smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 729034222 IFWAHIOELKFDGX-AWEZNQCLSA-N 465.528 2.313 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(C(=O)NC(C)C)c(C)c3)CC2)cc1 731285605 JCADJUMJFQSLEN-UHFFFAOYSA-N 495.624 2.409 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C(=O)NCC(C)C)cc3C)CC2)cc1 747992212 XLOHSPKDSFLXSA-UHFFFAOYSA-N 495.624 2.266 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 750126955 ULVRHEYMBBUXGD-SFHVURJKSA-N 487.578 2.116 10 20 JECD Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 788146148 HETOEEVZYJWJQT-UHFFFAOYSA-N 492.509 2.231 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)n2)o1 913077820 MRPCJXCYHWTLRO-UHFFFAOYSA-N 496.592 2.281 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)CC2)cc1 915894721 OESJBPBTHHQTPE-AREMUKBSSA-N 481.641 2.408 10 20 JECD Cc1ccc(-n2cnnc2SCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 916677455 YZWDJUBUSZBFKY-UHFFFAOYSA-N 471.608 2.219 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCc3cccc(S(N)(=O)=O)c3)cc2F)C[C@H](C)O1 918212220 XTAKPLCRDIOTNH-GJZGRUSLSA-N 450.536 2.086 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(OCC(=O)N(C)C)cc3)cc2F)C[C@@H](C)O1 918286492 IICGAUVFORKWPJ-CALCHBBNSA-N 486.544 2.161 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCNC(=O)c3cccs3)cc2F)C[C@@H](C)O1 918888949 FVTFWJZVRGPNPE-IYBDPMFKSA-N 477.558 2.480 10 20 JECD NC(=O)NCc1ccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919699626 TTXBSZCVYZVSSU-UHFFFAOYSA-N 463.517 2.041 10 20 JECD NC(=O)c1ccc(OCC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 920719878 KNLPXLRQMDYTOU-UHFFFAOYSA-N 458.426 2.122 10 20 JECD Cc1ccc(C(=O)NCC(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1 1317950108 UMWCTMSMGXILEX-HUUCEWRRSA-N 477.558 2.399 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)cc1 1779386978 MKGWUAYALILDFB-XMMPIXPASA-N 478.509 2.483 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cc(C(F)(F)F)ccn3)C2)C1 1779664149 IGLKBWJKJXPSPH-WYAMSBGYSA-N 493.438 2.374 10 20 JECD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)nn1C(F)F 1780307095 VMRXQNVGKCCZFS-HXUWFJFHSA-N 470.860 2.409 10 20 JECD CC(=O)N[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)C(C)(C)C 1781119362 HJEVIJAVPWUKIA-LJFZDNNRSA-N 496.004 2.430 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cccc2ccncc12 1781240515 UFWNOVHQKNMAAB-CJFMBICVSA-N 462.506 2.482 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)cc1 1781753366 HDOPTQIZPUKTBD-MHZLTWQESA-N 480.609 2.260 10 20 JECD Cc1ccc(C)c(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)c1 1781863757 UTFHRYVIZRUEJN-NTKDMRAZSA-N 489.663 2.220 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c3cnccc13)CCO2 1782006942 BJIJWFVCAVAORH-JOCHJYFZSA-N 456.886 2.385 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4c(Cl)cccc34)C2)C1 1782453751 DTPORFHNIPHRQN-JOCHJYFZSA-N 456.886 2.385 10 20 JECD Cn1ccc2cccc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)c21 1785505792 PRDSZRQWFJISKJ-AQBQYSGMSA-N 477.517 2.452 10 20 JECD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1791237164 CUQVEYRWYXRJRV-SVKXURNBSA-N 492.956 2.100 10 20 JECD C[C@H](Sc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1791581384 UOAFPBXHZIAGKA-MOYUDYGMSA-N 499.589 2.372 10 20 JECD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)ccc1F 1792221342 PTLZTHAZUDJHPJ-OUFAJUJOSA-N 486.496 2.258 10 20 JECD CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796602694 UOIJCXOUJJTIEC-ROMYGOLLSA-N 486.569 2.392 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COC(=O)C(F)(F)F)C3)cc1 1799620877 LMTWUZZJOYBQLZ-RMFSNUHRSA-N 493.482 2.403 10 20 JECD Cc1cncc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c1 1799767283 KBKKGKAGMFKQMU-UPHUGPLXSA-N 459.930 2.291 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C(F)(F)F)cn1)C2)c1cc(O)c(O)c(Cl)c1 1799768456 OODLLNHDWWKXDQ-CULMDFNYSA-N 486.834 2.077 10 20 JECD COc1ccc2[nH]cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)c(O)c(Cl)c3)c2n1 1799769181 QOXAJLYEPXIVAF-DBWKPXFBSA-N 486.912 2.153 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)Cc1ccccc1)C1=NN(c2ccccc2)C(=O)C1 1801793862 UMVSEBTWUXKTBU-SQMWVJLWSA-N 460.534 2.021 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)[C@H]1CCCCO1 1802588869 CZKBIOCNUNJOJS-BPUDTRNYSA-N 475.549 2.449 10 20 JECD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)nn1C 1803290327 BLTISINGZSFACK-OXOXJNMLSA-N 491.548 2.202 10 20 JECD CC(C)N1CCC(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)CC1 1804139414 GBKCRYNKOZNCIL-CVDCTZTESA-N 467.570 2.328 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1ncn(-c2ccccc2)n1 1804285884 KKOABUUWTHJCPA-YPGIMCOVSA-N 475.505 2.349 10 20 JECD Cc1nc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)no1 1804493783 WPYMPJBLOSCMSN-VLIAUNLRSA-N 471.901 2.400 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3cccnc3Cl)C2)CC1 1804661939 ZXLUOKVZLZCDKE-UHFFFAOYSA-N 467.016 2.440 10 20 JECD Cn1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)n1 1807516275 CGVZBNXOGFFLCN-BTYIYWSLSA-N 469.929 2.442 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994433 XBDCCCUQHPGLOF-XZOYJPPVSA-N 487.516 2.401 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2nccn2c1 1809411543 IRSPFLNJFIIKSL-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD COc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1811925885 JIAXDQLFKYDMSS-UTKZUKDTSA-N 484.603 2.270 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)C2CCC(O)CC2)[C@H]1c1cccnc1 1814167221 ZBIQBEUMHSKWDO-BJLBPGILSA-N 481.549 2.469 10 20 JECD COc1ncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cc1F 1816150520 GRCMDXGDFQOVDM-OAHLLOKOSA-N 456.434 2.378 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1ccc(=O)oc1 1816646999 JIOGSZHFUNINIW-WHWKNOJMSA-N 466.450 2.499 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822775544 VOODVHSUNJXNHK-CJNGLKHVSA-N 452.471 2.384 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3nc[nH]c3c2)[nH]n1 1823500245 XWUNZDBEAVXAOB-MRXNPFEDSA-N 483.579 2.452 10 20 JECD CCOCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1827131738 LROPHFRPCQQGOH-CQSZACIVSA-N 455.540 2.275 10 20 JECD O=C([C@H]1CCc2nc[nH]c2C1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428885 LRCJZOAHGBEGFC-OXJNMPFZSA-N 453.543 2.254 10 20 JECD O=C(/C=C/c1ccco1)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240672 YTMPIEATIORQOT-DUMNWFOQSA-N 462.578 2.222 10 20 JECD CCc1ccnc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1 1828242636 PFEXCSVVKJTSKS-GFCCVEGCSA-N 475.621 2.187 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(F)(F)Cl)CC1 1832900466 UKFMTJXCYIKZQS-GFCCVEGCSA-N 453.964 2.298 10 20 JECD O=C(Cc1ccncc1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902194 ZMMQJPHEQUYNAQ-SFHVURJKSA-N 460.625 2.104 10 20 JECD O=C(CCC1CCCC1)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1834671061 VVKWBMNXZNXHTD-AREMUKBSSA-N 482.581 2.206 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)CC1)c1cc(O)nc(O)c1 1834985425 OQPAZGNRNAVTTK-UHFFFAOYSA-N 464.566 2.410 10 20 JECD O=C(CCCCn1cccc1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1835799224 AYFPRMQJYPFLAX-UHFFFAOYSA-N 469.586 2.350 10 20 JECD CCc1ccnc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1838013611 OQQLIEWEYVZDEI-UHFFFAOYSA-N 454.527 2.376 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3cc(O)ccc3F)CC2)CC1 1838665421 WJHKUTZTFSRAJC-UHFFFAOYSA-N 495.598 2.004 10 20 JECD CN(C)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1838926001 VPKYYHAAGGWOTB-XMMPIXPASA-N 489.956 2.201 10 20 JECD C[C@H](Cc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881146 FFLSRCPWIDJWST-NYYQPMLUSA-N 496.560 2.152 10 20 JECD C=C(Oc1ccccc1O)C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1843412519 OZIWDNLAQFMWKJ-CSKARUKUSA-N 452.463 2.318 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)c1ccc[nH]1)C2 1844251720 SXPZQMJJAGRWLW-GOSISDBHSA-N 484.553 2.379 10 20 JECD CC1(C)CCc2cccc(C(=O)N3CC4(CCCN4C(=O)CN4C(=O)CSC4=S)C3)c2O1 1847054740 YMNPYNMOGCASRO-UHFFFAOYSA-N 473.620 2.468 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N3C[C@@H](C)O[C@H](c4ccccc4)C3)nnc2n1 109055894 XTFPTTFLIALOHU-ZBFHGGJFSA-N 456.576 2.464 10 20 JECD O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])NCc1ccc(N2CCOCC2)c(F)c1 725935521 PLDXMDKTZJKKHL-UHFFFAOYSA-N 453.373 2.322 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCC[C@@H](c4nnc5n4CCC5)C3)cc2F)C[C@@H](C)O1 728915850 VYEOLGZMFCQBCW-WSTZPKSXSA-N 470.593 2.473 10 20 JECD CC1CCN(c2ccc(CNC(=O)N3CCN(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)CC3)cc2)CC1 731048015 CKTLCTVZCZBRSP-OYRHEFFESA-N 493.674 2.104 10 20 JECD COCCCNC(=O)COC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 913360428 CRKAAPPJDCBVCL-ZROIWOOFSA-N 487.397 2.346 10 20 JECD Cc1cc(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c(C)n1-c1ccccn1 914906661 PKXSAWUKQPDTDO-CQSZACIVSA-N 468.535 2.271 10 20 JECD O=C(CN1CCC[C@@H](c2nnc3n2CCCCC3)C1)NCc1ccc(N2CCOCC2)c(F)c1 917049569 HOPMZLSYHCDMDQ-HXUWFJFHSA-N 470.593 2.476 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnnn3Cc3ccco3)cc2F)C[C@H](C)O1 917205407 GDFODTCHOCMQRX-GJZGRUSLSA-N 460.535 2.476 10 20 JECD COc1ccc(-n2c(C)cc(C(=O)NS(=O)(=O)c3cccc(-c4nnnn4C)c3)c2C)cc1 917441102 RUSACDPVWBGHDP-UHFFFAOYSA-N 466.523 2.412 10 20 JECD CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)N(C)Cc1ccccc1O 918444745 VVLCKCBIBUMVMM-UHFFFAOYSA-N 463.556 2.419 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N3C[C@H]4CCCN4c4ccccc43)cc2)C1 918466015 WAKBZTPNDGDIMR-TZIWHRDSSA-N 461.566 2.020 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 919969051 VTDFADBCYPTLCZ-UHFFFAOYSA-N 486.619 2.437 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1777712955 LIYZRIAAWNPQKI-QFIPXVFZSA-N 456.886 2.385 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1ccnc3ncccc13)CCO2 1782007317 CDVQGDWTRNMJRU-HSZRJFAPSA-N 468.897 2.452 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc(F)ccc1Br 1783741052 KYOJPRQOPVZCAH-KCTSRDHCSA-N 494.317 2.302 10 20 JECD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(C)c1 1785509986 KHCAXHZOYOPURI-JJZPWCRDSA-N 468.506 2.277 10 20 JECD CC(C)(C)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)s1 1785539444 CUVQSUXCGUUVPV-NRFANRHFSA-N 481.665 2.349 10 20 JECD Cc1cc2[nH]c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)cc2s1 1787294541 XBJNMVIFVSEZFZ-JDFRZJQESA-N 456.524 2.251 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)n4)[C@H]3C2)cc1 1787439530 SNCGMSBVFIQUNS-VCOUNFBDSA-N 491.548 2.202 10 20 JECD CN(C)C(=O)NCC(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788671036 FEQXADBOFXRZEK-UHFFFAOYSA-N 476.537 2.185 10 20 JECD C=C(Oc1ccccc1O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792219039 HRPPJNKAYIAJCA-BCTDBEARSA-N 496.516 2.095 10 20 JECD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2)C(=O)c1ccccc1 1793435481 RCNMYNMIDZICHE-WNOMTWJSSA-N 479.533 2.227 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1797668026 ATSYXJDPHMMNIX-BCEDRHLLSA-N 459.930 2.455 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799620696 QXANQQQKMNTIFV-IVDSKFSHSA-N 466.582 2.164 10 20 JECD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800712909 ZGKIBHNAJCTISU-JYYAWHABSA-N 497.976 2.279 10 20 JECD COc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1804915671 RSKXTUKFTOJZQD-IFXJQAMLSA-N 490.632 2.332 10 20 JECD Nc1nc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cs1 1807236707 LYVOFTJFOCZZSL-DNBICOFOSA-N 481.534 2.270 10 20 JECD Cc1nccnc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808467385 CVMINTJMLRWXIH-CYFREDJKSA-N 483.532 2.293 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3cc4cccnc4nc3O)CC2)C1 1810554727 WYJXJNHCMNMVJZ-UHFFFAOYSA-N 463.494 2.300 10 20 JECD Cc1nn(C)cc1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162461 SFNRRVPBBJACCS-XZSBDORCSA-N 477.521 2.273 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2c(c1)OCCO2 1817980695 ULWHUVREMUEVQL-ZDUSSCGKSA-N 468.491 2.260 10 20 JECD COC(OC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1824340856 XTPMCAWKUCLEOG-FQEVSTJZSA-N 456.543 2.018 10 20 JECD O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)NCc1ccco1 1827428367 PJDHLOJWDKZUPX-YJJPMGAVSA-N 482.537 2.192 10 20 JECD Cc1cncc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)c1 1834229736 STMBJRTYNQTFJI-HWKANZROSA-N 480.565 2.405 10 20 JECD Cn1nccc1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837488356 PIXUMQWFKDEBQS-UHFFFAOYSA-N 462.934 2.411 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)cc(F)c1)CCO2 1839003169 RWDQEFQUDXBWOO-QFIPXVFZSA-N 482.867 2.413 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCO4)C3)C2)cc1 1839348125 CFYIYEIVAONGSY-OZXSUGGESA-N 467.566 2.343 10 20 JECD O=C(c1ccc2nccnc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433719 AARTYDPXJRYXJS-XMMPIXPASA-N 498.923 2.078 10 20 JECD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1840895553 XWKROMJGVSFSBV-SCADDTHXSA-N 482.533 2.077 10 20 JECD Cc1cc(C(=O)CSc2nnnn2Cc2ccco2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 11310655 IWGFKBUSTVKXGP-UHFFFAOYSA-N 472.552 2.344 10 20 JECD CC(C)N[C@H]1CCCN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)C1 731033179 WMNHMUAOQPVFRY-PBGVMVHZSA-N 490.651 2.195 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1F 747011722 JGTOZTGIGWDNBQ-JOCHJYFZSA-N 468.529 2.315 10 20 JECD CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 747017610 SNJJJBWREXEBJV-UHFFFAOYSA-N 456.568 2.108 10 20 JECD CCc1nc(SCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)n[nH]1 899451291 LKWILPWERDKIKB-ZSOIEALJSA-N 477.593 2.206 10 20 JECD CN1CCN([C@@H](CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2cccs2)CC1 918117383 DDUSCAVJDSJHRD-IRLDBZIGSA-N 484.670 2.238 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H](CN3CCOCC3)c3ccccc3)cc2)C1 918118876 VSBRQOXISOUEHA-ISKFKSNPSA-N 465.598 2.261 10 20 JECD CCN(CC)Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 918464568 BCJQVZABVQEHFO-OAQYLSRUSA-N 465.598 2.485 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2F)C[C@H](C)O1 918946530 WZMOTQUXFXCPTK-GJZGRUSLSA-N 499.461 2.479 10 20 JECD O=C1NC(=S)NC(=O)C1=CNc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 920978735 NWIGLGHQABURBT-UHFFFAOYSA-N 487.453 2.375 10 20 JECD COc1cc(C)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1OC 1777852620 ODDKMWUCHRVDOR-CJFMBICVSA-N 485.537 2.260 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cscn1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126108 HIPLQBMVFTZFOC-AUSIDOKSSA-N 467.551 2.064 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccnc2ccccc12 1778428420 YUDDCHWJGKBDPJ-CJFMBICVSA-N 462.506 2.482 10 20 JECD C[C@@]1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)CC1(F)F 1783150511 AWXQCIMFHXIBMK-OEYZGZHASA-N 466.481 2.376 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1784469186 CPPZRYOIAGQBHB-WLUFRXNBSA-N 465.506 2.145 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)C1(c3ccccc3)CC1)CCO2 1785503237 DOWFPRPIWFOTGF-PMDNVAFQSA-N 464.518 2.378 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)CCO2 1785547126 XXTQGRXVWHMHCU-NJSLBKSFSA-N 493.573 2.045 10 20 JECD O=C1NC[C@@H](C(=O)NC2(c3ccc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)cc3)CCC2)O1 1788671293 OGKWFEFCKHRRDJ-IBGZPJMESA-N 461.478 2.022 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(F)cc3)C[C@@H]21 1792219086 YTZBMEXPBPWRNB-MIGYXXLQSA-N 486.496 2.014 10 20 JECD CNc1nsnc1C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792314684 OKMQBIZUIHJLAE-UHFFFAOYSA-N 476.609 2.188 10 20 JECD O=C(COc1ccc(Cl)c(Cl)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1795192830 FFGVHBAAYAURMO-NXCRSVRDSA-N 482.320 2.082 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1ncsc1Br 1796601263 LWXKCZDGVNNUEG-JGPRNRPPSA-N 453.318 2.277 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1n[nH]c2cccc(F)c12 1800079502 DBHNKISUEOUBIX-KSPBDQMDSA-N 474.876 2.284 10 20 JECD Cc1nn2cc(CC(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)/C=C/c3ccc(O)c(O)c3O)nc2s1 1804282734 BUUFFFLTDVOQQS-SATNDUHCSA-N 483.550 2.110 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnn(-c3cccnc3)c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991261 OSLPPVSCXKKSFW-GAJHUEQPSA-N 485.504 2.102 10 20 JECD O=C1Cc2cccc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c2N1 1807998229 AZGTVZGYNJAKPM-MWTRTKDXSA-N 473.489 2.016 10 20 JECD COc1cscc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1808812751 OXFJOIJWGQGAIS-KUHUBIRLSA-N 490.632 2.332 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc2ccccn2n1 1809057368 MTDKKZUXFPOYPW-AOMKIAJQSA-N 458.478 2.169 10 20 JECD Cc1cnoc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1811242508 WHFAESSHGFFNHC-PGRDOPGGSA-N 472.505 2.491 10 20 JECD CC(C)(C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162885 XSTLUUIFPKFVNK-MUSRZPKOSA-N 469.538 2.325 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(-c3cccnc3)[nH]n1)CC2)c1cc(O)nc(O)c1 1816726218 RUKDRFHBQCFJDL-ZDUSSCGKSA-N 477.506 2.274 10 20 JECD Cc1cc(C)n2ncc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)c2n1 1816726240 TYVIOBCJHFZUCP-ZDUSSCGKSA-N 479.522 2.148 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)C1=COCC1 1817367240 UEUJGZDWHDZHPM-CQSZACIVSA-N 451.508 2.152 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)C2(Br)CC2)[nH]n1 1823499814 ZDTZSSWWWXLEPJ-LLVKDONJSA-N 486.417 2.190 10 20 JECD CCOC(=O)O[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1824600385 ASASKAKDAHIMSG-ZIAGYGMSSA-N 499.549 2.410 10 20 JECD Cc1nn(C)cc1C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828195243 JPOIZOUMHGMCKT-FLUIGGAXSA-N 469.523 2.241 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnn3ccncc13)CC2 1828198817 KUQOFGFTKUXSPN-NHEDYWLLSA-N 492.517 2.242 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)ccn1)CC2 1828244578 KKAYXOKUEUYYOB-JTQLQIEISA-N 482.012 2.278 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3C=CS[C@@H]23)CC1 1831159797 KEOJDNNILLMSKH-ILRDRHFLSA-N 465.666 2.342 10 20 JECD O=C([C@H]1Cc2ccccc2O1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902828 YVPFFVRTEGQHMY-AZUAARDMSA-N 487.647 2.470 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)s1)CCO2 1834059194 PYMKSUGNLCUWTH-KSBKHAFUSA-N 494.953 2.302 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CSc3ccccc3)CC2)CC1)c1cc(O)nc(O)c1 1834988001 HCTDKANWJPVXLX-UHFFFAOYSA-N 470.595 2.470 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)[C@H]2Cc3[nH]nc(C(F)(F)F)c3C2)C1 1845859151 JRDLWHYCEUGFCH-MASHWEEQSA-N 492.454 2.177 10 20 JECD CCN(CC)[C@@H](C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1)c1ccccc1 1847055224 MGHDKMNKOWBZBM-HXUWFJFHSA-N 474.652 2.133 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cc2cccnc2Cl)=NN1c1ccccc1 1848135054 DKIGMXFOKNOHKF-OALUTQOASA-N 451.914 2.272 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)cc2F)C[C@@H](C)O1 726277344 MLIOFMWFKVSGIK-SVMVAKDDSA-N 463.598 2.181 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)c1 729062488 CAMYSIKPKYZVAU-HNNXBMFYSA-N 461.478 2.074 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)cc1F 731409184 MSOVOJMVVMXLGC-UHFFFAOYSA-N 496.587 2.380 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)cc1F 731409514 UZXDBLOGNVAVIE-UHFFFAOYSA-N 455.490 2.325 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(NS(=O)(=O)c2cccs2)CC1 809930995 CIWDUXQQFILPLP-UHFFFAOYSA-N 450.630 2.215 10 20 JECD CNC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cn1C 914791433 QFABXCGDCOYUEE-UHFFFAOYSA-N 453.571 2.007 10 20 JECD O=C(COC(=O)Cn1c(O)nc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 915402678 XGYKNOWGFYELSW-UHFFFAOYSA-N 483.436 2.059 10 20 JECD CC(=O)N1CCN(c2ccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2[N+](=O)[O-])CC1 917709716 WPQOZAGQBCRLKO-UHFFFAOYSA-N 485.516 2.169 10 20 JECD Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918436805 DYIBXKPEGFZPQV-UHFFFAOYSA-N 470.545 2.187 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(-n4cnc5ccccc54)nc3)cc2)C1 918466317 ZKSCSYREJCMWIO-LJQANCHMSA-N 497.559 2.377 10 20 JECD COC(=O)c1ccc(CS(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919730102 NXPBZTNIPKEYCS-UHFFFAOYSA-N 499.568 2.349 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3cc(OC)c(OC)c(OC)c3)CC2)cc1 920253214 UTSWDGUASZXBEY-KTKRTIGZSA-N 469.538 2.242 10 20 JECD Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 928980687 GEWTYEVPKOLABG-FYJGNVAPSA-N 452.490 2.387 10 20 JECD Cc1ccc(OC(C)(C)C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)nc1 1777852853 XXUMIXLPSNGQIX-IQGLISFBSA-N 484.553 2.181 10 20 JECD C[C@H]1C[C@]1(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127708 VDYLQLMSANDBHZ-CIQZPUONSA-N 452.555 2.339 10 20 JECD COCC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)CC1 1781119656 UBYLDXXQWUZVFK-VGOFRKELSA-N 452.935 2.305 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccccc13)CCO2 1782005514 KXOWTQLIYFBNOI-JOCHJYFZSA-N 456.886 2.385 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cnc(Cl)nc1 1783379725 STKPHWBUMZQPFJ-NKFCBESUSA-N 467.309 2.102 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1scnc1C1CC1 1794511202 NWRFAWVLTKXGJB-DOMITNGFSA-N 471.535 2.054 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccc(F)cc3)CC1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480380 CIOASWOKUKPQNA-MRSFGVLCSA-N 490.535 2.240 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccncc1C(F)(F)F 1796625955 DAEGOSDTSRZNEP-IEEJQYOHSA-N 493.438 2.134 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(C(F)(F)F)cc1F 1801851305 BUTNMXYBTHLLSP-KSPBDQMDSA-N 469.391 2.168 10 20 JECD Cc1cccc(CCC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)n1 1804294223 JYUMHIBOSYCINE-JPYJTQIMSA-N 497.646 2.284 10 20 JECD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)ccc(F)c1F 1804340141 JFAUJKDSTBIDIO-CLLJXQQHSA-N 453.536 2.385 10 20 JECD COc1cc(CCC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccn1 1807993892 PTAMJPHBLIHSJW-MHECFPHRSA-N 477.521 2.244 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2nccc3[nH]ccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994453 SAOAIGTZWOUCBN-QRQCRPRQSA-N 458.478 2.398 10 20 JECD Cc1cc(C)n(CC(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n1 1808465463 VELFPAVLZGILRC-LVXARBLLSA-N 499.575 2.394 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cn2ccsc2n1 1809935497 WSELYKGJCWDWHR-LIRRHRJNSA-N 464.507 2.230 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccnc1S 1814450580 XGERNVIGQWVXAN-CYBMUJFWSA-N 476.609 2.260 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cncn1-c1ccncc1 1816222240 KWYDAVWTDDZSIZ-QGZVFWFLSA-N 474.481 2.416 10 20 JECD O=C(CC1(O)CCC1)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367056 QSRGBVKNJIETSQ-CQSZACIVSA-N 467.551 2.153 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1cc(O)nc(O)c1 1817845471 NCXLPTBVURTMSS-GOSISDBHSA-N 489.492 2.315 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cnccn2)[nH]n1 1823477042 YAKDAZGXKUGAJM-QQOXCAACSA-N 464.482 2.265 10 20 JECD CSc1ncccc1C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828247545 XVOAAWZVYGOZSX-JTQLQIEISA-N 493.661 2.346 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1cc(F)ccc1F)CC2 1828249429 HIIFONKHYTWXOC-LBPRGKRZSA-N 496.586 2.436 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)c2ncon2)CC1 1829503181 JTBCOPXYBSKVAB-IBGZPJMESA-N 450.499 2.096 10 20 JECD CC(=O)N/C(C)=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1831079393 VRURIANVFFWFFB-NGIFANIDSA-N 479.581 2.439 10 20 JECD O=C(CCc1cccnc1)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1834886764 ANNDUPLTGPFNFD-VMPITWQZSA-N 494.592 2.416 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)CCC3CCCC3)C2)C1 1840880463 QFRWSXCVMPNRER-HJKZNEBBSA-N 474.554 2.243 10 20 JECD O=C(N[C@@H]1CCC[C@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)OCc1ccccc1 1845034657 ZBSQMCRTMXNLGQ-WOJBJXKFSA-N 494.548 2.405 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CCc3ccccc3[C@H]2O)=NN1c1ccccc1 1847598166 ONVWPHBBPOLPIB-ALJFMCDRSA-N 472.545 2.277 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2C)cc1 748916297 HPEWMOAVAUMPAY-UHFFFAOYSA-N 467.434 2.377 10 20 JECD COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)CC2)cc1 757451569 ULCJDBDHRUDEMS-VWLOTQADSA-N 450.539 2.287 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(S(N)(=O)=O)ccc1Br 771214264 QMQQCXYVRIEIEI-UHFFFAOYSA-N 468.373 2.205 10 20 JECD C[C@@H](OC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)C(=O)N1CCNC1=O 913364218 XLGRPEIEVICKSQ-GARZTLJTSA-N 498.380 2.134 10 20 JECD C[C@H](OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 918001305 IOFGOHILYAMLMA-WHDAMIPWSA-N 489.484 2.053 10 20 JECD COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 918437753 AGBBSYVOPNLMIQ-UHFFFAOYSA-N 498.555 2.429 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N3C[C@@H]4CCCN4c4ccccc43)cc2)C1 918466012 WAKBZTPNDGDIMR-CTNGQTDRSA-N 461.566 2.020 10 20 JECD Cc1ccc(-c2nnn(CC(=O)OCC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)n2)cc1 918916579 UJHIUVZZOLUJCP-HDICACEKSA-N 496.543 2.261 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCN(c2ccncc2)CC1 919782783 NLNTWNOPJDWDQF-UHFFFAOYSA-N 476.560 2.369 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 920189347 UDYSBVOPIBKVQM-UHFFFAOYSA-N 472.611 2.365 10 20 JECD C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)Nc1cccc(N2CCCC2=O)c1 920638422 ZGTFMJRQAAGMCQ-CYBMUJFWSA-N 461.496 2.075 10 20 JECD COCCN1C(=O)/C(=C/Nc2ccc(C(=O)Nc3ccccc3OC)cc2)C(=O)NC1=S 920976610 LZRVBAKQIKAVBN-DTQAZKPQSA-N 454.508 2.133 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)cc2F)C[C@H](C)O1 921031697 PXHYLTOYEAFIPF-HOTGVXAUSA-N 496.630 2.435 10 20 JECD CCn1c(/C(Cl)=C\c2cn(C)c(=O)n(C)c2=O)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1317798190 OQBWMBZDTBHCNR-SFQUDFHCSA-N 492.001 2.365 10 20 JECD Cn1ncc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1Cl 1783221621 IEZDRAFLODNQGY-RYNBQMKOSA-N 490.944 2.031 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1785510678 XVSBEBOWJRIGQC-KKWHGVOKSA-N 488.924 2.034 10 20 JECD CC(C)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)C(C)C 1786963430 WCCWLEMCIXEKNW-QHERXFFYSA-N 467.994 2.367 10 20 JECD CN(C)[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1)c1ccc(Cl)cc1 1787294137 CHUKFHWWWWAVAR-SXTKRDDTSA-N 488.972 2.042 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ccc(F)cn34)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790246235 TUWARYJEZCYTOH-ODYMNIRHSA-N 488.903 2.445 10 20 JECD O=C(Cc1ccc2ncnn2c1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1790376934 UJOPKVXZAZUPNA-UHFFFAOYSA-N 494.602 2.266 10 20 JECD O=C(Cc1cc(F)ccc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1792136588 AOLIFSANHCQYAV-XYNFECSZSA-N 488.487 2.317 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCC(F)(F)F)c(F)c1)C2)c1cc(O)nc(O)c1 1796140346 MIWWCRGKLMWBQC-HBCWATKFSA-N 499.417 2.090 10 20 JECD CSc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1O 1798564477 YYNWPPWSFYJHGJ-SYSDTLGTSA-N 486.546 2.148 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)n(C)n2)C3)cc1 1799619908 JGHQXRBFLIJCFL-BBIADKPPSA-N 463.538 2.050 10 20 JECD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)nn1C 1803290321 BLTISINGZSFACK-MOQNJDDVSA-N 491.548 2.202 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)Cn3nnc4ccccc43)C2)CC1 1806517124 SMMBBMZSXIPTRA-VQHVLOKHSA-N 491.548 2.493 10 20 JECD Cc1cc(C)nc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1807818150 MXNHVDMSYDEAQX-UTKZUKDTSA-N 483.619 2.273 10 20 JECD N=C(N)SCCC(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)C1 1809759115 BDQFNQIHOVHPIE-HWKANZROSA-N 462.572 2.065 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)C1 1810546461 GIYKKLAQHGLSPL-UHFFFAOYSA-N 462.510 2.437 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc(O)cc1F 1811072358 BAFMSAUUXFSYBE-XOBRGWDASA-N 488.566 2.106 10 20 JECD CCn1ccc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1814162796 QACWGXBSDLZKKJ-VSEMJTJDSA-N 477.521 2.448 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)COC2CCCCC2)[C@H]1c1cccnc1 1814186105 WZIRKVWJHCSQTR-VGSWGCGISA-N 490.651 2.297 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](N)CN)sc3C2)cc1 1817074241 ZBBLASALIHQXGX-AEFFLSMTSA-N 452.584 2.062 10 20 JECD Cc1nc2ccccn2c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1818085356 JXVMKKUDURQAKL-CYBMUJFWSA-N 464.507 2.445 10 20 JECD Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)c(C)n1C 1821117936 JPPLQHJODRKRTC-LBPRGKRZSA-N 477.637 2.185 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccoc2)[nH]n1 1823501495 ROGXREJPROUWGU-HNNXBMFYSA-N 461.569 2.488 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)CCc1ccc(F)nc1)CC2 1828239676 BILJDSVIESWSFB-GFCCVEGCSA-N 493.611 2.082 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)C1(C(F)(F)F)CC1)CC2 1828244889 WFOAAYZEATVTRC-QMMMGPOBSA-N 478.543 2.258 10 20 JECD O=C(/C=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1833078374 GUJCNFSIZWGSNR-SIAOZKNOSA-N 462.886 2.128 10 20 JECD CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1834753431 KGYPNOUFDYLYJY-USLFTCRASA-N 496.560 2.467 10 20 JECD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)N1C[C@@H]2C[C@H]2C1 1835672268 CWFXPMPZSFCJCH-NJAFHUGGSA-N 491.032 2.277 10 20 JECD COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)c1 1839431785 MWIZAQZTYMYJBR-DEOSSOPVSA-N 490.940 2.073 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)C3CCC(F)(F)CC3)C2)C1 1840879766 DVOPOBPLPAPLAC-KFVKGYIZSA-N 496.507 2.099 10 20 JECD O=C(c1cnc(-c2ccccn2)nc1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441250 HHVHJOGQGWWNQG-UHFFFAOYSA-N 481.516 2.149 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2c(C(F)(F)F)nc3ccc(F)cn23)C1 1845723671 OKXJSFORAKFTIC-UHFFFAOYSA-N 479.390 2.429 10 20 JECD CC(=O)N1CCCc2cc(NC(=O)C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)ccc21 750354797 UJJGTLHXRSSTRK-UHFFFAOYSA-N 450.539 2.419 10 20 JECD COc1ccc(N2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)CC2)cc1 913461798 SOMBJJHGGWIBMR-UHFFFAOYSA-N 454.346 2.068 10 20 JECD COc1ccc([C@@H](CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)N2CCOCC2)cc1 918118517 TWFQYOHHCHPYAO-RCZVLFRGSA-N 495.624 2.270 10 20 JECD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 918455884 GNSQNOYDELWCNR-UHFFFAOYSA-N 460.556 2.064 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cc3nnc(O)c4ccccc34)cc2F)C[C@@H](C)O1 918952112 DZPCWUKDLBCBDH-IYBDPMFKSA-N 482.512 2.490 10 20 JECD Cc1cc(C(=O)COC(=O)c2cnc3ncnn3c2C(C)C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 919271611 MSLRERZATBXUBZ-UHFFFAOYSA-N 496.549 2.342 10 20 JECD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 920905724 LHARPTLBNBRVAO-UHFFFAOYSA-N 462.418 2.447 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cccc3ncccc13)C2)c1cc(O)nc(O)c1 1777849475 WJXCLLQXXKVDNO-QFQXNSOFSA-N 476.533 2.411 10 20 JECD Cc1ccc(C)c(OCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1 1777849706 YPGZZBMJPWYMQE-CJFMBICVSA-N 469.538 2.316 10 20 JECD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)n1cccc1 1782447715 WKFOUDLPNXPALY-XTZQLVCWSA-N 469.538 2.393 10 20 JECD Cc1ccc(F)cc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785503292 HFTUAVMOSNSLIR-BSBODGDASA-N 456.470 2.408 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3Cl)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539671 OLUQISIUUIXXAK-XERREHJYSA-N 481.940 2.121 10 20 JECD Cc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)s1 1787766356 MHNWKVXQKRJBRF-RBOXIYTFSA-N 451.932 2.423 10 20 JECD CCOc1ccc(Cl)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1790121257 BCTVTBVBQBWTGM-IXDGSTSKSA-N 475.929 2.452 10 20 JECD CC(=O)Nc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)ccn1 1796934341 ILSBCFQKTIBDQU-FNLKRUPLSA-N 474.521 2.085 10 20 JECD Cc1nc2ccccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799768498 SVBUWEJRQPVWOE-CCWDJLKJSA-N 470.913 2.224 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@H]1CCc2ccccc2C1 1800678229 DLMJMTKSGJMGIO-IFOBJOEFSA-N 486.572 2.174 10 20 JECD Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)n1 1800718253 RDPXAQQSCDMTDC-MUJYYYPQSA-N 474.945 2.303 10 20 JECD COCC1(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)CC1 1803537239 GZSLMVGXMAOKMR-CVDCTZTESA-N 475.549 2.307 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804283455 WPMYJZWACLUBDZ-ZCXXSHFCSA-N 475.542 2.368 10 20 JECD COc1cccc2c1C[C@@H](C(=O)N[C@@H]1C[C@@H]3CC[C@H](C1)N3C(=O)CN1C(=O)CSC1=S)CC2 1804336408 VLZMFZFRNLAOJU-FJIDUMEYSA-N 487.647 2.299 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1cccc(=O)n1O 1804951787 KCVMNLHSBBYPAE-XOBRGWDASA-N 484.896 2.179 10 20 JECD Cc1ccc(OCC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1806675493 RHKAMYIIMXVDRQ-MBSDFSHPSA-N 498.630 2.335 10 20 JECD O=C(NC[C@H]1CCN(C(=O)[C@H]2CCCO2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808467441 GWASKFZCHJKLEJ-JMUQELJHSA-N 461.522 2.059 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2CCCCC2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468490 REZZOCYRXNRRQE-QFQXNSOFSA-N 488.592 2.366 10 20 JECD COc1cscc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1808812747 OXFJOIJWGQGAIS-AUUYWEPGSA-N 490.632 2.332 10 20 JECD Cc1cc(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)ncc1[N+](=O)[O-] 1810552263 UOXHFYIUYWQDEU-UHFFFAOYSA-N 455.471 2.263 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3nccc4[nH]ccc34)C2)CC1 1810655787 NVRTUAFBOLOTPT-UHFFFAOYSA-N 471.608 2.268 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])[nH]1 1811620617 YUQVFDKAEJPNBY-HUBAVIMESA-N 493.476 2.468 10 20 JECD Cc1nc(F)ccc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814189439 HSSKMZNYZHKHFH-MGPUTAFESA-N 487.582 2.104 10 20 JECD Cc1cc(C)n(CC(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n1 1817362915 BCBLYVWQYWTJCT-INIZCTEOSA-N 491.577 2.362 10 20 JECD Cc1cc(/C=C/C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)no1 1819475793 ZQACQBCNSZKPFH-LLYBFZRZSA-N 474.568 2.272 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1 1823497750 YXQWSFDFZUEKPG-LLVKDONJSA-N 478.512 2.077 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cn3ccccc3n2)[nH]n1 1823498225 OGZCIISLKLSWPR-OAHLLOKOSA-N 483.579 2.224 10 20 JECD Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cc(O)n1 1827626536 RFQNUKLZWKOMSN-KRWDZBQOSA-N 476.624 2.189 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1onc3ccccc13)CCO2 1839545889 DJWVICNGJBSKTI-HSZRJFAPSA-N 487.896 2.276 10 20 JECD O=C(Cc1ccc(F)cc1F)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1839979690 CCYWBZDZVIPPJO-QHCPKHFHSA-N 496.894 2.342 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cn3c(F)cccc3n2)C1 1845647134 UFGYSGWYTDZLEY-UHFFFAOYSA-N 460.469 2.083 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc(Cn3cncn3)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 14148392 WNXYGKSJNJIRLG-UHFFFAOYSA-N 493.545 2.421 10 20 JECD COc1cccc2c1OCC(C(=O)OCC(=O)NCc1ccc(N3CCOCC3)c(F)c1)=C2 725976318 JOPRCBJLEYJHJU-UHFFFAOYSA-N 456.470 2.306 10 20 JECD CCN(Cc1ccccc1)C(=O)CNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 726241468 XSFGHHKOBFECGM-UHFFFAOYSA-N 453.587 2.165 10 20 JECD CCCCn1c(N)c(N(Cc2ccccc2)C(=O)COC(=O)c2ccc(C)c(O)c2O)c(O)nc1=O 727004575 YFECGXIVZILZLS-UHFFFAOYSA-N 496.520 2.441 10 20 JECD Cc1c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nnn1-c1ccccc1Cl 728859770 FIPYPDIHTZVRKZ-UHFFFAOYSA-N 459.959 2.394 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cc(OC)c(OC)cc3F)CC2)cc1 730678912 SVZBTCNARMRYLT-UHFFFAOYSA-N 474.533 2.119 10 20 JECD CC1CCC(N2C[C@@H](C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2=O)CC1 731383545 QZZFTLUYNFSPQT-SYYJFZTOSA-N 475.561 2.249 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCc3ccc(N4CCCC4=O)cc3)CC2)cc1 742948182 NUMNHTUMHANENF-UHFFFAOYSA-N 451.571 2.443 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)CC2)cc1 743306132 XBEGAOGQJKQRKE-UHFFFAOYSA-N 491.589 2.318 10 20 JECD CNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 915416585 GUFDYYZTJZMIPJ-GFCCVEGCSA-N 482.470 2.147 10 20 JECD Cc1cc(C)c2c(N)c(C(=O)OCc3nnnn3-c3ccc(S(C)(=O)=O)cc3)sc2n1 918992197 AOVQIFGHYGOTEO-UHFFFAOYSA-N 458.525 2.232 10 20 JECD Cc1oc2ncn(C)c(=O)c2c1C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 919017999 RLGUVSARLGNQRH-KBPBESRZSA-N 486.500 2.061 10 20 JECD Cc1cc(C(=O)COC(=O)CCn2cc(Cl)cn2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 919572216 PTJLGFSANMOYTK-UHFFFAOYSA-N 464.931 2.408 10 20 JECD Cc1cscc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1778225980 HXPQRVNURXCIDX-FOIQADDNSA-N 467.638 2.044 10 20 JECD COc1nc(C)ccc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1779743581 NNRJLUCUQOSVIM-JOCHJYFZSA-N 461.902 2.221 10 20 JECD CC(C)n1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)n1 1780211592 YEQYNWIJQFUAAN-OOSRFHLNSA-N 484.553 2.422 10 20 JECD CN(C)c1cncc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1 1783220141 SEDKQMHKIMWVDG-YRHVXKOMSA-N 496.564 2.105 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)ccc1F)C2 1783221889 QCCNOKBODFUYMQ-XYUUTWJASA-N 486.496 2.489 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1784549029 XPPPYXVKVDRISX-RCDICMHDSA-N 461.902 2.057 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCNC(=O)C4)C[C@@H]32)cc1 1790126087 QVYKGQVRJGAZNR-WMIMKTLMSA-N 478.593 2.214 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cscn3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243512 SDJXAHUVHIIMPS-YLVFBTJISA-N 451.932 2.044 10 20 JECD Cc1ccc(O)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1 1792217596 BKYGIOXSNCIXQX-GAIIMQAISA-N 468.506 2.124 10 20 JECD CO[C@](C)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cccc2ccccc12 1792452534 GTXBTGJNLAXKGV-FSKFMFSLSA-N 491.544 2.411 10 20 JECD Cc1nc2ccccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1796836844 IKHIJXBMEPBSJM-CCWDJLKJSA-N 470.913 2.224 10 20 JECD COC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1799622299 DTPVGCNMUBDCAN-VTYHHJSWSA-N 465.550 2.251 10 20 JECD COC(=O)CSCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1803575479 GQOGKPITOYEWHO-JLTOFOAXSA-N 493.969 2.372 10 20 JECD CN(CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2)C(=O)OC(C)(C)C 1804392445 DACMPHBWJGUMAN-MUJYYYPQSA-N 498.671 2.132 10 20 JECD Cn1c(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)cccc1=O 1805312313 CSVFWROVTJFMGX-YCRPNKLZSA-N 482.924 2.478 10 20 JECD CCn1nccc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1805911625 FQFWDLVSTAKQNY-CYFREDJKSA-N 485.548 2.411 10 20 JECD O=C(Cc1cccs1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1807551762 YVSQHFWIBQBWHV-YWZLYKJASA-N 474.633 2.252 10 20 JECD Nc1ncc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)s1 1808467974 LOBRBKZPSLEZFS-IIBYNOLFSA-N 489.561 2.233 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](O)CC2)[C@H]1c1cccnc1 1813192720 MJQROGSJQNOZTM-LNGRBJHKSA-N 481.549 2.469 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814189648 VBLJCEXUSAFTGZ-PYQAKABTSA-N 460.625 2.384 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cc(Cl)ccn2)[C@H]1c1cccnc1 1814189775 YGDRKDKJJFHVAY-KUHUBIRLSA-N 490.010 2.310 10 20 JECD O=C(CCN1CCCC1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814270402 WDGGLBCGSNERTR-NKNFQMRTSA-N 480.565 2.404 10 20 JECD C[C@H](Nc1nccs1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816724737 DYBLUUWPZQDIMJ-ONGXEEELSA-N 460.541 2.132 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc3c(c2)OCO3)[nH]n1)c1cc(O)nc(O)c1 1817844967 QILYJKMRVIURNS-MRXNPFEDSA-N 465.466 2.493 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1824531954 QLQKNPSGUZYRJP-QFIPXVFZSA-N 481.597 2.314 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CC3(F)F)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132853 SMXADCGOCUFLEX-IBGZPJMESA-N 473.524 2.006 10 20 JECD CCn1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)n1 1843330976 WVQYLOCEEHRKQK-OAQYLSRUSA-N 496.612 2.438 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 15537788 OUYUAIFPQSZUEO-UHFFFAOYSA-N 486.594 2.494 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 18150742 KVSJIZSFQZOEIZ-UHFFFAOYSA-N 457.600 2.481 10 20 JECD C[C@H](NC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1)c1ccc(N2CCOCC2)cc1 728597094 KKJKBQBPFOTSIZ-FQEVSTJZSA-N 457.619 2.360 10 20 JECD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 728837114 ODVXJDJEUKUUBD-UHFFFAOYSA-N 498.527 2.078 10 20 JECD CC(C)N[C@@H]1CCCN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)C1 731033177 WMNHMUAOQPVFRY-LELXDKESSA-N 490.651 2.195 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3nn(-c4ccccc4)c(C)cc3=O)CC2)cc1 792554664 DLUQLTLBTVGRSL-UHFFFAOYSA-N 462.506 2.055 10 20 JECD COc1ccc(C(=O)N2CCN(C(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)CC2)cc1 916196435 GNNGJHMEMISECZ-UHFFFAOYSA-N 495.624 2.384 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 918245778 FTVVANUIWUDUHI-JOCHJYFZSA-N 450.539 2.176 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1 918430343 XYLLTZBBUAKTSI-UHFFFAOYSA-N 495.624 2.461 10 20 JECD CC(=O)N[C@@H](CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccs1 918890709 PGLBKBRUMBRLNG-SFHVURJKSA-N 463.531 2.151 10 20 JECD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1C 920196347 QJZWUWFDRQXLFJ-UHFFFAOYSA-N 488.610 2.117 10 20 JECD COc1ccc2c(/C=C/C(=O)N3CC[C@@]4(C3)CN(C(=O)c3cc(O)nc(O)c3)CCO4)c[nH]c2c1 1778120635 IYOVJWAWWFTSKN-BEOTYTMOSA-N 478.505 2.140 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cccc(-c2cnccn2)c1 1780094398 RQFJPWSXXSUANX-QFQXNSOFSA-N 489.532 2.391 10 20 JECD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1N(C)C 1781127822 IOBNOVZDOXCGGH-KXZPLDGJSA-N 497.548 2.035 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007880 ZRRWTPQOWSITNA-FPTDNZKUSA-N 460.918 2.090 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)C2)C1 1785391171 KBDDUSYQAHTQRB-PJIJBLCYSA-N 493.573 2.045 10 20 JECD CC1(C)CCC(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)CC1 1792239692 FPYIZMPDWYRNFG-BZSNNMDCSA-N 481.684 2.433 10 20 JECD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1C 1793799002 UVRNWPNEPYOGAS-HJGDSWMPSA-N 466.534 2.266 10 20 JECD CN(C)c1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1794597799 WYHGLCFNQRIDBA-DTUWPTEXSA-N 452.511 2.230 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)C1CCN(c2ccc(F)cn2)CC1 1796604036 CHDPWGKTTQHROU-REPLKXPHSA-N 469.517 2.195 10 20 JECD CC(=O)N[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1cccc(Cl)c1 1796604898 WBMCSPOPFJRYMG-BMQTXXJKSA-N 472.929 2.275 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc[nH]c2cc1F 1799276022 CWLKVDDDVHKLME-BTTYYORXSA-N 460.556 2.419 10 20 JECD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n(C)n1 1799620279 VXMZSJYWWVQRSL-IRJINJETSA-N 477.565 2.353 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(O)nc(O)c3)C4)C[C@@H]2C1 1801864415 RNZVUVCWWHVRJH-NCRMQOBRSA-N 486.569 2.392 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1ccc(O)cn1 1806105059 FBLBASCZSJFATI-KOSHJBKYSA-N 484.516 2.295 10 20 JECD COc1ncccc1CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807994429 WZAQULVZXPULKI-WZONZLPQSA-N 477.521 2.244 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)C1 1807996531 UQDVZAFQODXAGM-KKSFZXQISA-N 497.552 2.074 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807999702 MVNSOHGIPMLVFU-QRQCRPRQSA-N 493.476 2.443 10 20 JECD O=C(NC[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3N2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001580 URBRGXMSRYKTFC-DHJUGAMNSA-N 459.506 2.244 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2c[nH]nc2c1 1808050190 GQJYDMNGZMQCCG-HTAPYJJXSA-N 458.478 2.398 10 20 JECD Cc1ccn2ncc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c2c1 1808161534 CKYSWXCUMWTCOD-SBUREZEXSA-N 472.505 2.477 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2c2cccnc2)cc1 1811273251 OLVVZYMBRWMZNH-XUZZJYLKSA-N 474.565 2.477 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@@H](CNC(=O)C(F)(F)c2ccco2)[C@@H]1c1cccnc1 1812377419 MTLFGZSJPXMVMN-KSSFIOAISA-N 494.545 2.333 10 20 JECD O=C(CCc1ncc[nH]1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813276940 CZYWWVXKIOLYOB-DHBNKGDUSA-N 477.521 2.274 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCCO2)[C@H]1c1cccnc1 1814162687 VNGCVZFWCDKVEC-ZCTWNQIISA-N 467.522 2.487 10 20 JECD Cc1nnsc1C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362422 OQNDBWCJHOUVOF-LBPRGKRZSA-N 481.563 2.322 10 20 JECD COCCOCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821293681 NDTMBGZRMWLIFW-HNNXBMFYSA-N 452.895 2.443 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(Cl)c2)[nH]n1 1823495829 CHPAHJMNJVPMLT-LBPRGKRZSA-N 494.986 2.330 10 20 JECD C[C@H](Nc1nccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823498621 RHGNYVLCBBFZNB-AAEUAGOBSA-N 493.640 2.219 10 20 JECD COC(=O)CSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1824518020 BRLWFIIICXQGRV-JHTBKMLMSA-N 492.594 2.343 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3[nH]ccc3n1)CCO2 1836909677 IHNOOIPXIJNACP-HSZRJFAPSA-N 486.912 2.011 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1841355974 ZQCDICFKOKKATD-KRWDZBQOSA-N 483.569 2.144 10 20 JECD Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)n(C)n1 1842441000 XGNYCEZJVJUWRT-HXUWFJFHSA-N 496.612 2.264 10 20 JECD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1843347609 PVFTVKIUQGOBNF-INIZCTEOSA-N 495.960 2.204 10 20 JECD COc1ccc2c(c1)CCCN2CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 10057090 RWJKIVAZYCACEQ-UHFFFAOYSA-N 459.568 2.416 10 20 JECD COc1c([N+](=O)[O-])cc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c([N+](=O)[O-])c1Br 22097013 KNTGPBZJTNNTNI-JTQLQIEISA-N 472.296 2.063 10 20 JECD C[C@H](OC(=O)c1ccc(S(N)(=O)=O)s1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 745251732 ATEFEMHDHAJCDH-NSHDSACASA-N 484.511 2.355 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)CC2)cc1 749159860 MYHSXDKTYVEQNO-OAQYLSRUSA-N 492.667 2.238 10 20 JECD O=C(O)c1cc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c[nH]1 751267053 AWXCMGZYKFCHJC-UHFFFAOYSA-N 493.519 2.476 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CCc3c(C)nc4c(c(OC)nn4C)c3C)CC2)cc1 914971775 NXDXWMGDQUANJK-UHFFFAOYSA-N 495.580 2.427 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3Cc4c(OC)ccc(OC)c4[C@@H](O)C3)CC2)cc1 916197428 ZDFIAJFMBAIPPL-QFIPXVFZSA-N 484.597 2.483 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnc(-c4ccco4)n3N)cc2F)C[C@H](C)O1 917157970 DSHLXPZWNMXBSD-KBPBESRZSA-N 460.535 2.413 10 20 JECD O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 917380599 GSZVOFFMOQACOT-UHFFFAOYSA-N 465.428 2.317 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3cccc(CN4C(=O)CNC4=O)c3)cc2F)C[C@H](C)O1 917711469 GQLBZLGWIRTYDH-HOTGVXAUSA-N 454.502 2.421 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 918217629 HMOWSASCJVYNKN-UHFFFAOYSA-N 476.574 2.020 10 20 JECD COc1ccc(Cl)cc1N1C[C@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O 918335671 RJUVCVAOIAPTKF-QGZVFWFLSA-N 491.997 2.253 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 918439247 VXFGWTHBDNNIMU-UHFFFAOYSA-N 463.563 2.151 10 20 JECD O=C(COC(=O)c1ccc(NC(=O)C2CC2)cc1)NCc1ccc(N2CCOCC2)c(F)c1 919030699 FPVCXMJTXBGEGJ-UHFFFAOYSA-N 455.486 2.484 10 20 JECD O=S(=O)(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(Cl)nc1 919729158 FTGLVANHZWAENE-UHFFFAOYSA-N 462.938 2.469 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)Nc1ccc(-n2nccn2)nc1 919776601 YFXGNAPMXYPAJQ-UHFFFAOYSA-N 474.504 2.240 10 20 JECD O=C(COc1ccc(F)cc1)N1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 919792026 QXXZCVFURHPVIE-UHFFFAOYSA-N 456.518 2.095 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3cc4cc[nH]c4cc3Cl)C2)C1 1778002994 RPYRFMKDSFGKIX-NRFANRHFSA-N 493.010 2.125 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)C1 1782005366 BEZWJJFHPWXIHY-HSZRJFAPSA-N 495.960 2.062 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccccc3N3CCCCC3)C2)C1 1782029970 VMBKIDRCYGEXOP-RUZDIDTESA-N 466.538 2.240 10 20 JECD O=C1CC[C@@H](C(=O)Nc2ccc(C3(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CCC3)cc2)CN1 1785897126 NKZUWYFAXJMRRS-QGZVFWFLSA-N 473.533 2.440 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc(F)c(F)c1 1789654851 JNZBBOSRYKBYMV-FUKOYUCFSA-N 474.460 2.388 10 20 JECD Cn1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)c1Cl 1790243727 FNGYTEWOZVDMHS-NKFCBESUSA-N 469.325 2.045 10 20 JECD Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)s1 1794314132 MLCJFMITNULIAN-QDMKHBRRSA-N 451.639 2.488 10 20 JECD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2)n1cccc1C=O 1796203292 ZWZQZSKJSAPMIX-IMWIHDJQSA-N 453.495 2.330 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1snnc1C1CC1 1796934873 XNCOULBDIZMUEU-ACHSLPGTSA-N 464.551 2.460 10 20 JECD CCSc1cccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1798776809 YVGNAUDAJHNZMR-FAQVEIGNSA-N 493.589 2.190 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc(O)cc1F 1799564754 YHVMCDMXHKWPOX-KSPBDQMDSA-N 450.850 2.113 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c21 1807994269 FIMHBVOBIIMVII-YCRPNKLZSA-N 488.504 2.114 10 20 JECD Cc1cc(C(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)nn1C 1808282219 KFARIUXMYHPEPR-UHFFFAOYSA-N 462.554 2.366 10 20 JECD COC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808464473 MDBCGHWZNHWFHH-XMSQKQJNSA-N 463.538 2.305 10 20 JECD Cc1nccn1CC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1812409284 OVASJQUECXMXLS-DBUITHOJSA-N 477.521 2.123 10 20 JECD COc1cnc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cn1 1814162831 RRJGCPBOGWMXNK-FERYEXAHSA-N 491.504 2.030 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCC3)[C@H]1c1cccnc1 1814163785 LVLUEMFGYKTSKJ-VREWFTFGSA-N 489.532 2.374 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)Cc2cccs2)[C@@H]1c1cccnc1 1814189149 MNTTWPMSGOBIEW-FOIQADDNSA-N 474.633 2.252 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3ccccn13)CC2)c1cc(O)nc(O)c1 1816725056 JJMBJTVCRPTRRA-LBPRGKRZSA-N 450.480 2.137 10 20 JECD Cn1nc2c(c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c3cc(O)nc(O)c3)n[nH]1)CCC2 1817846843 DKRZRSLJLDBPCJ-MRXNPFEDSA-N 451.487 2.058 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccn(C(F)F)n1 1819828029 QDVCYWCFVLTCRQ-GFCCVEGCSA-N 483.526 2.168 10 20 JECD O=C(CN1CCCC1=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823709103 YXTQNWYNLAYEMV-LLVKDONJSA-N 464.931 2.056 10 20 JECD O=C(CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)N1CCCC1 1824944127 NAWZTOKNXAGOBM-LJQANCHMSA-N 458.559 2.129 10 20 JECD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1830669609 DNIJSSSEJSNJAD-WOHXKIKESA-N 482.537 2.496 10 20 JECD Cc1noc(C)c1C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1834156616 KFLJLAYLHYSHQQ-GQCTYLIASA-N 484.553 2.307 10 20 JECD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1839912884 LUAGLWVAYIFMDA-MYCJUQKNSA-N 494.592 2.062 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(Cl)c(F)c1 1847421719 ATFACRSKGDKXHH-GJZGRUSLSA-N 455.964 2.084 10 20 JECD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(N2CCCCC2)cc1 742475448 ADPGLAKLDZPWIH-JOCHJYFZSA-N 493.651 2.075 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 916378591 PIHPKICHFVKYPI-HXUWFJFHSA-N 455.481 2.238 10 20 JECD C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN(C)Cc3ccc(N4CCOCC4)cc3)CC2)C1 917020506 QSUPIAYPMDHMCM-NRFANRHFSA-N 456.631 2.452 10 20 JECD COc1ccc(N2CCN(C(=O)CNc3cc(N4CCCS4(=O)=O)ccc3F)CC2)cc1 917830380 VQRWACZGIHVUMB-UHFFFAOYSA-N 462.547 2.135 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)cc2F)C[C@H](C)O1 918186692 SAWYQBUZRYXSQG-IRXDYDNUSA-N 475.565 2.493 10 20 JECD CCN1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)CC1 918285088 XDFRPJUTMBZNKS-UHFFFAOYSA-N 469.561 2.059 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cc1 918309859 KPRNRSGWLQYBPY-UHFFFAOYSA-N 489.642 2.446 10 20 JECD CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 918444617 WJCGKAWHJKJZPS-UHFFFAOYSA-N 458.540 2.240 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CCNC(=O)c3ccco3)cc2F)C[C@@H](C)O1 918884423 WOBMAGRAELITNZ-HZPDHXFCSA-N 461.490 2.012 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 920195338 QASCEUBLNTWSRB-UHFFFAOYSA-N 477.609 2.310 10 20 JECD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 920494635 OIUZEXLVRASYCS-HXUWFJFHSA-N 475.567 2.227 10 20 JECD COc1ccc(OC)c([C@H]2CCCN2C(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 920635061 CEXUONFUUNXXFT-GOSISDBHSA-N 478.523 2.301 10 20 JECD CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC=C1C(=O)N(C)C(=O)N(C)C1=O 920979801 JEXBRQAXOLCMMA-UHFFFAOYSA-N 477.587 2.054 10 20 JECD Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)on1 1781119532 MMAKXIDIMIYNNN-XMSQKQJNSA-N 463.918 2.418 10 20 JECD O=C(c1ccc(-n2cccn2)nc1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007643 VTUKCSJXKSIPMF-HSZRJFAPSA-N 483.912 2.089 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1782007829 QONBIXNDWPLDEA-QHCPKHFHSA-N 473.913 2.467 10 20 JECD Cc1nnc(CC(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)s1 1788230006 IHAPZRVUDOZRRU-UHFFFAOYSA-N 475.621 2.383 10 20 JECD O=C(c1cc(O)nc(O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccccc2)CCCC1 1792767283 UAGHMBUHQAAFNQ-OPMZPASUSA-N 451.523 2.208 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1Cl)C2 1802081527 ZZLNMPQICDAXSC-QUKZKKHZSA-N 472.925 2.302 10 20 JECD COc1nccnc1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1804980668 MSMLAYKAVCWFHU-VJZFYYHCSA-N 491.504 2.030 10 20 JECD O=C(CNc1ccc(F)cc1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807069101 YEXHGWTWQOEOKQ-QMHKHESXSA-N 465.485 2.459 10 20 JECD CCn1nccc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808467029 CZDPKZCDMIHSHK-DVECYGJZSA-N 485.548 2.411 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803352 IDGCWYPEFCFQTI-SGTLLEGYSA-N 457.874 2.208 10 20 JECD C[C@H](Cc1ccncc1)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1812339888 NTHVWGLVEARLCU-WVBUVRCRSA-N 497.646 2.222 10 20 JECD C[C@H]1CCc2c(C(=O)N[C@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)n[nH]c21 1816724705 BKTWKOUTRAJAKZ-ONGXEEELSA-N 454.512 2.262 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146880 KBSCDIXCSQWSQF-MRXNPFEDSA-N 491.468 2.140 10 20 JECD Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)n[nH]1 1821500184 NUFXQSJDLLXIGC-ZDUSSCGKSA-N 463.523 2.193 10 20 JECD Cn1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)cn1 1823714108 XWAWRSKBCKIWAW-GFCCVEGCSA-N 461.931 2.410 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ncc(Cl)cn2)CC1 1825684429 TXYVDIXSCRDYHZ-OAHLLOKOSA-N 482.031 2.224 10 20 JECD Cc1cncc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1 1826010623 UCPLPZAOFYEASS-GOSISDBHSA-N 460.625 2.484 10 20 JECD CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cn1 1833892714 OIQMHNLFLUYSNN-HSZRJFAPSA-N 475.929 2.092 10 20 JECD CCOc1cccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834988659 APBFLNCXLNTPPM-UHFFFAOYSA-N 468.554 2.391 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3csc(C(F)(F)F)n3)CC2)CC1)c1cc(O)nc(O)c1 1834988966 YMBBMECRCYFIGP-UHFFFAOYSA-N 499.515 2.467 10 20 JECD CC(C)(C)c1cnc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cn1 1835269776 WUKDXBQJCMMLIA-UHFFFAOYSA-N 482.585 2.079 10 20 JECD Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)sc1C 1836074252 OKALULFVPLMXJH-UHFFFAOYSA-N 459.572 2.065 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3coc(Cl)n3)CC2)CC1 1837302830 KEZHBTVBYRULES-UHFFFAOYSA-N 450.879 2.060 10 20 JECD Cn1ccnc1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837536536 NSLPXGVZSLKYBD-UHFFFAOYSA-N 462.934 2.411 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)Cc3cccnc3)CC2)CC1 1837971255 NSYGNVKYSGODFC-GQCTYLIASA-N 481.549 2.453 10 20 JECD COc1cscc1C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838164142 JDTLKYGTWSFYJC-UHFFFAOYSA-N 497.664 2.229 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)[C@H]3CC3(F)F)CC2)CC1 1838274668 ZOZPBQBWAICDIA-NKEDHYFDSA-N 466.481 2.470 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838300082 BKDHIEVRFYJJQM-QAPCUYQASA-N 467.657 2.282 10 20 JECD O=C(c1ncn(-c2cccc(F)c2)n1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441251 HICFYSLURLODNV-UHFFFAOYSA-N 487.495 2.016 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ccc(OCCCO)cc2)C1 1844705161 REANYDLCRYGDQT-UHFFFAOYSA-N 476.533 2.058 10 20 JECD COc1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)cc1NC(C)=O 1847038981 WJYRFJJFZBXCQB-RMKNXTFCSA-N 481.505 2.301 10 20 JECD COc1ccc(N2CCC(NC(=O)CS(=O)(=O)N3CCN(c4cccc(C)c4)CC3)CC2)cc1 110362762 FXWQTETYASANBQ-UHFFFAOYSA-N 486.638 2.241 10 20 JECD COc1ccc(N2CCCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)CC2)cc1 728207544 QSOANCAJZHLUIH-IBGZPJMESA-N 475.615 2.175 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)/C(=C\c3cccc(F)c3)n3nnnc3C)CC2)cc1 818196117 QISXYNMTLUDHHQ-PXLXIMEGSA-N 480.500 2.019 10 20 JECD COc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C(=O)N(C)C)cc1OC 918295222 OTXWABRUVSYORV-KRWDZBQOSA-N 485.537 2.258 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(N4CCCC4)c(F)c3)cc2)C1 918464423 VPFNUQQEYAXKGN-SFHVURJKSA-N 467.545 2.383 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc([N+](=O)[O-])cc3N)cc2F)C[C@@H](C)O1 918799734 HMPOBDDPMSAGOP-ZIAGYGMSSA-N 460.462 2.403 10 20 JECD O=C(COC(=O)c1ccn(-c2ccccc2F)n1)NCc1ccc(N2CCOCC2)c(F)c1 919120587 NUMRXPYCPSDEOL-UHFFFAOYSA-N 456.449 2.460 10 20 JECD CC(=O)N1C[C@@H](C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)Oc2ccccc21 919697708 HHVXFTZZLBCGSS-DEOSSOPVSA-N 490.539 2.373 10 20 JECD O=C(CNC(=O)Cc1cccc(F)c1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919761615 MYMZILOHAYCUEX-UHFFFAOYSA-N 480.519 2.057 10 20 JECD COc1ccc(C(=O)CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1 1777847518 DDRGYZMQALSHDT-QFQXNSOFSA-N 497.548 2.292 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 1780639692 ACWYVMJGAVOWJO-LJQANCHMSA-N 488.418 2.297 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)cc3F)C2)C1 1781663082 MDJPPHGYCNUCFU-OAQYLSRUSA-N 450.850 2.353 10 20 JECD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(O)c1 1782007731 LEFPGYQNKNVTIW-QFIPXVFZSA-N 462.886 2.223 10 20 JECD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)ccc1C 1787540093 CJZLNSYFOMCBIW-PTLVVNQVSA-N 490.560 2.390 10 20 JECD O=C(CC12CCCN1CCC2)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1789822911 HEAYKODDOUYYMZ-KNBMTAEXSA-N 477.989 2.363 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1ccccc1C1CC1 1791908496 AXHDHBHPPGSCTE-SNRMKQJTSA-N 473.620 2.018 10 20 JECD C[C@H](C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1)N1C[C@@H]2C[C@H]2C1 1792315249 UBBJTFONDZGZBO-PMPSAXMXSA-N 472.636 2.321 10 20 JECD Cc1csc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1794083362 BVCJHLVROSPCTP-MRSFGVLCSA-N 480.590 2.372 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(OC(F)(F)F)cc1)C2)c1cc(O)nc(O)c1 1796137606 LPQXEUHKHAYJFT-NCLGQRILSA-N 493.438 2.308 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccno1 1805637167 KWWCSPYDDLDCQN-CVTZPFNJSA-N 450.451 2.219 10 20 JECD Cc1nc(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)ccc1F 1807549575 BOIFMRNPANQFDI-UHFFFAOYSA-N 464.588 2.234 10 20 JECD O=C1Cc2cc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)ccc2N1 1807995915 LAHLHMKFXJVGTH-HJPURHCSSA-N 473.489 2.016 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc2cccnc2nc1O 1812111426 PJQCYHVDGJEBAR-IIBYNOLFSA-N 486.488 2.170 10 20 JECD COC(=O)C1(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)CC1 1812690883 YOIHYZBAPRZCLK-RDTXWAMCSA-N 473.913 2.419 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)CCCc2cccnc2)[C@H]1c1cccnc1 1814192894 YBVLEOKCPSPTTQ-XXBNENTESA-N 497.646 2.366 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cnoc1C1CC1 1816658372 IKMPCMQRAVSWLA-AWEZNQCLSA-N 474.568 2.441 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCOC2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147630 AVRYWNWQFKNFPO-KXBFYZLASA-N 450.499 2.231 10 20 JECD COc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)ccc1[N+](=O)[O-] 1822822358 KHTIIQVHHJRDPX-ZDUSSCGKSA-N 499.505 2.335 10 20 JECD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429007 NHRNXKMLARBFMN-AQNXPRMDSA-N 471.554 2.482 10 20 JECD O=C(/C=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1833078373 GUJCNFSIZWGSNR-LFTXJPJQSA-N 462.886 2.128 10 20 JECD Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)c(O)n1 1836151827 ZFUXZVQFIXOFND-QPJJXVBHSA-N 496.564 2.111 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1c(F)cccc1F 1836225823 GADZVFPKUSZNMW-UHFFFAOYSA-N 460.481 2.270 10 20 JECD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)n1ccnc1 1836780877 RMYRMCCMSYVEBE-RCFWFJCLSA-N 484.553 2.273 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc4ccnn4c3)CC2)CC1 1838030189 DWTQKVBBTDKMLV-UHFFFAOYSA-N 465.510 2.067 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ccc3cccnc3n2)C1 1844022913 DZENKUYLPCIDHT-UHFFFAOYSA-N 454.490 2.240 10 20 JECD CCOC(=O)c1cc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)ccn1 1845501558 BLIJQCBDMTZDSU-UHFFFAOYSA-N 459.886 2.454 10 20 JECD COC(=O)c1ccc2cc(C(=O)N3CCCC34CN(C(=O)CN3C(=O)CSC3=S)C4)ccc2c1 1845710375 NROHEWKUUPIYTN-UHFFFAOYSA-N 497.598 2.304 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cnn3cccc(F)c23)C1 1845721827 NTFPZDDHHUUOIJ-FNORWQNLSA-N 452.442 2.121 10 20 JECD O=C(CCNS(=O)(=O)c1cccnc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726567095 FNXBDSMQCPUPTB-UHFFFAOYSA-N 454.499 2.137 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3oc4ccccc4c3CS(C)(=O)=O)nc12 726658588 HBBDFLCHPPUVEY-UHFFFAOYSA-N 473.463 2.259 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)cc2)C1 730480927 FYYZBUNKWLJIHQ-PKTZIBPZSA-N 498.649 2.247 10 20 JECD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OCCS(=O)(=O)CC)cc2)cc1 746353530 BBXATAIBBNIGDF-UHFFFAOYSA-N 490.625 2.453 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CCCN(C(=O)Cc4ccccc4)C3)nc12 919086405 ZBNPVUXBUMLPLZ-KRWDZBQOSA-N 466.494 2.136 10 20 JECD O=C(c1ccc(-n2cnnc2)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782001979 ONWQAEPAACZFBY-QHCPKHFHSA-N 483.912 2.089 10 20 JECD COc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cn1 1782003283 HIAPJACOEKPGNY-HSZRJFAPSA-N 475.929 2.231 10 20 JECD CN(C)C(=O)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1 1785283608 CHEGJNXJEGVBIX-XMMPIXPASA-N 487.940 2.210 10 20 JECD CN(C)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)cc1 1789586852 ZCHVYELCWYMWSF-APTRMMRNSA-N 489.576 2.139 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccccc3)CCCC1)C2)c1cc(O)nc(O)c1 1796137204 ZYERXDQTTWQBBW-OPMZPASUSA-N 451.523 2.208 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(F)cc1F)C2)C1=NN(c2ccccc2)C(=O)C1 1796480498 KIJFCRIEONNNNW-UMLGVZDMSA-N 494.498 2.361 10 20 JECD C[C@H](NNc1ccccc1)C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1804882856 WMCTYHAWZYRQOZ-KRWDZBQOSA-N 489.667 2.083 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3nc[nH]c3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995573 GLKBXWWACGHXQN-KSFYIVLOSA-N 458.478 2.398 10 20 JECD O=C1CCc2ccc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)cc2N1 1808001267 SIVFZZIKSOGIKH-MHECFPHRSA-N 487.516 2.406 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cnn2c1CCC2 1812144816 MSANYTPQCNNCEB-VREWFTFGSA-N 489.532 2.374 10 20 JECD Cn1nccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1816476686 ZHZHJDAWOYWVRA-SFHVURJKSA-N 460.498 2.242 10 20 JECD Cc1c(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)cnn1C 1817362306 KKHMVPGGQRSEEO-CQSZACIVSA-N 477.550 2.204 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2)c1cc[n+]([O-])cc1 1821053762 YKNKYQCBOVHRQQ-LBPRGKRZSA-N 460.899 2.381 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3c(F)ccc(O)c3F)sc2C1)c1cc(O)nc(O)c1 1823635368 AUFMANOZQDZNET-SECBINFHSA-N 462.434 2.473 10 20 JECD O=C(c1nc2ccc(F)cn2n1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429298 IOOCISFHTIAGJI-KRWDZBQOSA-N 468.489 2.222 10 20 JECD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)n1 1827948179 QYFPOLICCRZOKQ-INIZCTEOSA-N 485.497 2.352 10 20 JECD Cc1nccc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)n1 1828198788 JPVIJEDONKKRGM-MXPWBENCSA-N 467.507 2.298 10 20 JECD O=C(CC[C@H]1CCOC1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900301 PUXOLJSQPAGGCT-FUHWJXTLSA-N 467.657 2.283 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccncc3C(F)(F)F)CC2)CC1)c1cc(O)nc(O)c1 1834987064 UVJPGLYWEOORDU-UHFFFAOYSA-N 493.486 2.406 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1nnc(-c2ccccc2)o1 1835770058 NKXKBWKPIOLSAU-UHFFFAOYSA-N 492.536 2.042 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)C3=COCC3)CC2)CC1 1838816185 KKBRPRLJPRZYFR-DUXPYHPUSA-N 458.511 2.119 10 20 JECD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1838984651 LDVHCXPSVXBADJ-QHCPKHFHSA-N 460.914 2.443 10 20 JECD COCCCC(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1841264621 PZIZSMODHRZWND-HXUWFJFHSA-N 474.602 2.335 10 20 JECD CC(C)(C)OC(=O)NCc1ccnc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)c1 1843249219 KNQUMFUDMDVSLK-UHFFFAOYSA-N 483.525 2.043 10 20 JECD C[C@@H]1Oc2ccc(C(=O)N3CC4(CCCN4C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)cc2NC1=O 1843442449 LGKPHPRHEXZTIC-INIZCTEOSA-N 487.516 2.016 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2cccc(N3CCOCC3)n2)C1 1843528641 WBRVXBZQWACGPP-UHFFFAOYSA-N 472.929 2.114 10 20 JECD Cc1cc(C(=O)COC(=O)C[C@@H](NC(N)=O)c2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 11939617 PHWJFCJTPBYWBG-OAQYLSRUSA-N 498.561 2.267 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)c2C)cc1 21854128 IAUNCNDMBNJHSX-UHFFFAOYSA-N 497.529 2.104 10 20 JECD CCCN(Cc1ccccc1O)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 60349153 CLEOEMIWBNHCCE-UHFFFAOYSA-N 473.595 2.444 10 20 JECD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2cccc(OC)c2O)c1 727762648 SQYBAQVECIULQI-UHFFFAOYSA-N 473.345 2.018 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc4c(c3)nnn4C)cc2F)C[C@H](C)O1 729732874 UZDMJUYMGWNOQE-GJZGRUSLSA-N 455.490 2.194 10 20 JECD CS(=O)(=O)Nc1cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)ccc1Cl 747160657 OCICDPSEGIHHCI-UHFFFAOYSA-N 457.961 2.199 10 20 JECD NS(=O)(=O)Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 749732164 DLJRJCHYUVJEQP-UHFFFAOYSA-N 457.474 2.261 10 20 JECD CNc1nnc(SCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)s1 749934804 LJBYBLLJZCVDBE-QPEQYQDCSA-N 495.633 2.418 10 20 JECD CCCN(C(=O)[C@H](C)OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)[C@@H]1CCS(=O)(=O)C1 915551392 WZUNCJFHXLBTNW-LSDHHAIUSA-N 498.557 2.015 10 20 JECD COc1cc(C(=O)Oc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)cc(OC)c1OC 915840791 WPJCQEIPLGJNAF-UHFFFAOYSA-N 454.435 2.365 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)cc2)C1 918118623 UUIUDWMFZWFSGR-ISKFKSNPSA-N 465.598 2.089 10 20 JECD CCOCCCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 918221520 WEMUGCLKPGFBKG-UHFFFAOYSA-N 464.582 2.251 10 20 JECD O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918295784 GQVZLEDPYCZJIW-GOSISDBHSA-N 462.506 2.195 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CNC(=O)Cc3cccc4ccccc34)nc12 918886394 VYRJIHMQOPLNJG-UHFFFAOYSA-N 462.462 2.167 10 20 JECD Cc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(OCC(=O)N(C)C)c1 919910205 GHSUTICENLCDBC-IBGZPJMESA-N 467.570 2.485 10 20 JECD C[C@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)c1ccc(N2CCOCC2)cc1 920868699 JYNFSVSPHVYIPB-SFHVURJKSA-N 482.610 2.181 10 20 JECD C[C@H]1CN(Cc2csc(NC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)n2)C[C@@H](C)O1 920940046 SCPNYKUPXOWKSH-CALCHBBNSA-N 493.655 2.309 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-c3cc[nH]n3)cc1)C2)c1cc(O)nc(O)c1 1777852228 IZUJRDVEEQTLQB-CJFMBICVSA-N 477.521 2.324 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnc(-c4ccccc4)s3)C2)C1 1779752442 LFNXTMOBXXYSEP-HSZRJFAPSA-N 466.519 2.374 10 20 JECD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)N1CSCSC1 1782007007 GADCDHLWYFLGML-RNODOKPDSA-N 488.031 2.238 10 20 JECD COc1ccccc1CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009609 XCZSRXXMVDTAIZ-QHCPKHFHSA-N 460.914 2.446 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1CCCCO1)C2 1783218394 NQBPVCKYQGDEQS-RHKXYULUSA-N 474.554 2.290 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCC(F)(F)F)C2 1783245120 AZUZQLKQFIOFJT-FZKQIMNGSA-N 481.562 2.093 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(Cl)cc1)C2 1783246438 VJYDFABRGIZTKP-VGOFRKELSA-N 496.054 2.257 10 20 JECD C[C@H](Cc1ccco1)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1784588602 VUPBXKZKDCDRCG-WPBXQCFXSA-N 456.495 2.118 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1cccc(C(F)(F)F)c1)CCO2 1785545304 OJQNKYVSSIITQI-IBGZPJMESA-N 487.525 2.009 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790244889 DZYLFDPMQKNERG-ACRWPFGISA-N 472.925 2.348 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 1792908992 XFOMEHLVXFRVTP-FLXSYLCISA-N 461.584 2.428 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cccnc1-c1ccccc1 1796566031 UMOQHLTVKGYYNC-OPMZPASUSA-N 460.490 2.072 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cc2cn[nH]c2cn1 1796934423 BOCXTMYREGVPNV-VBUUOAMHSA-N 457.494 2.003 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1cocn1 1806018309 TZPWWOHIXKISMT-VGSWGCGISA-N 458.478 2.182 10 20 JECD Cc1nc(C)c(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)s1 1808237021 GUQKHZLMIYFXOF-UHFFFAOYSA-N 466.654 2.465 10 20 JECD C[C@H](Cn1cccn1)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808463716 FIAZIDPHOBPCTO-ZJCBTPCYSA-N 499.575 2.413 10 20 JECD CC[S@](=O)CCC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808468417 QERBUYKQLKGVMZ-IMWKCIGXSA-N 495.605 2.039 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc2[nH]ccc2n1 1809794075 PFOBFTZZJKSBJP-VFNWGFHPSA-N 494.602 2.138 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)C3CCOCC3)sc2C1 1814196542 GPNSYZIAILJONH-HSVJCBRXSA-N 459.524 2.312 10 20 JECD O=C(Cc1ncccn1)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1816000723 KRRJUDAKCCFVGE-IQIBNGDESA-N 464.482 2.265 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccn(C(F)F)n1)CC2)c1cc(O)nc(O)c1 1816725957 OUMZHEHNFYLODX-SECBINFHSA-N 450.427 2.081 10 20 JECD Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c(-n2nccn2)c1 1816727329 OGJGSXOCOJYCBW-AWEZNQCLSA-N 491.533 2.378 10 20 JECD C[C@H](Nc1ccccn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1819617849 LCOGQBDBMBTMNU-BBRMVZONSA-N 451.487 2.417 10 20 JECD Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823496494 IGIXVZDOAVPUPV-MRXNPFEDSA-N 490.611 2.500 10 20 JECD Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828199990 IFQNGGGRSNCLBO-FUVBFXSKSA-N 497.577 2.478 10 20 JECD CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835132847 SERFBTTZJUPXEQ-UHFFFAOYSA-N 453.587 2.397 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)c3cnco3)CC2)CC1 1836978045 CJFDQPJVJKGXOK-UHFFFAOYSA-N 465.510 2.080 10 20 JECD O=C(c1cnc2ccoc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433857 DHVXTKIIQSABOO-QHCPKHFHSA-N 487.896 2.276 10 20 JECD Cc1ccc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(O)nc(O)c5)C4)C3)sc2c1 1839580245 OXBLZQGCCZTUCP-DEOSSOPVSA-N 483.546 2.400 10 20 JECD O=C(c1cc(-c2ccccn2)[nH]n1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441714 NCWUARHCXIEWRA-UHFFFAOYSA-N 469.505 2.082 10 20 JECD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(NS(C)(=O)=O)cc3F)n2)c[nH]1 727247944 WCDCPZKSLSPZCH-UHFFFAOYSA-N 474.517 2.236 10 20 JECD CCOc1ccc(OC)cc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 729785093 RZMOIUORBUVFHB-KRWDZBQOSA-N 454.527 2.051 10 20 JECD NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2)C1 731045533 XBGPLZKJXDXOMB-JOCHJYFZSA-N 483.588 2.359 10 20 JECD O=C(COC(=O)[C@H](c1ccccc1)N1CCC(O)CC1)NCc1ccc(N2CCOCC2)c(F)c1 731247309 AYHDUYXTAFSPGV-VWLOTQADSA-N 485.556 2.020 10 20 JECD Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1C(=O)NC(C)C 731285874 OFFKSBBTINXONF-LJQANCHMSA-N 479.581 2.090 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 749967461 TYMAJMJXWLEFDV-UHFFFAOYSA-N 494.016 2.015 10 20 JECD CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918372106 LJNHSRKNTDCQNZ-IEBWSBKVSA-N 458.584 2.149 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H](C)NC(=O)C3CCCC3)cc2F)C[C@@H](C)O1 919353488 KLYRKRPFTHBXAO-BBWFWOEESA-N 463.550 2.294 10 20 JECD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(F)c(S(C)(=O)=O)c3)cc2F)C[C@@H](C)O1 919945479 IOELTXZNOJJMOI-ZIAGYGMSSA-N 474.551 2.460 10 20 JECD CCNc1ccc(S(=O)(=O)N(CC)CC)cc1N/C=C1/C(=O)NC(=S)N(CC(C)C)C1=O 920979046 RRCPXTOFWFCIKA-VBKFSLOCSA-N 481.644 2.344 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cnnc4ccccc34)C2)C1 1777728595 YFRAVMIWWAIWPS-QHCPKHFHSA-N 468.897 2.452 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc(O)ccc1F 1780912204 QNFKLFLNAXSHQF-XYUUTWJASA-N 486.496 2.489 10 20 JECD CC(C)(C)[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781119600 QGEWJZBLBVEDEW-RADWXHQJSA-N 454.951 2.286 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)Cc1ccccc1)C2)c1cc(O)c(O)c(Cl)c1 1781123119 VOJAIOUWRGTCTP-BPYKYCOYSA-N 488.968 2.482 10 20 JECD CN(C)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783220038 OXWCMRAWSIPMCI-YRHVXKOMSA-N 496.564 2.105 10 20 JECD COc1ccc(C)c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785510210 SVNXPEDFWPIHAY-JLEGMICCSA-N 468.506 2.277 10 20 JECD Cc1nc(N)sc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1786918856 CVGGTIHPPJLZHK-WBIUFABUSA-N 466.947 2.005 10 20 JECD Cn1cccc1C(=O)C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1791923374 BJJHVGGQYPBSSD-UHFFFAOYSA-N 470.576 2.202 10 20 JECD Cc1csc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1793509710 KHUUZEVJARFJJE-VPTLXERWSA-N 452.536 2.053 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnnc1 1795021076 NMXLVLZLYORPQO-CIAFKFPVSA-N 494.596 2.447 10 20 JECD CCn1nc(C(C)C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796480484 FRIXCCNAJRVAOM-MRSFGVLCSA-N 492.580 2.023 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc3C1)C2)C1=NN(c2ccccc2)C(=O)C1 1796481130 OPQWUMDHLVTCTJ-IFOBJOEFSA-N 486.572 2.174 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2ccsc2n1 1798150630 HFMVPQUBQFLTFD-BPQKRJORSA-N 454.508 2.478 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn[nH]c1)C2 1798418198 CDQVDQSWEFZYKF-RDGPPVDQSA-N 499.568 2.209 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCCn1cccc1)C2 1802079565 KODLZKOGYSCBNC-LMDGECGLSA-N 469.538 2.078 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)CC1 1806381628 PGIIAHXIWGMFSN-QAQDUYKDSA-N 495.667 2.057 10 20 JECD Cc1noc(C)c1CC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807993209 GHSLXLMBBUUKHM-ZHRRBRCNSA-N 451.483 2.055 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(Cl)nc3n[nH]cc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994968 WPDBNFBDSIAHNI-ZUOKHONESA-N 493.911 2.446 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc3c[nH]nc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995351 YIAXEGOSNOZCCS-ZHRRBRCNSA-N 458.478 2.398 10 20 JECD COC(=O)c1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)s1 1807999255 JZSVULJZDRUBQX-QRQCRPRQSA-N 496.545 2.298 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CC23CCCN2CCC3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999558 LYEXGDIYMIQIJD-FDDCHVKYSA-N 465.554 2.226 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)nc2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469572 PMTXESLGMQYCCW-KOSHJBKYSA-N 484.516 2.295 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCN2CCCC2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469816 QGCVJDXZRVBDFH-QFQXNSOFSA-N 488.592 2.366 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1O2 1812893158 DXHTUZTZCVTMKM-SLVXQMGRSA-N 479.533 2.485 10 20 JECD CN(C)c1cncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)c1 1816103335 RFVYMUVWPYUYCF-KRWDZBQOSA-N 451.487 2.297 10 20 JECD COc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c([N+](=O)[O-])c1 1816727196 GDWUTRKDADULOX-ZDUSSCGKSA-N 499.505 2.335 10 20 JECD Cc1nn2cc(CC(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)nc2s1 1817843417 MVYCGTOAUXKYFM-HNNXBMFYSA-N 482.526 2.177 10 20 JECD CC(=O)NCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145699 FJWIDICUWQLJIM-FQEVSTJZSA-N 493.568 2.357 10 20 JECD COC(=O)C1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)CC1 1823476112 QQZNNBVOOUEXHD-PMGBHYCQSA-N 470.482 2.185 10 20 JECD NC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)c1ccccc1 1826980543 GWEIXOLCKLPQMI-VQTJNVASSA-N 488.679 2.209 10 20 JECD O=C([C@H]1Cc2ccccc2CN1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427941 VNNCXKRKCHEIQD-FGZHOGPDSA-N 464.566 2.441 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccc3nccn3c2)CC1 1828306170 XUFGLHANVCNZQW-GOSISDBHSA-N 485.635 2.428 10 20 JECD Cc1ncc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)[nH]1 1833579460 AJIBHLUESUOZRR-UHFFFAOYSA-N 461.950 2.282 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)C2)C1 1836418192 GANSMCVRBBRYLL-DRCLYLBJSA-N 473.570 2.169 10 20 JECD O=C(COc1ccccc1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837692178 BQHYDMSRSWSMIX-UHFFFAOYSA-N 455.511 2.184 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)Cc3ccc(O)cn3)CC2)CC1 1838811795 STRJQAPOUNJTJY-QHHAFSJGSA-N 497.548 2.159 10 20 JECD COCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1839348150 DSWXOTZJAAWFLU-VWLOTQADSA-N 455.555 2.201 10 20 JECD COc1cc(F)ccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839435327 HDSBTDMQVPPZSY-QHCPKHFHSA-N 494.903 2.283 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)c2ccccn2)C1 1842386832 VSYPUZZCBHGDMP-IBGZPJMESA-N 496.564 2.446 10 20 JECD Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)n(C)n1 1843330922 TVWSDNYFHQSPTN-HXUWFJFHSA-N 496.612 2.264 10 20 JECD C[Si](C)(C)c1cc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)co1 1843441510 CUGDUVQCUYIUIP-UHFFFAOYSA-N 464.598 2.435 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 1845316099 YWJYCRMKIQQPES-XVNBXDOJSA-N 457.414 2.381 10 20 JECD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1845521241 UKBMVXCFJYULEW-WEVVVXLNSA-N 482.493 2.308 10 20 JECD C[C@H](C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)[S@@](=O)c1ccccc1 1847039524 YMJNUHYNWWPKBR-PRTHALMGSA-N 470.547 2.216 10 20 JECD COc1cccnc1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(c2ccccc2)C(=O)C1 1848173135 GVYCADHNLJQTGL-SFTDATJTSA-N 461.522 2.018 10 20 JECD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726603625 KHKGVHMADQZRLJ-UHFFFAOYSA-N 489.566 2.486 10 20 JECD Cc1nn(CCC(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)c1[N+](=O)[O-] 726646971 GJZBQOOTSJRVJA-GJZGRUSLSA-N 491.520 2.411 10 20 JECD COC(=O)COc1cccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919761444 BECDQWKCYXSZGV-UHFFFAOYSA-N 479.512 2.424 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc(N2CCS(=O)(=O)CC2)c1 919907178 CBBAGIUSJLPYMA-UHFFFAOYSA-N 462.547 2.219 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(CN4CCC[C@@H]4C(N)=O)c3)CC2)cc1 920928593 UCBGLPYDGRSQIK-RUZDIDTESA-N 494.640 2.479 10 20 JECD CC(C)O[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778128066 XJNSUYBUMWVBRA-IOZGHAEBSA-N 470.570 2.107 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)C3(Br)CC3)C2)C1 1781346891 DYFCGMOPPPOFGL-KRWDZBQOSA-N 459.724 2.122 10 20 JECD COc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1C 1785509922 CLSKCSPIKNIBER-CFSVISAESA-N 468.506 2.277 10 20 JECD Cc1oc(C(C)(C)C)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785537784 JZWXPWSYIQFUIK-JOCHJYFZSA-N 479.624 2.189 10 20 JECD CC[C@H](NC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796748756 IRRXMEWGFOJFEM-LILSUDLASA-N 487.645 2.341 10 20 JECD Cc1ccc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1801682774 SEGBUFTZKSDSKP-NHKMSHSESA-N 460.534 2.300 10 20 JECD CN1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1803943256 GEEKCGPNOKCTKO-UPQDFHHCSA-N 466.538 2.012 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1ccno1 1805624118 OEGAPFMMVYCYOJ-VGSWGCGISA-N 458.478 2.182 10 20 JECD Cc1nn(C)cc1C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1806286853 RZHUXUMSNBRKTQ-UHFFFAOYSA-N 462.554 2.366 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2nonc2c1 1809125364 FVHKHNVYMRZSMV-VFNWGFHPSA-N 460.450 2.057 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)CC1 1810546651 IGROFSXOYNMVSN-QAQDUYKDSA-N 459.543 2.317 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1812056799 WICKPQWNVSTJAU-HOYKHHGWSA-N 499.531 2.410 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cccc4c[nH]nc34)sc2C1 1816813654 FSBGUUILFNZLPI-LLVKDONJSA-N 486.604 2.106 10 20 JECD COC[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817363568 JGHMMUIPJQPBRU-KBPBESRZSA-N 455.540 2.131 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc2n(n1)CCCC2 1819096369 BKPJASRRXBQCGR-INIZCTEOSA-N 487.611 2.109 10 20 JECD Cc1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)ccc1F 1828240559 XCDXUSCXZJOOFG-SNVBAGLBSA-N 479.584 2.072 10 20 JECD O=C1NCc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)ccc21 1828722156 CMYFDCRPXCRCGS-HXUWFJFHSA-N 464.522 2.283 10 20 JECD C[C@H](Nc1cnccn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1828940358 GKTGQRNBTOBZHM-YJBOKZPZSA-N 454.531 2.017 10 20 JECD COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cn1 1832896540 KLKQPZVVVURWFD-QGZVFWFLSA-N 476.624 2.184 10 20 JECD Cc1ccc(C)c(OCC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1833703018 VVHPFGSHDSGRNO-UHFFFAOYSA-N 482.581 2.374 10 20 JECD CC(C)Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)cc1 1836418955 JCUZXELELIPDOU-RUZDIDTESA-N 469.538 2.075 10 20 JECD Cc1ccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1 1840881246 KHEYDZBBQAUCHQ-HWOQGQEBSA-N 496.560 2.214 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 1843925802 YJBSWZZUJWTDNU-OAQYLSRUSA-N 485.968 2.469 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)c1ccc[nH]1)C2 1844251721 SXPZQMJJAGRWLW-SFHVURJKSA-N 484.553 2.379 10 20 JECD O=C(c1cnn(-c2cccnc2)c1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845500703 DEYLJKSRISKUAC-UHFFFAOYSA-N 453.886 2.463 10 20 JECD COc1ncccc1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O 1848206987 QJQIBKAFELDCQD-ZGCXVMDJSA-N 453.495 2.055 10 20 JECD CN(C)c1ccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)cc1 18215396 QNHXEBMCRZLWHU-IBGZPJMESA-N 451.976 2.256 10 20 JECD COc1ccc(N2CCC(NS(=O)(=O)c3cccc(S(=O)(=O)NC4CC4)c3)CC2)cc1 726601640 RJKXVVVSANWHHK-UHFFFAOYSA-N 465.597 2.083 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1 857455756 NZSIRTCBGVTXEA-MRXNPFEDSA-N 469.466 2.291 10 20 JECD Cc1cc(C(=O)COC(=O)Cn2ccc(=O)n(C)c2=O)c(C)n1-c1ccc(OC(F)(F)F)cc1 915397689 ALTJTNHPUIVHON-UHFFFAOYSA-N 479.411 2.279 10 20 JECD COc1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c([N+](=O)[O-])cc1OC(F)F 918339097 BUJKGUFQIDSZIL-UHFFFAOYSA-N 485.465 2.370 10 20 JECD CCN1C(=O)C(=CNc2cccc(S(=O)(=O)NCc3ccco3)c2)C(=O)N(CC)C1=S 920974387 JWUNTWYLAHRBFP-UHFFFAOYSA-N 462.553 2.049 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccc3c(F)cccc31)C2)c1cc(O)nc(O)c1 1777846435 HTUGIOYNQSCPJH-CJFMBICVSA-N 482.512 2.414 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc3c(c1)CCCO3)C2)c1cc(O)nc(O)c1 1777848551 ZCPVFGMGXIIUDM-QFQXNSOFSA-N 481.549 2.188 10 20 JECD Cc1ncncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781121989 GUGVDHPLEUSZKV-XMSQKQJNSA-N 460.918 2.291 10 20 JECD Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1F 1785504091 WZYJEFVITHJCNX-HLZSCNFSSA-N 456.470 2.408 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cc1 1789593204 MLUMGNICKIREPU-IBWVBOCMSA-N 468.506 2.119 10 20 JECD O=C1C[C@H](C(=O)Nc2ccc(C3(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CCC3)cc2)CCN1 1791654626 GDZGNGWGLGDHJB-QGZVFWFLSA-N 473.533 2.440 10 20 JECD CCn1nc(C(C)C)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1799473033 SPKSAQGMMJBHEA-QDMKHBRRSA-N 463.629 2.139 10 20 JECD COc1c(C)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1C 1804335805 LROGOGGTSBYVGM-BJWYYQGGSA-N 461.609 2.424 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cc(-c2ccccc2)[nH]n1 1804335830 KNYROZZZTNDDQV-MUJYYYPQSA-N 469.592 2.189 10 20 JECD CC(C)n1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n1 1807994240 DZJSBPKMYINZKO-HRAATJIYSA-N 450.499 2.299 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnn3ccccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996008 LTFHUXXSDDQNIE-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1nccc2[nH]ccc12 1808087393 RSZHSOWUEMQEMJ-QRQCRPRQSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc2[nH]ccc2n1 1809794072 PFOBFTZZJKSBJP-QVKFZJNVSA-N 494.602 2.138 10 20 JECD Cc1nc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)c(=O)[nH]c1C 1811797091 AYYVCLZMMJMVMK-MGPUTAFESA-N 497.939 2.480 10 20 JECD N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811804625 ZFXNBRPKDBGWMT-PIPMEXSNSA-N 495.967 2.431 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)n[nH]1 1814190370 YNLRHIDCZXFECD-YWZLYKJASA-N 486.623 2.108 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc(O)nc(Cl)c1 1816188991 IZBWSTUDNLDDKC-GFCCVEGCSA-N 494.986 2.330 10 20 JECD Cn1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)c(C(F)F)n1 1817825851 LGAGFAREVTYBMK-VIFPVBQESA-N 464.454 2.160 10 20 JECD Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)n[nH]1 1819986778 PWBICZDESKUYJM-AWEZNQCLSA-N 477.550 2.122 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1824403979 ZESXPGIBOPHLQZ-ACMHHVSHSA-N 473.570 2.351 10 20 JECD Cc1nc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cs1 1825202947 XJJYDCWBEANEKX-QGZVFWFLSA-N 480.681 2.474 10 20 JECD O=C(c1cn2ncccc2n1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427258 JNLCYWPPIXFBCE-GOSISDBHSA-N 450.499 2.083 10 20 JECD O=C(Cc1cncnc1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715732 YMTBRIYKWVOFNV-QHCPKHFHSA-N 474.565 2.432 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1cccc(F)c1)CC2 1828242164 AXFIQZIGOMRTQQ-ZDUSSCGKSA-N 478.596 2.297 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2Cc3ccccc3O2)CC1 1828434094 MBDLZSHGXBKSBU-ICSRJNTNSA-N 487.647 2.470 10 20 JECD CCOC(=O)O[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1831139096 BCVRZMXJOBGGEI-GOEBONIOSA-N 485.628 2.028 10 20 JECD CCc1nc(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)co1 1835132786 NDBGZJIQUDBDSN-UHFFFAOYSA-N 492.580 2.215 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cn4c(F)cccc4n3)CC2)CC1 1838030359 RLHSLEDOLZUJOF-UHFFFAOYSA-N 483.500 2.206 10 20 JECD Cc1ncc(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)s1 1838031773 LNVXZODARXBCRZ-UHFFFAOYSA-N 460.556 2.113 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccon4)C3)C2)cc1 1839348433 ASFDIBVTBROOPD-VWLOTQADSA-N 464.522 2.466 10 20 JECD COc1ccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)c(Cl)c1 1846849515 VLFFSYYHLYSHKP-UHFFFAOYSA-N 453.973 2.026 10 20 JECD O=C(c1cccc(-c2ccccc2)n1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054460 QERXSCPETDMXEP-UHFFFAOYSA-N 466.588 2.426 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N3CCC[C@@H]3C(=O)Nc3ccc(OC)cc3)nnc2n1 108783867 DXDREJNQXXLPSJ-MRXNPFEDSA-N 499.601 2.113 10 20 JECD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)C2CC2)cc1 726289902 HOTIPTBYXHZWJF-UHFFFAOYSA-N 459.568 2.306 10 20 JECD C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 729595737 ACFPHDPZYGHNTG-WOJBJXKFSA-N 461.626 2.487 10 20 JECD CN(CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)Cc1ccc(N2CCOCC2)cc1 741734419 RNMWUQSPCCYBNJ-QHCPKHFHSA-N 463.644 2.303 10 20 JECD COCCN1C(=O)/C(=C/Nc2ccc(Br)cc2Br)C(=O)NC1=S 920976731 QVIJTBYTYVCCFP-VQHVLOKHSA-N 463.151 2.397 10 20 JECD Cn1ccc2cccc(C(=O)N3CC[C@]4(CN(C(=O)C5=NN(c6ccccc6)C(=O)C5)CCO4)C3)c21 1777967855 OEVARXKAATYBFS-HHHXNRCGSA-N 485.544 2.415 10 20 JECD C[C@@H]1C[C@]1(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127710 VDYLQLMSANDBHZ-HWKVCKQJSA-N 452.555 2.339 10 20 JECD COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)cc1O 1783785541 YVINUPGTUGVWLK-HTZUNMPGSA-N 490.940 2.301 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)ccc(O)c3F)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540081 BBDIAQCZBCUHEV-UVFQYZLESA-N 498.486 2.057 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cc(F)ccc1F 1789438757 GIKQEUKRPXILKH-PRSSHNPISA-N 474.460 2.388 10 20 JECD COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1794581194 NBQDMAAMWJPGCS-JHDGKUDLSA-N 477.565 2.353 10 20 JECD CO[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccccc1 1795169120 SIWWZIOMZIWYIP-NNNWTRQLSA-N 460.914 2.342 10 20 JECD CC(C)(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cn1 1796479159 KBJHSVJRPWDTFM-NHKMSHSESA-N 489.576 2.375 10 20 JECD CC(C)(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1ncc(Br)cn1 1796600848 JBSQPPQSKQBMBZ-QDMKHBRRSA-N 490.358 2.275 10 20 JECD CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796603321 JBSXCANYUXLLPQ-YYIAUSFCSA-N 462.547 2.438 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796935543 RRHFJVYRTIXULM-GGPHIMKMSA-N 483.569 2.332 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1[C@H]2c3ccccc3S[C@H]21 1798456759 HCXFRHOBUZBCAL-DXFVUHNNSA-N 473.645 2.373 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc(-c2ccccc2)[nH]n1 1798662871 CEQYNEUPLJGQKU-HBNMSFMJSA-N 498.543 2.073 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@@H]1C[C@H]1c1ccccc1 1800921890 GPKLOOXDYPUNDU-MYUHRCNTSA-N 472.545 2.173 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c(Cl)cccc13)C2 1802079824 ZTWHOEKBSRSKII-BTRCDTFPSA-N 498.923 2.250 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cnco1 1803872755 IYAPUOOCJIWZPA-SFFRXTGVSA-N 450.451 2.219 10 20 JECD Cc1ccc(CCC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)nc1 1804539836 BBZOVNGIVNKGHT-JPYJTQIMSA-N 497.646 2.284 10 20 JECD Cn1ncc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1C(F)(F)F 1804821285 GNTVCMJTZIGCHG-SCLBCKFNSA-N 490.442 2.274 10 20 JECD CC(C)c1cc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)no1 1806013789 VMLAIHFQIYLNDN-MGPUTAFESA-N 487.607 2.373 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3coc(Cl)n3)C2)CC1 1807635487 LVGDKFJWCASEHC-UHFFFAOYSA-N 456.977 2.033 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1ccncc1O 1810663163 XKRMHLLCKVYJHG-HOYKHHGWSA-N 484.516 2.295 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cccnn1 1810728025 ZJRTUOFWDFOTGL-QSUDOZCYSA-N 461.478 2.021 10 20 JECD CCC1(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)COC1 1812494296 RXHWSRNPENNXQA-HQWUWBFJSA-N 467.522 2.344 10 20 JECD COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)cc1 1813956455 ZOJFNIRPGNCFIF-AWEZNQCLSA-N 454.508 2.426 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@H]1CC(=O)N(C2CCCC2)C1 1815612363 NQPSFSOQLHHMNV-MAUKXSAKSA-N 482.541 2.313 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(-n3cncn3)c1)CC2)c1cc(O)nc(O)c1 1816728517 HTWRWGOFBWASSZ-AWEZNQCLSA-N 477.506 2.070 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816730008 YELZEDJZWMYGPX-SWLSCSKDSA-N 453.524 2.449 10 20 JECD CCO/C=C/C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817366942 KLNWCISZRUZPQV-VNDWYCCKSA-N 453.524 2.398 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cnoc3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1817449538 UEFLSWRTDIFZSY-CYBMUJFWSA-N 450.480 2.150 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2csnn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818145709 HBJYJKUUFGJGQX-KRWDZBQOSA-N 464.511 2.360 10 20 JECD Cc1ccnc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c1 1818194572 SVCHIEMDAFXEDE-OAHLLOKOSA-N 458.569 2.279 10 20 JECD C[C@H](Cn1cncn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832875982 FDJDGSBOCDSORN-YSKVMHACSA-N 483.569 2.364 10 20 JECD O=C(c1cccc2nccn12)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900998 ZPWRYFSAIRSLNA-KRWDZBQOSA-N 485.635 2.428 10 20 JECD CC(C)N(C)CC(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838817454 LJRQAHOQLYLQJB-FNORWQNLSA-N 475.586 2.155 10 20 JECD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1843385093 MIJGGYQOEXWSNN-HNNXBMFYSA-N 483.949 2.108 10 20 JECD CCOc1cccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1O 1845492198 ZPXSIZZOHCWZFK-CSKARUKUSA-N 454.479 2.438 10 20 JECD Cc1nn(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c(C)c1[N+](=O)[O-] 18424504 VNEBHAUZPIKHEU-LZYBPNLTSA-N 489.535 2.154 10 20 JECD COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccccc4OC)n3N)CC2)cc1 23473522 GUTCMBOXXSDYFI-UHFFFAOYSA-N 454.556 2.117 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 726725478 FHOSBVFREGGOPE-UHFFFAOYSA-N 488.610 2.449 10 20 JECD COCCOc1cc(NC(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)ccc1OC 726726184 OMEJIVSTIPPGEZ-UHFFFAOYSA-N 457.527 2.453 10 20 JECD COc1ccc(N2CCN(CCNC(=S)NCCc3ccc4c(c3)OCCO4)CC2)cc1 726748927 ZQJSAUMFZDRKHC-UHFFFAOYSA-N 456.612 2.295 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)cc2F)C[C@@H](C)O1 727038163 WAWLJRYJXSILHS-IYBDPMFKSA-N 452.490 2.275 10 20 JECD COc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)c1O 727762232 GFNPBDXOBMSENC-HNNXBMFYSA-N 454.932 2.442 10 20 JECD C[C@@H](OC(=O)c1ccc(CS(N)(=O)=O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 746629951 ZSERZHHSBSKNNC-CQSZACIVSA-N 492.509 2.435 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 917707572 OHOQNJWGCNXJGX-KRWDZBQOSA-N 455.486 2.103 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2F)C[C@@H](C)O1 917918852 UGLITUKJZKPZRU-IYBDPMFKSA-N 485.603 2.168 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)c2ccc(I)cc2)c1 920636803 MBRHIEAJQATLGE-UHFFFAOYSA-N 475.260 2.408 10 20 JECD Cc1nc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)sc1C 1779948110 KCAWRNAIAXTNLY-UKKYDJSUSA-N 459.524 2.034 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCN4CCOC4=O)CCO3)C2)cc1 1781753175 GDBCHHKPILZLLE-AREMUKBSSA-N 480.565 2.380 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1782007828 QONBIXNDWPLDEA-HSZRJFAPSA-N 473.913 2.467 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008668 FXGDMRLBWNHRMT-NPMXOYFQSA-N 459.930 2.469 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785507493 QCAADZYXCVOEJO-VJAVOHLOSA-N 467.522 2.147 10 20 JECD CO[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1785509533 URXXFBVDSUYDSX-CELOHEHMSA-N 468.506 2.034 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1ccncc1-c1ccccc1)CCO2 1785541402 UHPBESQUWAGFPR-XMMPIXPASA-N 496.614 2.052 10 20 JECD CC(C)(C)OC(=O)NCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1785570017 IRKZGBGQPGFLLF-QHCPKHFHSA-N 497.976 2.500 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243575 YKYMFJBKZILRPW-UZSDIVCKSA-N 485.968 2.059 10 20 JECD COc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1 1795513939 CEMBJQWSCYECTM-BJWYYQGGSA-N 461.609 2.126 10 20 JECD Cc1nn2cc(CC(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3=NN(c4ccccc4)C(=O)C3)nc2s1 1796931153 PTSQRSIZJOXJDK-IDHPPYADSA-N 491.577 2.073 10 20 JECD Cc1cc(F)cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1 1802082684 YXSXGKJGWMGMFU-LQVARWHBSA-N 470.497 2.096 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)CSc3ccncc3)C2)CC1 1806863471 WBORDMCSKUJHTH-UHFFFAOYSA-N 478.665 2.265 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2n[nH]c3c2CCCC3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994059 NNWGJDXTFAFASG-NYHFZMIOSA-N 462.510 2.123 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3ncccc3[nH]2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999608 MQCOCKICEPPIAE-NYHFZMIOSA-N 458.478 2.398 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)[S@](=O)c1ccccc1 1808001215 RUEBSIQOVNQZKM-AAEOXALNSA-N 494.573 2.404 10 20 JECD CC(=O)CCC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808467291 FITKUYKSGFXIBR-NTKDMRAZSA-N 461.522 2.250 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC2(CCCN(C(=O)c3nc4ccccn4n3)C2)CC1 1810471965 MPGUTUOQTHGEOT-UHFFFAOYSA-N 485.548 2.367 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cn2c(F)cccc2n1 1812180813 PVYPMWFNUZKJOI-OYHNWAKOSA-N 476.468 2.308 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cnn2cccc(F)c12 1812282069 JOAAINMXSIRRJC-BTYIYWSLSA-N 476.468 2.308 10 20 JECD C[C@H](Oc1ccccc1)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1812762564 RMQMLGYIKSNORN-CECAUBDESA-N 498.630 2.415 10 20 JECD O=C(CCc1cnccn1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813444209 RZXOEXAKNZTZHX-IBVKSMDESA-N 497.559 2.303 10 20 JECD CC(=O)Nc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1813891066 ZDNXMAZTANLVJZ-JPYJTQIMSA-N 475.505 2.480 10 20 JECD CCCC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814163689 IFGSPPCQNANMDI-XMVZLJSVSA-N 496.564 2.222 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cnc1C 1814184646 CECYQMJYJAJSOK-UTKZUKDTSA-N 483.619 2.273 10 20 JECD Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)nc1C 1814186461 PLHHGVMQRKUBRY-DYESRHJHSA-N 483.619 2.273 10 20 JECD Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)nn1C(F)F 1821558533 DKSBOZYWHPUXRR-JTQLQIEISA-N 464.454 2.389 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccnc1Cl)CC2 1828244043 ZHDZFCLLNMOJJP-VIFPVBQESA-N 482.012 2.278 10 20 JECD C[C@](O)(CC(=O)O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1831864467 JDBCFVIXUSIZPM-QFQXNSOFSA-N 498.580 2.015 10 20 JECD Cc1nccn1[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832315099 AYDLTBNZUPHAEN-QAPCUYQASA-N 477.656 2.233 10 20 JECD O=C([C@@H]1CCCS1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900387 RSOWZCOVNBTRAN-CVEARBPZSA-N 455.671 2.362 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc[nH]2)CCO3)cc1 1834105847 HAGMBVQUXOJFFF-RUZDIDTESA-N 463.538 2.201 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1nccc3[nH]ccc13)CCO2 1836445503 QJYWDWHVZADJSU-QHCPKHFHSA-N 486.912 2.011 10 20 JECD Cc1c(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)nc2ccccn12 1838031436 DMONOUPMDFNZHY-UHFFFAOYSA-N 479.537 2.375 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031667 BOHSIPUBZWFTAW-KRWDZBQOSA-N 462.591 2.083 10 20 JECD O=C(C[C@H]1COc2ccccc2O1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843440790 ALMFUMQWDRHSKM-IBGZPJMESA-N 474.517 2.213 10 20 JECD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1844287387 SLHOFKWTHLGWCB-QHCPKHFHSA-N 481.549 2.406 10 20 JECD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 10963581 CXOBHGIYIJJRLO-UHFFFAOYSA-N 472.611 2.433 10 20 JECD COc1ccc(N2CCC(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)cc1 726562420 MJTDPUJJMZYMRR-UHFFFAOYSA-N 479.624 2.105 10 20 JECD COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1nc(-c2cccc(-n3cnnn3)c2)cs1 727251605 ZKHIPGQHPFMEQV-UHFFFAOYSA-N 485.551 2.231 10 20 JECD CCOc1ccccc1[C@@H](CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC(C)=O 728268506 NICBYUCYICOLCM-JOCHJYFZSA-N 473.595 2.204 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CSc3nncn3-c3ccc(OC)cc3)CC2)cc1 742921664 XBGWDCVLSXEIPL-UHFFFAOYSA-N 482.610 2.315 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)CC2)cc1 747240684 VXJFMBPNQRGSMH-UHFFFAOYSA-N 481.958 2.226 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2F)C[C@H](C)O1 918149213 RTXDARIGZSECJM-HOTGVXAUSA-N 464.563 2.129 10 20 JECD CNS(=O)(=O)Cc1ccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918200377 FTAVEYQTILFUBC-IAGOWNOFSA-N 478.590 2.488 10 20 JECD CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)ccc1F 918645354 SGXBJZHPWWQFCH-UHFFFAOYSA-N 497.614 2.067 10 20 JECD O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919729708 KJWXNMDXANZFFO-UHFFFAOYSA-N 472.502 2.329 10 20 JECD O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971384 UEPNHWVZRMMSSB-UHFFFAOYSA-N 471.501 2.050 10 20 JECD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc(O)n1 1778040256 LIVOJVIKKLFPQD-QFQXNSOFSA-N 491.548 2.016 10 20 JECD O=Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)s1 1778127877 OFMCJQGHYIUNMN-PXDATVDWSA-N 494.573 2.481 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CC[C@H](O)CC2)C1 1782325847 NFDBKJQWDNELJD-NDWZINJKSA-N 466.962 2.430 10 20 JECD COc1ccc2c(c1)CC[C@@H](CC(=O)N1CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C1)C2 1787291862 IBGFOCXUQFIJBU-BWPZPKMVSA-N 495.576 2.290 10 20 JECD C[C@@H](Cc1ccco1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787541449 PRVYIABMZBKAKN-CFFRYYMNSA-N 478.549 2.231 10 20 JECD O=C(Nc1ccc(C2(NC(=O)c3cc(O)nc(O)n3)CCC2)cc1)C1=NN(c2ccccc2)C(=O)C1 1788672514 NBLSUFQANUJPHX-UHFFFAOYSA-N 486.488 2.428 10 20 JECD COC[C@@H](NC(C)=O)C(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1789654423 DQCHWLPCKMWBQW-JOCHJYFZSA-N 491.548 2.065 10 20 JECD COc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)n1 1790242923 DJHDCWIBGMHSAR-VHFSOBRXSA-N 489.956 2.381 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1[nH]nc2ncccc12 1796931762 JDHDMSNTRGRRGK-ACHSLPGTSA-N 457.494 2.003 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ncccc2c1 1797326791 PFPVOYIKHSDXHW-BJWYYQGGSA-N 454.577 2.347 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)[C@H]1CC(=O)N(C2CCCC2)C1 1804284010 WUROAMYNAZNIGZ-HFXSTPQUSA-N 483.565 2.246 10 20 JECD Cc1cc(CC(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)nn1C 1805714706 QONKRDABRISRKJ-UHFFFAOYSA-N 476.581 2.295 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccn(C(F)F)c2=O)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995532 QWIPMPHIFPZLRR-AUUYWEPGSA-N 485.447 2.078 10 20 JECD COc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] 1808000440 IPYHRHZIBVQTHT-KSFYIVLOSA-N 493.476 2.438 10 20 JECD Cn1c(C(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)cccc1=O 1811797477 GIATUTOJZLUYJC-QVKFZJNVSA-N 482.924 2.478 10 20 JECD CN(C)c1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1811919252 NVVYJNSPRCBKNS-GCJKJVERSA-N 497.646 2.328 10 20 JECD CCN(C)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1812316270 ORZIFNAXUQHXGU-KTVLDTPSSA-N 468.554 2.258 10 20 JECD Cn1cccc1C(=O)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813477693 QDQUFBOIVNFYDT-NTKDMRAZSA-N 498.543 2.102 10 20 JECD Cc1cccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)n1 1814974913 BQZSTIZIEQJRAF-MRXNPFEDSA-N 472.596 2.208 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccns1 1816275946 RBHQVHWSZGJYRK-LLVKDONJSA-N 450.571 2.032 10 20 JECD Cn1cccc1C(=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1822866326 ODBWGWGQCYPWMI-IBGZPJMESA-N 487.520 2.416 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3c[nH]nc3c1)CC2 1828242467 IHHKKQQWFFCPEB-GFCCVEGCSA-N 486.604 2.106 10 20 JECD CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1828763408 QRBHWQKCUWTOCE-APWZRJJASA-N 483.949 2.049 10 20 JECD Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)nc2nccn12 1830928991 OKKIUZPJTORWIL-IBGZPJMESA-N 464.526 2.391 10 20 JECD O=C(c1c(Cl)cncc1Cl)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847051120 QKPIDUYIRUJRFE-UHFFFAOYSA-N 459.380 2.066 10 20 JECD Cn1c(N)c(C(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)c(=O)n(C)c1=O 109622718 KHUBXNOAAVZKGD-UHFFFAOYSA-N 453.446 2.067 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CC[C@@H](N2CCCC2)C1 727225911 RBMRAKPNTGDQAX-HXUWFJFHSA-N 453.566 2.322 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)CC2)cc1 742927644 WSGMIYZVLDKQFA-UHFFFAOYSA-N 474.627 2.114 10 20 JECD CC/C(NCCCN1CCN(c2ccc(OC)cc2)CC1)=C1/C(=O)NC(=S)N(CC(C)C)C1=O 814398592 MHDAKEMGIUTXPU-QURGRASLSA-N 487.670 2.360 10 20 JECD CS(=O)(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)n2)cc1 818789044 FGSWXSSNPHZXEM-UHFFFAOYSA-N 480.549 2.313 10 20 JECD COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 819427963 WZBCIILDAWHXDG-KRWDZBQOSA-N 463.508 2.335 10 20 JECD O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)NCC(=O)N1CCCC1 823022343 GSJLBTORZNLBID-UHFFFAOYSA-N 454.866 2.011 10 20 JECD COc1cccc([C@@H](CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)N(C)C)c1 918118204 PEEQQQZZWFPWES-NZQKXSOJSA-N 453.587 2.499 10 20 JECD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)ccc21 918140162 JRMGRPNLVZRKJC-GJZGRUSLSA-N 454.502 2.392 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(-c4nnnn4C4CC4)c3)CC2)cc1 918462082 QNGAUKSSDIJCAK-UHFFFAOYSA-N 461.526 2.361 10 20 JECD O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919730071 MTAFYUVLLJDQJE-UHFFFAOYSA-N 472.502 2.329 10 20 JECD CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 919793279 BIDCVZXDIQSNRB-YLJYHZDGSA-N 479.581 2.172 10 20 JECD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 919879434 DRHKWDVCDQUJSK-UHFFFAOYSA-N 495.598 2.487 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cnn2ncccc12 1777949458 NKFMNQZCNAKSQZ-AUSIDOKSSA-N 485.928 2.235 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc(O)cc1 1780441612 JAJHTOVVEMHYBV-SXEWRAPISA-N 468.506 2.350 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1782211161 BVEDZINWRAUWGW-QFIPXVFZSA-N 456.886 2.385 10 20 JECD COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cc1 1786547563 DTRQIUVSTMWJDR-CUDYJJFBSA-N 482.533 2.048 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4sccn4c3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539087 MJDPDXSUXZAZFJ-LRQRDZAKSA-N 491.573 2.387 10 20 JECD C[C@H](C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1)N1C[C@H]2C[C@@H]2C1 1792315246 UBBJTFONDZGZBO-BZUAXINKSA-N 472.636 2.321 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC12CCCN1CCC2)C1=NN(c2ccccc2)C(=O)C1 1799999168 JUJJHMSJCFXJJU-NUZGMZIFSA-N 463.582 2.436 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2c(c1)CCNCC2)c1cc(O)c(O)c(Cl)c1 1801309904 DQKZITUCCWYCBX-BCDXTJNWSA-N 470.957 2.400 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3Sc4ccccc4[C@@H]31)C2 1802079563 KLCPMEBGYBORDO-WDISSQSASA-N 494.569 2.294 10 20 JECD O=C(CCn1c(=O)oc2ccccc21)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804283978 SQPZQJIDRGOKQK-GFPDGJBOSA-N 493.516 2.453 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cccc2cccnc12 1804333589 SXIUMEVAGREWOG-MUJYYYPQSA-N 454.577 2.347 10 20 JECD COC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1806377029 HDJYCFCKDVLBFZ-VLIAUNLRSA-N 461.902 2.419 10 20 JECD Cn1ncc2cc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)ccc21 1807996272 PZTSALIIGNVRAT-UZUQRXQVSA-N 472.505 2.408 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)no1 1808468845 ZXCSFDMBTUWYGW-FDDCHVKYSA-N 472.505 2.491 10 20 JECD Cc1ccc(O)c(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1811765186 XUGQLLGAIUXZGS-IIBYNOLFSA-N 484.603 2.276 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1nc2ccccc2o1 1812095405 RQKNCWOGUABVCW-YWZLYKJASA-N 495.586 2.403 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc4cccn4cn3)sc2C1)c1cc(O)nc(O)c1 1818578604 YQDGWALEOHSRAX-GFCCVEGCSA-N 450.480 2.137 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccc4ncncc4c3)sc2C1 1819192771 HBQOGDICMJPHMP-ZDUSSCGKSA-N 498.615 2.172 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccns2)[nH]n1 1823495859 DAXMIRJISJPRGL-NSHDSACASA-N 450.571 2.032 10 20 JECD O=C(CN1CCCCC1=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1825866186 VRMKUIFXJLVZCB-LBPRGKRZSA-N 478.958 2.446 10 20 JECD COCCOCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1826619250 HKUXZHOEXXVQPS-QFIPXVFZSA-N 470.570 2.062 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)cn2)CC1 1827124420 IQNJTNHTZJCZOW-GOSISDBHSA-N 478.615 2.243 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2nc3ccccn3n2)CC1 1827392944 QRQFTXIFSHRZGV-QGZVFWFLSA-N 450.499 2.083 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccnc(Cl)c1)CC2 1828240478 VQHZJQFQIKIFQE-SNVBAGLBSA-N 482.012 2.278 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CC=CCC1)CC2 1828243342 QFIPIOAEJYGOBD-VXGBXAGGSA-N 450.611 2.272 10 20 JECD COc1cc(F)ccc1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828249499 IRJMOPJKOHLCEP-LLVKDONJSA-N 494.595 2.377 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCCS2(=O)=O)CC1 1831287077 GNSUMUBHRHREAZ-SNPIWTPDSA-N 492.594 2.014 10 20 JECD O=C(Cn1cccn1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877297 DLAYRDNKSQQGRY-ZLQZBKBYSA-N 454.527 2.333 10 20 JECD O=C(c1cc2cn[nH]c2cn1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902844 ZECXBPKRQCVPHL-GOSISDBHSA-N 486.623 2.052 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(C(F)F)c1)CCO2 1833322039 JBFCWIYFJOYZDW-JOCHJYFZSA-N 497.882 2.468 10 20 JECD CC[C@@H](C)[C@@H](N)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1834687239 MOBCRJRKKQBBIG-JLTOFOAXSA-N 467.010 2.310 10 20 JECD CCc1ncsc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1836205982 CZUYAYLWOJZGBA-UHFFFAOYSA-N 459.572 2.011 10 20 JECD C[C@H]1CCc2c(C(=O)N3CCC(OC4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)n[nH]c21 1838031495 IPICLHKFCHFSSH-AWEZNQCLSA-N 469.542 2.192 10 20 JECD Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)cc1 1838601094 HLOXWIOGAOYJIZ-UHFFFAOYSA-N 475.636 2.468 10 20 JECD COc1cc(C)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840680306 VIIRQEGNXJJHBC-DEOSSOPVSA-N 490.940 2.452 10 20 JECD Cn1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C3)c1 1842345418 AYSCINBPZVLWSU-LJQANCHMSA-N 498.580 2.389 10 20 JECD COc1ccc(-c2cc(C(=O)N3CCCC34CN(C(=O)c3cc(O)nc(O)c3)C4)no2)cc1 1843453660 OYMICJPEYMDVRV-UHFFFAOYSA-N 450.451 2.287 10 20 JECD C[C@H]1[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CCCN1C(=O)OC(C)(C)C 1845144795 XXIPBLASZCMBKV-RDJZCZTQSA-N 474.558 2.345 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2nccnc2C(N)=O)C3)cc1 1845398887 OFQJXJJIWLWJAS-UHFFFAOYSA-N 458.522 2.114 10 20 JECD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845502639 WCRYKVMPNPAEOG-CQSZACIVSA-N 457.914 2.387 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccc3sccc3c2O)C1 1845661148 MSUNRSSRFNUUGY-UHFFFAOYSA-N 461.590 2.284 10 20 JECD O=C1C[C@H](C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)CN1Cc1cccs1 1847033855 LDAQIEMIVKSUHC-UABRLCRWSA-N 497.573 2.130 10 20 JECD C[C@H]1CN(C(=O)COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C[C@@H](C)O1 10926378 LRFSFTPPZOYMNG-BETUJISGSA-N 452.419 2.163 10 20 JECD C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 915408874 KKGQMYJPLBNTNN-CYBMUJFWSA-N 495.513 2.224 10 20 JECD CCN(CC)C(=O)N1CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 916978218 IFGQXICOXRMLCF-OALUTQOASA-N 463.598 2.135 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Br)cc3)cc2)C1 918464637 XZOKCGIVDBMHHH-OAHLLOKOSA-N 459.344 2.406 10 20 JECD CC(C)C(=O)NC1CCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 919784759 SYZHOUSQSCLFNO-UHFFFAOYSA-N 483.592 2.389 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)CC2)cc1 920256017 NBUWSZKDHXJDTG-GLCJEOIMSA-N 482.625 2.397 10 20 JECD COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCOCC1 920879938 ZKQQOOIMJFMBKW-GOSISDBHSA-N 489.594 2.044 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126290 OVXUKMDUNGKZPD-PXDATVDWSA-N 461.522 2.002 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cn3ccc(Cl)cc3n1)CCO2 1785505919 RVTZMPLDSAQYHM-JWZSXRADSA-N 498.923 2.261 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1scnc1C(F)(F)F)CCO2 1785508762 LCPWGTVNEUCHDJ-ZFDYTMOGSA-N 499.467 2.436 10 20 JECD COc1cccc(Cl)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1792019295 HABLJFDVAXXZEP-JDFRZJQESA-N 461.902 2.062 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)ncn2)C3)cc1 1799620075 NSUDLRCDSHBBOW-BBIADKPPSA-N 461.522 2.107 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(CO)on2)C3)cc1 1799620905 NUNBOEJSLUHBJG-BBIADKPPSA-N 464.522 2.091 10 20 JECD CN(C)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c1 1799768941 HLCIYINZXRBUHQ-CWPLJXCYSA-N 459.930 2.334 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)c1cccc(Br)c1)c1cc(O)nc(O)c1 1799873465 JYSHUGHWSNFBFT-RCJHGTSTSA-N 476.327 2.241 10 20 JECD CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1801891718 XOJZDNYRZIUZFL-GOOFNZECSA-N 472.542 2.002 10 20 JECD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804289140 XOAZFHWCZBJWJT-UWDCVYNISA-N 497.523 2.412 10 20 JECD O=C(CCc1cnc[nH]1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1804427239 PXCQBCWZHVBGFX-UQBPGWFLSA-N 485.548 2.236 10 20 JECD CN1CCC(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)CC1 1804939930 SQYREECPXXXIPS-GQCTYLIASA-N 457.571 2.390 10 20 JECD COc1ccc(OCC(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)cc1 1805171693 FBXMBEVRSSAHIV-UHFFFAOYSA-N 455.511 2.425 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3ncncc3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994741 BDRIDCNOMCVEFU-SBUREZEXSA-N 470.489 2.464 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2cnccc2n1 1809147525 RKSHKZLRMSVXSL-HXOBKFHXSA-N 470.489 2.464 10 20 JECD COc1ccc2[nH]cc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c2n1 1811321807 OIPNSCINCWETBN-NPMXOYFQSA-N 488.504 2.406 10 20 JECD CCC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814165506 GEBIRYOUNDOQBT-JJQMRZQHSA-N 496.564 2.222 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cnc(Cl)nc1 1814329530 GWRVKGJZLVAOPO-LBPRGKRZSA-N 479.975 2.019 10 20 JECD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848563 QICKXHOVHCPZIV-INMHGKMJSA-N 469.498 2.277 10 20 JECD Cc1ccn2c(=O)c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)cnc2c1 1818741311 NQWGWCNSTIUFMB-QGZVFWFLSA-N 489.492 2.152 10 20 JECD COC(=O)CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823499830 ZVFCNPBVHPDGCW-HNNXBMFYSA-N 495.627 2.386 10 20 JECD CN[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1)C(=O)O 1826944446 CLGRISVSAVGVIP-IAGOWNOFSA-N 467.950 2.047 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)Cn2cccn2)CC1 1827209373 FYSGUIFOHYOBMP-QFIPXVFZSA-N 462.554 2.296 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C3CC3)on1)CCO2 1830198816 SDLRSIIWYHBJRS-JOCHJYFZSA-N 477.901 2.000 10 20 JECD COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)nn1C 1832877126 VCYIJCDLZCODDQ-XSBJJCPUSA-N 484.553 2.492 10 20 JECD COC(=O)C1(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1832878370 MUQXDRAEQILHHQ-JHTBKMLMSA-N 472.538 2.390 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3ccc(O)c(F)c3)CC2)CC1 1838666886 JXPZTXLVDZQKJB-UHFFFAOYSA-N 495.598 2.004 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ccsc3[nH]1)CCO2 1839522635 QIENBUAYOFZQQQ-JWZSXRADSA-N 499.545 2.130 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845502578 OKGDGBLQDAOCOF-UHFFFAOYSA-N 453.923 2.483 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CC[C@H](N2CCCC2)C1 727225910 RBMRAKPNTGDQAX-FQEVSTJZSA-N 453.566 2.322 10 20 JECD C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(S(=O)(=O)N(C)C)c1 727601139 NCMUIAGZNWDJOG-INIZCTEOSA-N 464.563 2.473 10 20 JECD CN(C)c1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1F 746864426 JYWBBVXKYXBDGF-UHFFFAOYSA-N 451.520 2.038 10 20 JECD CN1CCCc2cc(CNC(=O)C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)ccc21 747018200 XACWBULTLKIELM-UHFFFAOYSA-N 460.531 2.003 10 20 JECD COc1c(F)cc(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1S(N)(=O)=O 751406999 SRSRLTGGQIERHT-IBGZPJMESA-N 479.574 2.298 10 20 JECD COc1cccc(C(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 802189205 WAGVOBXDRHDHPK-UHFFFAOYSA-N 472.453 2.382 10 20 JECD CCOC(=O)N1CCC[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 912877671 QYFCNMIAIQMYPV-QGZVFWFLSA-N 491.566 2.336 10 20 JECD CCC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 915744369 BCHJOGWJKJTUAM-UHFFFAOYSA-N 467.570 2.311 10 20 JECD CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 916676980 XRPXNGVQOIVQSI-QFIPXVFZSA-N 490.601 2.345 10 20 JECD CC(=O)c1ccc(N2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)c(F)c1 917031669 BHYBNSQYTPXJLM-UHFFFAOYSA-N 472.536 2.442 10 20 JECD CN(C)S(=O)(=O)c1cccc(NC(=S)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 917596385 RRVVPSYNISZTRO-QGZVFWFLSA-N 475.640 2.125 10 20 JECD CNS(=O)(=O)Cc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918200376 FTAVEYQTILFUBC-CALCHBBNSA-N 478.590 2.488 10 20 JECD CC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1Cl 918462461 AHRNSVQNQPUCNP-MRXNPFEDSA-N 471.945 2.255 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3cnn(C)c3-n3cccc3)cc2F)C[C@@H](C)O1 919056426 FZDUAMTZFRQQSU-IAGOWNOFSA-N 469.517 2.437 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccn(Cc2ccccc2)c1=O 920457907 ZEPJBVMAQPDXQT-UHFFFAOYSA-N 451.548 2.061 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc(Cl)ncn1 1779899246 LZILWZQSCVHUHY-FKSJFJBLSA-N 488.928 2.088 10 20 JECD O=C(Cc1ccc(Br)c(F)c1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783027635 RMQZZINYEGFDRZ-NRFANRHFSA-N 494.317 2.081 10 20 JECD O=C(Cn1nnc2ccccc21)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1786609563 GEKFDNQWMNSFCZ-UHFFFAOYSA-N 494.602 2.426 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3ccc(CO)o3)CCC2)cc1 1792314920 IYCATQJEJSTTAI-UHFFFAOYSA-N 459.549 2.380 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(F)CCCCC1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479521 HLVFHFAWUXXHHJ-UPHUGPLXSA-N 456.518 2.041 10 20 JECD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)ccc1O 1799699214 DGWNHUMVEVEBBC-GGPHIMKMSA-N 462.506 2.446 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@H]1C[C@@H]1c1ccccc1 1800921886 GPKLOOXDYPUNDU-IOXNLNJLSA-N 472.545 2.173 10 20 JECD O=C(COc1cccnc1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1804340732 GJXTUAZUCMRAFJ-OXOXJNMLSA-N 490.516 2.392 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnn3cccc(F)c23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001311 UMXSJJJKVGDBIX-VFNWGFHPSA-N 476.468 2.308 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)CC2)C1 1810554556 NPYRZEPOYUWXAI-FQEVSTJZSA-N 463.538 2.104 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)n1cccc1 1814191819 NGVHPHAFDQWDTD-MDYRTPRTSA-N 471.608 2.010 10 20 JECD COC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362805 AFAIVYFOAGLSNF-CYBMUJFWSA-N 455.540 2.273 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CC(F)(F)C(=O)O)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146226 AGMHDWIGSZZFBL-INIZCTEOSA-N 488.451 2.305 10 20 JECD Cn1cccc1C(=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1822872527 HLDVZZQSMINBPR-DZZUKKPASA-N 479.493 2.453 10 20 JECD COC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708529 FKFAZCNLJZOGMC-JTQLQIEISA-N 453.904 2.387 10 20 JECD Cc1nocc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1826049306 IXVFRBOMKOPCAL-INIZCTEOSA-N 450.586 2.077 10 20 JECD COC(=O)C12CC(C(=O)N[C@@H]3CCc4nc(NC(=O)/C=C/c5ccc(O)c(O)c5O)sc4C3)(C1)C2 1828197533 AOTUZSQQBLJPBN-VVNZIRKMSA-N 499.545 2.229 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)COc1ccc(F)cc1)CC2 1828242946 XHDCNLPZDTYLBQ-LBPRGKRZSA-N 494.595 2.134 10 20 JECD O=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1832810442 UJVQXRDRTJIXDQ-QFIPXVFZSA-N 450.539 2.378 10 20 JECD Cn1ccc(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)c1 1835134356 HIMULNYRPLDPBF-UHFFFAOYSA-N 476.581 2.003 10 20 JECD COc1ccc2[nH]cc(C(=O)NC3CCN(C4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)c2c1 1835554845 NWFAAANCTUUABW-UHFFFAOYSA-N 493.564 2.482 10 20 JECD COc1cnc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)cn1 1837572425 LWJZBIRQAZPMJE-UHFFFAOYSA-N 490.944 2.476 10 20 JECD CCc1nn(C)c(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1Cl 1842252669 OKGQNMUKRDFBCZ-UHFFFAOYSA-N 468.945 2.246 10 20 JECD Cc1nccc(C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)n1 1843549851 LOLLNNHKRBGPQG-OAQYLSRUSA-N 494.596 2.320 10 20 JECD COC(=O)CCCCCC(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1846427714 SMHCVWKUPAJCAH-UHFFFAOYSA-N 454.527 2.106 10 20 JECD O=C(c1cccc(N2CCOCC2)c1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038294 MXWRLRCTAVXXEC-SOFGYWHQSA-N 479.533 2.170 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC12CN(C(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1847054880 WJLCZHUMINBVTL-UHFFFAOYSA-N 488.591 2.080 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 15485087 LVVPOOYXCYTZDF-UHFFFAOYSA-N 465.019 2.371 10 20 JECD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=S)NCc2ccc(S(N)(=O)=O)cc2)cc1 726446314 YEKUIGGTFVNQRE-FQEVSTJZSA-N 462.641 2.456 10 20 JECD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 726721670 FJUOGOZWPXBFRX-LJQANCHMSA-N 452.502 2.290 10 20 JECD CN(CCN1CCOCC1)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 727106704 SAVFBUOSODBOAA-VBKFSLOCSA-N 484.441 2.441 10 20 JECD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c1 728876531 DXEZAHIAHPCENK-UHFFFAOYSA-N 471.517 2.483 10 20 JECD Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1C(=O)NC(C)C 731285148 CLGDTQGZWXSBJS-UHFFFAOYSA-N 456.518 2.364 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C(=O)NC(C)C)cc3C)CC2)cc1 743432201 ITNBZDCHBFMDNZ-UHFFFAOYSA-N 481.597 2.019 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CN3C(=O)NC(C)(C)C3=O)c2C)c1 768109101 MBYVJVBOWLLTCD-UHFFFAOYSA-N 455.467 2.180 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 914666276 AMYOILMFMQMWBA-UHFFFAOYSA-N 463.531 2.148 10 20 JECD C[C@@H](OC(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 915403320 RMVMDWOIUVTFAT-CQSZACIVSA-N 497.463 2.448 10 20 JECD Cc1cc(NC(=O)[C@H](C)SCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)no1 917832940 IKVAJLZANPPNEC-RDJZCZTQSA-N 459.572 2.061 10 20 JECD CC(C)Cn1nc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2ccccc2c1=O 918338594 ZNJGUKKGPAZOIQ-UHFFFAOYSA-N 468.579 2.217 10 20 JECD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 918463236 JTRYMGHIASDVRC-GOSISDBHSA-N 499.999 2.435 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3ccc(N4CCNC4=O)c(C)c3)CC2)cc1 919694523 TUZBKCSQKXKMBX-UHFFFAOYSA-N 451.571 2.475 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 920924839 GLSROOLYSVJBCU-SFHVURJKSA-N 488.610 2.370 10 20 JECD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)ccc1C 1780779691 IAZFJUUJNZLMHF-AREMUKBSSA-N 476.533 2.240 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc2c(c1)C(=O)CC2 1781279882 ZHNLRYXGOZIJAQ-CJFMBICVSA-N 465.506 2.063 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)c(O)cc3O)C2)C1 1781475335 SWAVZFRWLJBYBZ-ZGVNINRLSA-N 490.896 2.025 10 20 JECD COc1c(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)ccc(F)c1F 1781844382 IMOPGSHGRAXSQY-RUZDIDTESA-N 498.486 2.210 10 20 JECD Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)nc2ccccn12 1782005360 AVPQPOZTNNYVDP-HSZRJFAPSA-N 470.913 2.465 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccc(F)nc1F 1783386098 ATWVBHHYDPYWAF-NKFCBESUSA-N 467.856 2.332 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cn3c(Cl)cccc3n1)CCO2 1785505454 IQNOWQQCLYWVKO-COIATFDQSA-N 498.923 2.261 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1cncc2cnccc12 1789171695 IUAPJSYAMUGWBU-OWSXEPHWSA-N 498.543 2.016 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCCS4(=O)=O)C[C@@H]32)cc1 1790125966 CLRHTCQLWVTHKQ-BIHRQFPBSA-N 499.633 2.265 10 20 JECD Cc1ccc2[nH]cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)c2c1 1793970193 QEEFDXNBHWWNGC-RLAOFKQWSA-N 491.544 2.439 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796600649 AZZGIKXLSKSPCZ-TXTZMMAHSA-N 492.548 2.340 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2ccccc2n1)C1=NN(c2ccccc2)C(=O)C1 1797344930 FGWFDPNNBIVAFC-GGPHIMKMSA-N 456.506 2.379 10 20 JECD COc1cc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1OC 1799706025 GCEWRXSKDCAAEF-FJQXNTCZSA-N 498.532 2.046 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC2(CCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)CC1 1806605996 OROXVZMKHZTJHI-GOSISDBHSA-N 470.570 2.129 10 20 JECD Cn1cc(CCC(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cn1 1807427137 NQLRSKVBRGTBDB-LVXARBLLSA-N 499.575 2.247 10 20 JECD Cc1noc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)n1 1811803331 HZEWWDSRDUOGQO-VLIAUNLRSA-N 471.901 2.400 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814190015 OHXAQBVSSXBKQW-AQOAWAETSA-N 498.630 2.415 10 20 JECD CNCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146726 ZKHVHXZSNZKKJM-LJQANCHMSA-N 451.531 2.194 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)COc2ccccc2F)[nH]n1 1823499473 ICDSCWKANITIDC-HNNXBMFYSA-N 491.570 2.480 10 20 JECD Cc1cccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)n1 1824285026 MGYNXSMXCMEZMR-IBGZPJMESA-N 474.652 2.413 10 20 JECD COC(OC)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714516 DEGFZWXNIOGFTI-HXUWFJFHSA-N 456.543 2.018 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C)COC2)CCO3)cc1 1830033676 CHJMELYQVQKWES-AREMUKBSSA-N 467.566 2.201 10 20 JECD Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)c1 1838591299 ZUEJVFHHEOJZDD-UHFFFAOYSA-N 475.636 2.468 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CNS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)C1 729327428 DCYPKISMJRWKGT-MRXNPFEDSA-N 498.527 2.002 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)N[C@](C)(c4ccc(C)cc4)C3=O)CC2)cc1 758161199 AVOWXCSGKPCEFY-HHHXNRCGSA-N 493.608 2.099 10 20 JECD O=C(COC(=O)[C@@H]1CCCN1c1ncccn1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 912953292 CRBGMACNIRCJNU-FQEVSTJZSA-N 456.458 2.403 10 20 JECD COC(=O)CCNC(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 915340218 OBEULHRBBYFJCK-UHFFFAOYSA-N 454.527 2.480 10 20 JECD COCC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 916404853 FOWIPCCLBCXHNM-QINSGFPZSA-N 453.611 2.047 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cc(Br)cn3)cc2F)C[C@@H](C)O1 917316776 WWDLYMUDXROJFQ-ZIAGYGMSSA-N 483.338 2.258 10 20 JECD O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918297274 PBCNMLFZNMSTCG-GOSISDBHSA-N 491.541 2.218 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCn3c(S)nc4ccccc4c3=O)cc2)C1 918373032 RLEXPJORSWXCLM-KRWDZBQOSA-N 465.579 2.093 10 20 JECD C[C@H](NC(=O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccc(N2CCOCC2)cc1 920927563 YNYJVKGINVIIOG-IBGZPJMESA-N 480.565 2.340 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cnc4ccccn34)C2)C1 1777824013 CZDOZXFBSXZNMU-QFIPXVFZSA-N 456.886 2.156 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cnc(Cl)s3)C2)C1 1779724713 AGNHNGYZCHBEQP-WLMDGNKMSA-N 465.915 2.070 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H]2CNC(=O)C2)C3)cc1 1780986400 KNXFVLLTXAMDFJ-WHCXKFMVSA-N 478.593 2.358 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)CC(N)=O)[C@H]3C2)cc1 1784599057 GRDFIALZRMDEEB-AAEGSUEWSA-N 466.582 2.199 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccccc3)CC1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479668 VLWMMLLQYCEMFR-NHKMSHSESA-N 472.545 2.101 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnn1 1798736832 XTGKMBYQMPJERW-XAPVIXHLSA-N 494.596 2.447 10 20 JECD CC(=O)N/C(C)=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1800172795 URSPKYJAWYKXON-RXIBNGGZSA-N 464.566 2.337 10 20 JECD CN(C)c1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1801197635 UINGYZNFJDIWCG-OOFLELLMSA-N 495.576 2.105 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1cc(O)ncn1 1803741726 PNTVKUFKVCTSGC-DJJJIMSYSA-N 469.885 2.275 10 20 JECD CN(C)C(=O)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1803973005 NOXVQSVFVMQEBJ-QQFNCUIESA-N 487.560 2.433 10 20 JECD CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1804389759 KASOEQIPZCBHGF-FZKCQIBNSA-N 498.671 2.178 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccnc3ncccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001725 WKHDOPDVKIFZDS-ZHRRBRCNSA-N 470.489 2.464 10 20 JECD CCc1cc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n[nH]1 1808468799 YCVHNRGAFXGSNE-MHECFPHRSA-N 485.548 2.480 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc2ccccn2n1 1809057369 MTDKKZUXFPOYPW-KSFYIVLOSA-N 458.478 2.169 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810548703 DEPSJNITAWTIEU-HNNXBMFYSA-N 462.547 2.251 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810552237 RDDONOSPWXDCAU-UHFFFAOYSA-N 477.521 2.131 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1[nH]cc2c1CCC2 1811291689 BACAEFDTSYTTSI-KKSFZXQISA-N 483.619 2.078 10 20 JECD O=C(CCc1cnccn1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813444210 RZXOEXAKNZTZHX-RXFWQSSRSA-N 497.559 2.303 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)no1 1814185241 AJDOVKHHHYMMIZ-YWZLYKJASA-N 487.607 2.373 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)C1CCSCC1 1814239793 VNLJLSOUXWDTLE-QFBILLFUSA-N 478.665 2.091 10 20 JECD Cc1noc(C)c1CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720819 AQDNIRDAQJGCJI-CYBMUJFWSA-N 457.512 2.413 10 20 JECD NC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)c1ccccc1 1823497142 AIHCNKKITUTLCM-NVXWUHKLSA-N 486.623 2.005 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1cc2cccnn2c1 1824154475 SEKOXSOENHWDQM-ZDUSSCGKSA-N 450.480 2.137 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1824527310 LTIWIDOUYCSLPK-GXTWGEPZSA-N 489.648 2.189 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1ccccc1)CC2 1828242248 GPNSAWDBVLOLNV-ZDUSSCGKSA-N 460.606 2.158 10 20 JECD COC(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1832068531 RNGNHRAPHLSXDY-MRXNPFEDSA-N 453.923 2.341 10 20 JECD Cc1nccn1CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832164287 SVWYSHYWJURIHP-IBGZPJMESA-N 491.683 2.452 10 20 JECD Cc1nn(C)c(C)c1CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899358 GATXRFPVXYEJMX-IBGZPJMESA-N 491.683 2.059 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1cncc(F)c1 1834254877 LJPDQQUFRIZNIX-UHFFFAOYSA-N 492.555 2.199 10 20 JECD Cc1ccc2oc(C(=O)N3CCC(N4CCC(NC(=O)c5cc(O)nc(O)c5)CC4)CC3)cc2n1 1834987049 SYCVLMMVUJDWDI-UHFFFAOYSA-N 479.537 2.441 10 20 JECD COCc1oncc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1835235644 DEDJYTJUBGNNBP-UHFFFAOYSA-N 492.960 2.385 10 20 JECD Cc1cc(C)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1840881259 LACVUSOUJBEOJP-CKUSHTOWSA-N 482.533 2.204 10 20 JECD O=C([C@@H]1CCc2ccccc2O1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442419 MXMAENGBKIYMMA-QFIPXVFZSA-N 458.518 2.377 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)CCN2C(=O)C=CC2=O)C3)cc1 1845397884 BKVGNFKFZGKRSW-UHFFFAOYSA-N 460.534 2.226 10 20 JECD CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1)C1CC1 1847620093 KLLAUJPBYAUNSD-IKGGRYGDSA-N 460.531 2.002 10 20 JECD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(c2ccccc2)C(=O)C1 1847954831 RXYKQSJEXTUDIJ-OALUTQOASA-N 483.569 2.284 10 20 JECD COC(=O)CSCc1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 728760770 HWNSEAMTOSUWPG-UHFFFAOYSA-N 457.552 2.184 10 20 JECD CCN1CCN(C(=O)CC2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)CC1 731280972 KPKVMSIEOMOQBR-UHFFFAOYSA-N 489.636 2.263 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Cc3c(C)nc(-c4cccnc4)nc3O)CC2)cc1 742920745 RZAZQVSXALTNMP-UHFFFAOYSA-N 462.554 2.042 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NC[C@@H](c3cccs3)N3CCOCC3)CC2)cc1 742939846 JSXNRIAYZJLSLS-QFIPXVFZSA-N 473.643 2.251 10 20 JECD COc1ccc(OC)c2c1CN(Cc1cc(C(C)=O)cc(CN3CCOCC3)c1O)C[C@@H]2O 915207066 ZDEWDWUPYNKUGZ-NRFANRHFSA-N 456.539 2.493 10 20 JECD Cc1cc(C(=O)COC(=O)c2cc3c(nc2O)CCC3)c(C)n1-c1ccc(S(N)(=O)=O)cc1 919304912 URMNDCJZHLYIAF-UHFFFAOYSA-N 469.519 2.371 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@@H]1CCN2CCC[C@@H]2C1 919782757 DSALREXETXVIGG-WOJBJXKFSA-N 453.566 2.368 10 20 JECD CN1CCN(c2ccc(CNc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2F)CC1 1332292449 XLGVOWCRSQEWQY-UHFFFAOYSA-N 461.607 2.126 10 20 JECD CC1=CC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)CC1 1778100575 HWHSSMFVPODYPM-CLOONOSVSA-N 450.539 2.356 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1781119513 LRHKQCNVDFXJNZ-PAHSVQHKSA-N 494.972 2.468 10 20 JECD CN(C)C(=O)c1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1782008101 VQLWUPPTPNDPKW-XMMPIXPASA-N 487.940 2.210 10 20 JECD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc2c[nH]nc12 1782264182 ZXSRRPWSTZWOBV-CMEKQAILSA-N 478.505 2.145 10 20 JECD CCN1CCC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CC1 1783299975 PDMDQNVRTUYEQP-YIXXDRMTSA-N 495.624 2.025 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)cc1 1784037967 HHRQDVLMCMPFQK-LVXARBLLSA-N 464.566 2.064 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)[C@@H]1CCc2ccoc2C1 1784235936 VTTQQZAHHIBDIP-YVCNVQEASA-N 482.533 2.194 10 20 JECD Cc1cncc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1 1785288106 AHCCLGYXZMSSGS-SSPYTLHUSA-N 489.576 2.095 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(Cl)n3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245104 REKDUKOVPQMHLO-PKWAYOAASA-N 467.309 2.102 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(Cl)cc(Br)c1 1801881576 PRNHPRMSEWFFIJ-IVWMJMPLSA-N 496.745 2.426 10 20 JECD CCOc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1 1802080561 VVWVPGYTTXVRFQ-JWMIDBARSA-N 468.506 2.119 10 20 JECD O=C(O)c1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)ncn1 1804968803 OGYGVCKXPYQQJE-BFUOFWGJSA-N 497.895 2.268 10 20 JECD O=C(CCc1cncnc1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1807509027 QZRNXIBVJSVHNG-OJTBMNRISA-N 489.532 2.340 10 20 JECD Cc1ccn(CC(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n1 1808465274 SKAWKEKVUANUJM-NBGIEHNGSA-N 485.548 2.085 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc(O)cc1F 1811055779 HXCRWDPWBPYQGK-QKKBWIMNSA-N 452.442 2.366 10 20 JECD CC(=O)Nc1ccccc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728190 MLZXPGYSUZIDQG-ZDUSSCGKSA-N 467.507 2.447 10 20 JECD O=C(CC1(O)CCC1)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367054 QSRGBVKNJIETSQ-AWEZNQCLSA-N 467.551 2.153 10 20 JECD CC(C)(C)OC(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817847241 PQYNVWOXWSLWQC-AWEZNQCLSA-N 460.491 2.047 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc2c(c1)OCO2 1818459406 LWSLMWROGJAYCY-CQSZACIVSA-N 487.563 2.305 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@H]1Cc2ccccc2O1 1818906440 HDUWNAANLRGVKK-DOTOQJQBSA-N 485.591 2.266 10 20 JECD COc1ccc([C@@H](O)C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)cc1 1827424872 QCXGREDGTRTJCI-NZQKXSOJSA-N 469.538 2.468 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)c2cnc(O)nc2O)CC1 1827590242 IJFPLVXJKBCGAJ-MRXNPFEDSA-N 476.917 2.500 10 20 JECD COC[C@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739460 JDCGWHYPHGPXEJ-RBUKOAKNSA-N 481.977 2.136 10 20 JECD Cc1cccc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)n1 1839432721 YHWADKUHDDMRLO-ZFTMLNQLSA-N 487.940 2.238 10 20 JECD Cc1ccn(CC(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)n1 1842080577 GQZMZYGQIIBMCS-OAQYLSRUSA-N 496.612 2.113 10 20 JECD CC(=O)Nc1ccccc1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843443016 LDTDKQQSNNGIPA-UHFFFAOYSA-N 459.506 2.255 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845502638 WCRYKVMPNPAEOG-AWEZNQCLSA-N 457.914 2.387 10 20 JECD O=Cc1ccccc1-c1cncc(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)c1 1845817862 ZTEFLZNTQRBKGB-UHFFFAOYSA-N 458.474 2.498 10 20 JECD COc1cc(/C=C/C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)cc(OC)c1OC 1845949534 TXLNUKHJUDPAQB-AATRIKPKSA-N 469.494 2.049 10 20 JECD CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)cc1 1846927444 RMHMIJOJTPCDSZ-UHFFFAOYSA-N 488.635 2.349 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)CC2)cc1 742917182 SHIPIUUJJWDZNX-UHFFFAOYSA-N 481.018 2.151 10 20 JECD CN1CCCc2cc(CNC(=O)c3ccc4c(c3)S(=O)(=O)N(C[C@@H]3CCCO3)C4=O)ccc21 746814256 JMACQBBBGURWER-IBGZPJMESA-N 469.563 2.323 10 20 JECD C[C@@H](OC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C(=O)N1CCNC1=O 913359650 AFSQDKDYYWHBJC-COVOJHCQSA-N 453.567 2.213 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCc3cccc(S(N)(=O)=O)c3)cc2F)C[C@@H](C)O1 918212219 XTAKPLCRDIOTNH-GASCZTMLSA-N 450.536 2.086 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc2F)C[C@@H](C)O1 918879504 MKXDAVDRFSSBHI-ZHALLVOQSA-N 487.528 2.240 10 20 JECD Cc1ccc2c(c1)C(=O)N(CC(=O)OCC(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)C2=O 918989690 ZHDRSQBHMKJAQC-CALCHBBNSA-N 497.523 2.203 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CCn3c(=O)oc4cc(Cl)ccc43)nc12 919017782 FDGZKHHILFCJHL-UHFFFAOYSA-N 460.830 2.306 10 20 JECD O=C(COC(=O)c1cccc(N2CCOC2=O)c1)NCc1ccc(N2CCOCC2)c(F)c1 919198156 JXVBOKLYLBMDHM-UHFFFAOYSA-N 457.458 2.092 10 20 JECD O=C(CCn1cnc2ccccc2c1=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919697872 MCMGRZDDOCAMQV-UHFFFAOYSA-N 487.539 2.359 10 20 JECD Cc1cccc(C)c1OC[C@@H](O)CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 920238731 WYBMQAGCDGUJNO-IRLDBZIGSA-N 454.571 2.244 10 20 JECD CN1CCC[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)C1 1780575009 CPBGGPLWCLCKAI-NFHUAXAMSA-N 465.978 2.221 10 20 JECD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)ccc1O 1780750815 NYVRFDCTSCJCFR-JOCHJYFZSA-N 462.886 2.223 10 20 JECD C[C@@H]1CCc2c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)c(O)c(Cl)c5)[C@H]4C3)n[nH]c21 1790244968 IDLSRCMGFSHZMV-XHUUTOEUSA-N 474.945 2.431 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)/C=C/c3ccc(O)c(O)c3O)c21 1804289143 XPPFRLGOFYBCNV-NCSLWMNCSA-N 478.505 2.361 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](CNC(=O)Cn3cnnn3)[C@H]2c2cccnc2)cc1 1807613195 KEEIJOLBNOIALU-WIOPSUGQSA-N 484.564 2.495 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807990880 CFYYCGIUDNHPKM-NBQZKYEYSA-N 485.541 2.121 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992619 PHSFDHBEQANIHQ-HXOBKFHXSA-N 477.477 2.358 10 20 JECD Cc1nc(F)ccc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807996085 XRSALJFPROKUQZ-BTYIYWSLSA-N 451.458 2.364 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807997868 GCMOZFSTBXRBMF-GIMINZRKSA-N 463.494 2.070 10 20 JECD Cc1ncncc1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1810975869 ROGVJUNHUAPFCF-NTPDFONASA-N 475.505 2.330 10 20 JECD Cc1c(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cnn1C 1814162976 SVTLRLKURRUOHL-VSEMJTJDSA-N 477.521 2.273 10 20 JECD Nc1ccccc1/C=C/C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1815100842 OPYCKSMGAYVWTL-GPAKFWEMSA-N 451.508 2.471 10 20 JECD Cn1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)n1 1817561045 VNWXANYDFFMXTL-FQEVSTJZSA-N 474.525 2.171 10 20 JECD Cc1nn[nH]c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1827312364 HGIKSZYZQMENKC-JKNJVXJCSA-N 455.515 2.177 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3cccnc3n1)CC2 1828244510 JNMRAIIELYZCAB-LBPRGKRZSA-N 498.615 2.172 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)[C@@H]1C[C@H]1C1CC1 1833253568 LQMSLBPKVRJLGE-UNDPWIFGSA-N 469.582 2.434 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)CC1 1838029917 QJQRALXGSKVZGV-UHFFFAOYSA-N 492.536 2.204 10 20 JECD COC(=O)[C@H]1CCC[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)C1 1838031757 KELFDUKULNLQJG-IRXDYDNUSA-N 489.569 2.084 10 20 JECD Cc1cccc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881324 PCUPCPCXENTKTM-TTZARTBGSA-N 482.533 2.204 10 20 JECD CC[C@H](C)[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1847831179 CMYOQIJCQHMWCJ-WWOGRVQXSA-N 488.629 2.313 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 105177107 LFHZODSEVCHAPI-UHFFFAOYSA-N 461.584 2.444 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)cc2F)C[C@@H](C)O1 726382210 XEBLOZDDCYCYGP-IYBDPMFKSA-N 477.558 2.064 10 20 JECD CC(=O)N[C@@H](CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1c(F)cccc1F 727576940 UOYZDBDKAVVAKS-FQEVSTJZSA-N 493.482 2.367 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(Cl)c(C(=O)NC4CC4)c3)CC2)cc1 743432756 QHVKQDBPYLRSRS-UHFFFAOYSA-N 499.999 2.118 10 20 JECD CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 913361309 QADBSGXIFNZLTD-INQVIGDZSA-N 495.648 2.352 10 20 JECD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456533 HRHFMFQNEPFXIP-UHFFFAOYSA-N 494.426 2.492 10 20 JECD Cn1ccnc1[C@](O)(CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F 918205243 KDZUOYAXHROCHO-HXUWFJFHSA-N 473.471 2.160 10 20 JECD CCN(Cc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)=O 918284029 VEFYQZPVWMKFGG-UHFFFAOYSA-N 456.518 2.286 10 20 JECD NC(=O)N[C@H](CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccs1 919761560 JONWPJOUCFSIEL-GOSISDBHSA-N 483.573 2.420 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(c4cc(C)nc(C(C)C)n4)CC3)CC2)cc1 920253211 USFCIBAHLPQQEB-KTKRTIGZSA-N 492.624 2.471 10 20 JECD CCN1C(=O)C(=CNc2cc(S(=O)(=O)N(CC)CC)ccc2N(C)C)C(=O)N(CC)C1=S 920979717 VYOMQGVMDJDCSZ-UHFFFAOYSA-N 481.644 2.074 10 20 JECD O=C(NC1CC1)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 1318212336 DLJGVAMVUZJEJW-LJQANCHMSA-N 481.576 2.143 10 20 JECD Cc1nnsc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781122794 PAJLMHRLTUULPI-FOIQADDNSA-N 466.947 2.352 10 20 JECD O=C(C[C@H]1CNc2ccccc2O1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007293 OWWBDYCJRPOFBP-FYSMJZIKSA-N 487.940 2.458 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCSCC1)C2 1783223156 XTBNKUOZBGPIBK-OFAFLBDBSA-N 476.595 2.474 10 20 JECD COc1cc(F)ccc1C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1784914216 AAZFSJQAKGFWKC-RUZDIDTESA-N 480.496 2.071 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(=O)NCC(C)C)[C@H]3C2)cc1 1787528367 MTYRJGBBZMLNHV-XWGVYQGASA-N 480.609 2.460 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cccn2nccc12 1790399787 FHAWXBWBZJEUIB-RISOHXOYSA-N 470.913 2.306 10 20 JECD CC(C)c1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)cc1 1791006515 UKYOANNKADGOCF-JBACZVJFSA-N 453.539 2.452 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1c(Cl)cncc1Cl 1792411146 LDIZMZYKXOBPEQ-XIRRHLMSSA-N 494.331 2.422 10 20 JECD Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1F 1792655206 WDWLZEWCSQUAJX-NXYNRBCBSA-N 456.470 2.168 10 20 JECD CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796601292 QNJBNESSXDWRLN-UUAJXVIYSA-N 478.521 2.092 10 20 JECD O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796934378 JTFYSDGOBRYBFM-QQFNCUIESA-N 499.571 2.464 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(Br)CC1 1800176594 QOFFGVOQYXAAKV-LJWNITHASA-N 451.317 2.382 10 20 JECD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800715347 LXODDXLRNDYEOV-JYYAWHABSA-N 496.992 2.245 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cnn(C)c2)cc1 1801420398 BRVJDPXOPPTQBI-BRTYFSMRSA-N 461.566 2.274 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CN(C(=O)OCc2ccccc2)C1)c1cc(O)nc(O)c1 1801580130 NALWXAGGFUOEEA-ACDBMABISA-N 480.521 2.013 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(F)cc1)C2 1802079739 VNXUHGDXGNVJQN-MYBSFJDWSA-N 470.497 2.178 10 20 JECD Cc1nc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)no1 1804493779 WPYMPJBLOSCMSN-JLTOFOAXSA-N 471.901 2.400 10 20 JECD CNc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1807089309 IECSFKXBHAEWCJ-UWJYYQICSA-N 483.619 2.303 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccn(C(F)F)c2=O)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995534 QWIPMPHIFPZLRR-KUHUBIRLSA-N 485.447 2.078 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807998767 FONBPJOWWAZSTB-SGXKBVARSA-N 455.559 2.185 10 20 JECD Cc1ncncc1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1810975870 ROGVJUNHUAPFCF-OPWPMMOYSA-N 475.505 2.330 10 20 JECD C[C@H](Nc1ccccn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1820210246 QYHDEAIBRWLIFU-AAEUAGOBSA-N 454.512 2.071 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)c3cc4cccnn4n3)sc2C1 1821170378 QUARVUZDYMKKFT-FLUIGGAXSA-N 492.517 2.242 10 20 JECD Cn1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)cn1 1822835398 QGBYZIWIOLINOP-FQEVSTJZSA-N 474.525 2.171 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccnnc1O)CC2)c1cc(O)c(O)c(Cl)c1 1823712843 YRTKNCLCMJYKKO-SECBINFHSA-N 461.887 2.243 10 20 JECD CC(C)CNC(=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716558 RDQPGOUDYJVQSY-QFIPXVFZSA-N 481.597 2.171 10 20 JECD Cc1cc(F)cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834987478 VREMMZIFKCKIGS-UHFFFAOYSA-N 456.518 2.439 10 20 JECD CO/C=C(\C)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1844180583 QOWODXDBSKALLV-IYICPGQYSA-N 489.569 2.287 10 20 JECD COC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1847314229 HDLWFLOQRSCHIV-BZSNNMDCSA-N 491.585 2.160 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)CC2)cc1 726056499 FXXGUNMGNWWCPC-UHFFFAOYSA-N 490.442 2.195 10 20 JECD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCc1ccc(N2CCOCC2)c(F)c1 731050643 BWLVWQLHIBASQM-UHFFFAOYSA-N 450.854 2.270 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCc3cccc(C(=O)NC4CC4)c3)CC2)cc1 743363293 QTFGHOPOAZPXOF-UHFFFAOYSA-N 451.571 2.209 10 20 JECD C[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 915030588 JTOKOTQPMJVFGL-ZDUSSCGKSA-N 496.497 2.489 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)C1 917833214 NFKWGEYMHKRVSA-SFTDATJTSA-N 484.622 2.105 10 20 JECD COc1ccccc1S(=O)(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919729067 BNFAQSBJZHRRFO-UHFFFAOYSA-N 457.531 2.429 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)c1ccccc1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126135 HVZILHFCXDLYOO-AJTFRIOCSA-N 488.544 2.176 10 20 JECD Cc1ccc(OC(C)(C)C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)nc1 1780968341 DTPNXXCOSNZFLK-MDRWGITRSA-N 497.548 2.208 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)Cc3c[nH]c4ccccc34)C2)C1 1781014170 UHNJOMWLXDWWGK-WHVGEVHXSA-N 477.517 2.371 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)cc1F 1783246082 QQYYYOHWYHPLAS-VGOFRKELSA-N 479.599 2.122 10 20 JECD CN(C)c1ccc(CCC(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1 1784245507 LBAHXZDPZVDFBI-VYTBZZOSSA-N 495.576 2.345 10 20 JECD CN(C)c1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785509846 APTDWGVMJGBLLB-VYTBZZOSSA-N 495.576 2.345 10 20 JECD Cc1nc2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)ccc2s1 1787292338 SLAKIAIDTNVIQE-ZVZYQTTQSA-N 468.535 2.318 10 20 JECD Cc1cccc(Cl)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1790114347 CQVJBHYDWQBNFZ-DZKIICNBSA-N 482.027 2.102 10 20 JECD COc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)c1 1790244785 BWCQDFSLRKNORX-ODYMNIRHSA-N 461.902 2.062 10 20 JECD O=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CCC3)cc2)CN1 1791277475 NOZPJXGMZXJMEI-MRXNPFEDSA-N 459.506 2.050 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cc1C(F)(F)F)C2)c1cc(O)nc(O)c1 1796136131 RZJSBMMBLLIUSV-VTEUUUEMSA-N 483.418 2.097 10 20 JECD Cc1nc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccc1F 1804938667 QGSHXWPSVZMRTI-QVKFZJNVSA-N 451.458 2.364 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)CC1 1806378054 RWXMFAKGFAGNNC-QAQDUYKDSA-N 459.543 2.317 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)C1 1807999599 VBRMRZYHSCKLQN-QCMGHPBJSA-N 482.537 2.187 10 20 JECD Cn1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c2cccnc21 1810074725 PBMSQGRHCPOHOG-OPAMFIHVSA-N 472.505 2.408 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811796037 BHYPXMJLDQHXBW-QKYXUNIQSA-N 474.945 2.381 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811796041 BHYPXMJLDQHXBW-ZTNFWEORSA-N 474.945 2.381 10 20 JECD CC(C)NCCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814163113 ZGJUCIVTLLFWJX-SCOJYPESSA-N 468.554 2.306 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc(F)cn1 1816590064 BWFJBEOJGSORMW-AWEZNQCLSA-N 462.532 2.110 10 20 JECD O=C(Cn1ccccc1=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1817518944 FFUOAHQQIGWJOJ-VMSUTVGLSA-N 479.493 2.094 10 20 JECD NC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)c1ccccc1 1817844797 MITLMPZUNJGIRY-AEFFLSMTSA-N 450.499 2.264 10 20 JECD CC(C)c1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)n[nH]1 1820283469 PRZHIUGPUNAYAO-OAHLLOKOSA-N 475.600 2.422 10 20 JECD COc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)nn1C 1820377913 OKJOLHBGAWIRFG-IBGZPJMESA-N 490.524 2.251 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCSC2)[nH]n1 1823500817 HJNRJMUJPSPQAP-JSGCOSHPSA-N 467.642 2.405 10 20 JECD CC(=O)C[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1825930958 WWVAHLXPOAERMK-DZGCQCFKSA-N 467.551 2.463 10 20 JECD Cc1cc(C)n(CCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)n1 1826576556 WDBAFCRMOJIHHX-AWEZNQCLSA-N 456.528 2.079 10 20 JECD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)C1 1827423932 KYRPDTMBIUGVTK-LMMKCTJWSA-N 459.543 2.315 10 20 JECD Cn1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)n1 1827715031 GYQBCIWRYMCXCP-JOCHJYFZSA-N 462.554 2.446 10 20 JECD Cc1ncccc1CCC(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240210 QPKVMECVXXNECF-CQSZACIVSA-N 489.648 2.252 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)on1 1837481792 FANHBULBMKZLGS-UHFFFAOYSA-N 479.537 2.388 10 20 JECD COc1ccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)c(Cl)c1OC 1841165415 DUBMRTULZQROAF-UHFFFAOYSA-N 483.999 2.035 10 20 JECD COc1ccc(-c2cc(C(=O)N3CCCC34CN(C(=O)CN3C(=O)CSC3=S)C4)no2)cc1 1843454503 TUNCTTCNGZKXMB-UHFFFAOYSA-N 486.575 2.028 10 20 JECD Cn1cc(C(=O)NCC2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)CC2)cn1 726707079 YETUSXBTGIXNGT-UHFFFAOYSA-N 456.616 2.325 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 728300933 FURLHDASPWVFLP-UHFFFAOYSA-N 487.500 2.359 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCC[C@H]3CN3C[C@H](C)O[C@H](C)C3)CC2)cc1 729606539 INWYVURYFRSFRU-XJUOHMSHSA-N 459.635 2.100 10 20 JECD COc1ccc(CCNC(=O)CSc2ccccc2C(=O)N2CCS(=O)CC2)cc1OC 731007838 JEUDVORNAXFWFN-UHFFFAOYSA-N 476.620 2.359 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnc(O)n3C[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 917184067 AVPGWWOFXLBEFU-UXLLHSPISA-N 479.578 2.324 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 917385627 GQVRCRIBLBIXFP-UHFFFAOYSA-N 461.609 2.191 10 20 JECD Cc1cc(=O)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)nn1-c1ccccc1[N+](=O)[O-] 917709694 VKGKQTJNHGKFRI-UHFFFAOYSA-N 467.457 2.355 10 20 JECD COc1cc(CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc(OC)c1OC 918002985 FOIPUOPZNZKHIU-SFHVURJKSA-N 456.543 2.414 10 20 JECD COc1cc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1OCC(=O)N(C)C 918215580 FUDWPGLURDDUJB-UHFFFAOYSA-N 488.560 2.262 10 20 JECD CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 918443876 JEQMUEITOHTVIZ-UHFFFAOYSA-N 474.583 2.230 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)nc12 918983888 LRMDSXQICXGMLZ-OAHLLOKOSA-N 452.467 2.325 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CCc3c(C)nc4c(c(OC)nn4C)c3C)nc12 919092169 RWZGGGUNEVZKDE-UHFFFAOYSA-N 482.497 2.195 10 20 JECD COCCN1C(=O)/C(=C/Nc2cccc3c2C(=O)c2cccc(Cl)c2C3=O)C(=O)NC1=S 920974419 LBIPJSYEYWQGSA-JLHYYAGUSA-N 469.906 2.301 10 20 JECD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCNC(=O)c1cnccn1 1123815880 RMNRPCSBPYHCPB-RVDMUPIBSA-N 461.594 2.066 10 20 JECD COc1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1F 1782005219 ZWDGPEMWLGAAHL-NRFANRHFSA-N 465.865 2.051 10 20 JECD Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)nc1 1785306329 PFDNDHCCDAFSOG-APTRMMRNSA-N 489.576 2.095 10 20 JECD O=C1CCCc2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)ccc21 1785506115 ZLVCPNLOLDNLKD-JWIQXXRHSA-N 492.528 2.479 10 20 JECD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc(C)c1O 1785509972 DODIGXNEEKNLDF-BFHGXFJZSA-N 468.506 2.283 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1cc(Cl)sc1Cl)CCO2 1785539840 DRUICWOAXFUDML-QGZVFWFLSA-N 494.447 2.359 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ncn(C)n4)[C@H]3C2)cc1 1785876610 LCLYIBKSPHSIOT-BVSLBCMMSA-N 462.554 2.130 10 20 JECD COc1nccnc1C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1787091824 XBKDUVYDNVJDDK-UHFFFAOYSA-N 471.564 2.093 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)nc2ccccc12 1787967637 KGSUJDRYNJYWCR-XERREHJYSA-N 462.506 2.257 10 20 JECD Cc1ccc(C)c(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1793812615 GSUUITVLMYGESN-ZJZZYZHZSA-N 490.560 2.065 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1scnc1C1CC1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480828 VVLUIHNOCUDZRQ-CWPLJXCYSA-N 479.562 2.017 10 20 JECD COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)n1 1796596489 FFSVJRLCKDPMNK-BRTYFSMRSA-N 491.592 2.454 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc2c(c1)COC2 1797014807 HXGMOWZKYXTMFV-XEMDLRDOSA-N 458.898 2.298 10 20 JECD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)s1 1799767560 YDYHNOYGSHKOQC-DPIQGUFMSA-N 452.916 2.338 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(F)cc1)C2)c1cc(O)c(O)c(Cl)c1 1799770803 IVMYQDXVCTZEHH-VTEUUUEMSA-N 464.877 2.173 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)C1(O)CCC1 1802470560 YKJKDXOZZMHBDR-SLCYKOLNSA-N 481.549 2.469 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccnc1S 1802507174 SCYJEQVIRLBGSS-AUUYWEPGSA-N 451.508 2.205 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc(O)n2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808467624 IWHDLDNSWWIYMI-HOYKHHGWSA-N 484.516 2.295 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc(-n2cccn2)nc1 1810994423 MALLNZYOVFWXOR-UZUQRXQVSA-N 485.504 2.102 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1cc[n+]([O-])cc1 1811197451 HRQKONZIXAVZST-JXFKEZNVSA-N 468.897 2.413 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811802732 AILKFZUJYSBSLT-YVEFUNNKSA-N 486.872 2.411 10 20 JECD COC(=O)C1(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)CC1 1811809166 HNUAEONMLSGQAX-KBXCAEBGSA-N 473.913 2.419 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cn2c(F)cccc2n1 1812180814 PVYPMWFNUZKJOI-QRQCRPRQSA-N 476.468 2.308 10 20 JECD COc1nccnc1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162404 JOZGIIOQXFZCHN-VJZFYYHCSA-N 491.504 2.030 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccncc2Cl)[C@@H]1c1cccnc1 1814188817 AWQNSKDZATYIKG-IFXJQAMLSA-N 490.010 2.310 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cccc(F)c2)[C@@H]1c1cccnc1 1814189152 BDGPLURNFNCSHB-OXQOHEQNSA-N 472.567 2.401 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2onc3ccccc23)[C@H]1c1cccnc1 1814189970 MLMCBHJCAVRNPG-YWZLYKJASA-N 495.586 2.403 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)CCCc2cccnc2)[C@@H]1c1cccnc1 1814192893 YBVLEOKCPSPTTQ-WMZHIEFXSA-N 497.646 2.366 10 20 JECD CC(C)OC(=O)c1ncccc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720985 DEPRIUHBYSHUST-CYBMUJFWSA-N 497.533 2.449 10 20 JECD CN1CCc2cc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)ccc21 1816725003 ILSAYEKHJVAXRG-HNNXBMFYSA-N 465.535 2.481 10 20 JECD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817846978 GFHXZHDTIYJEQJ-PNDHZVEESA-N 480.481 2.292 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccn3n2)[nH]n1 1823497998 KMYSQFGGIGEZFE-INIZCTEOSA-N 483.579 2.224 10 20 JECD COc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)n(C)n1 1823708281 PBVACJFSTGTRQH-JTQLQIEISA-N 477.930 2.489 10 20 JECD O=C(Cc1cccc(F)c1F)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1825498892 UFKWSDMCPCMNKP-NSHDSACASA-N 496.586 2.436 10 20 JECD Cc1noc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)n1 1827145233 GLINVSQLNJCDQR-OAQYLSRUSA-N 478.553 2.333 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCCOC3)sc2C1 1828192347 JZSCEQGGIGFEII-CSNMRHKHSA-N 459.524 2.312 10 20 JECD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c(C)o1 1828239681 BKRVNKILOZZNBA-NSHDSACASA-N 464.594 2.439 10 20 JECD C[C@@H](Cn1cncn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1829056871 GAUJKDPRQGJGCO-ILDRUCAQSA-N 483.569 2.364 10 20 JECD CCc1nc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)co1 1829388256 SUIVQFCCPJPQRD-INIZCTEOSA-N 464.613 2.331 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)CCn2cncn2)CC1 1832120209 WBYQCZIHCQEIIK-XZXOBPBMSA-N 469.542 2.118 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876269 GUTALCTYNIFHQD-OJYYBLKUSA-N 488.585 2.144 10 20 JECD O=C(c1cnc(Cl)nc1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899607 KHKUDUKWIIJNSH-HNNXBMFYSA-N 482.031 2.224 10 20 JECD O=C(CSc1ccccc1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1834516551 FZIYAGCLBRYXKO-UHFFFAOYSA-N 470.595 2.470 10 20 JECD Cc1c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)ccc2c1OCCO2 1834986926 KESODUIDXJPXEB-UHFFFAOYSA-N 496.564 2.071 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)cccc1F)CCO2 1838863725 QOJOSYABBODYKK-JOCHJYFZSA-N 482.867 2.413 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)c(Cl)c1)CCO2 1838921510 XTXZOQINLSUBGL-OAQYLSRUSA-N 482.320 2.183 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/C1CCCC1)CCO2 1839179285 ASRAUMVJCDBAJE-SZWJOXPDSA-N 472.538 2.019 10 20 JECD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)ccc1F 1840881321 PBYCTIBKOQQYNF-CIFMFNLYSA-N 486.496 2.034 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(F)CCCC=C1F)CCO2 1840952874 ZOJPXURBVROQFG-YIGOKMEQSA-N 494.491 2.019 10 20 JECD CN(C(=O)CN1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1)C1CCCCC1 728748116 ULLUIHGMZNXGDR-JOCHJYFZSA-N 498.672 2.007 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730528963 CLTISCWOQXRPBR-GOSISDBHSA-N 455.486 2.103 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1 752760933 YNFYPPQRVUSREI-UHFFFAOYSA-N 460.600 2.289 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 915731869 DXTHBCRKJVYRPT-UHFFFAOYSA-N 475.615 2.104 10 20 JECD COc1ccc(OC)c(CN2CCN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)c1 918117089 GMLOQWMADRWVLB-NRFANRHFSA-N 495.624 2.433 10 20 JECD COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c2ccccc2O1 918288475 VLZXFCNAESAYTE-WCJKSRRJSA-N 485.512 2.023 10 20 JECD CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)C1 918850355 LPLUNSCWTXFUMP-CQSZACIVSA-N 468.893 2.399 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cn(-c4ccccc4)nn3)cc2F)C[C@@H](C)O1 919085952 OIWWUUOGIZIHBF-CALCHBBNSA-N 467.501 2.493 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)CC2)cc1 919302637 YGGPXHCYRNAWCW-UHFFFAOYSA-N 460.552 2.383 10 20 JECD CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)c1 919664699 IXUFCKTXFAUVBT-UHFFFAOYSA-N 456.518 2.100 10 20 JECD CCCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919700880 FYMIKKXBAJKXQD-OAQYLSRUSA-N 454.550 2.350 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3nc(S(C)(=O)=O)n4ccccc34)cc2F)C[C@@H](C)O1 921165136 LLUZJYUFCRVHHY-GASCZTMLSA-N 460.531 2.421 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4c(F)cc(F)cc4[nH]3)C2)C1 1777797492 PJUNWNPDKSGACW-QFIPXVFZSA-N 458.421 2.010 10 20 JECD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)ccc1C 1780783356 QIRUDHHGRFDRCA-UVXPNCNTSA-N 468.506 2.277 10 20 JECD Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)nn1C 1781119368 IGWAWZKAIZWYKN-AUSIDOKSSA-N 476.961 2.163 10 20 JECD COc1ccc(Br)cc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1781459667 PVRYZYOFAWDEJW-OAQYLSRUSA-N 492.326 2.021 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1782462952 ZXAYDZSFSGYAQR-QFIPXVFZSA-N 474.876 2.295 10 20 JECD C[C@H]1CCc2c(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)/C=C/c4ccc(O)c(O)c4O)C3)n[nH]c21 1783222320 LWDFQEFRZLUACB-LUMZGFHGSA-N 496.564 2.417 10 20 JECD C/C(=C\c1ccc(C)o1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783247810 AQHNIVRNUYWHQT-YZISKAEVSA-N 491.635 2.366 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1cc3sccc3s1)CCO2 1785541315 SFVPBRIOPZBDKC-LJQANCHMSA-N 481.646 2.267 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCCCC3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539039 HGNZMVMDNQONJG-VCOUNFBDSA-N 452.555 2.339 10 20 JECD COc1cc(C)ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787541416 MYBKIOKFXPTRDC-XZOYJPPVSA-N 490.560 2.390 10 20 JECD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1)n1ccccc1=O 1789637491 NQEOMMVXZYMHPZ-HNNXBMFYSA-N 484.603 2.404 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CSC(=N)N)C[C@@H]32)cc1 1790126214 FCZXFHMQNXSRRO-JBACZVJFSA-N 469.611 2.314 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H]3CCOC3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245572 OQLCIOQNCJSUGB-PWDMQXDWSA-N 452.935 2.161 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1ncccn1 1796279624 KMDZUOZZJHVUMD-NCSLWMNCSA-N 456.524 2.037 10 20 JECD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1N(C)C 1799208569 IHPQKBPXUQTNEU-VPTLXERWSA-N 489.956 2.343 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)C2)c1cc(O)c(O)c(Cl)c1 1799767087 PXOCGPYLFFHQIM-VAKZPMALSA-N 485.924 2.148 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3nc[nH]c13)C2)c1cc(O)c(O)c(Cl)c1 1799768497 SOJXKNFJZOYYCV-IVWMJMPLSA-N 456.886 2.145 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCC(=O)N2C1)c1cc(O)c(O)c(Cl)c1 1799932608 FLUKVLFONQBUII-FYNNLBNCSA-N 461.946 2.404 10 20 JECD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c(F)c(OC)c1F 1800673206 IAOYMRWODIAXJN-ZSBIGDGJSA-N 499.561 2.094 10 20 JECD O=C1Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)/C=C/c3ccc(O)c(O)c3O)ccc2N1 1804286422 VMSRIIKDZRIPIZ-KJZRSFJVSA-N 463.490 2.263 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1nccc2occc12 1807795215 RNOLAGJNASIAMG-YCRPNKLZSA-N 495.586 2.403 10 20 JECD COc1ncc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1F 1807992519 ZPWVXSBGVQWPTG-JLTOFOAXSA-N 467.457 2.064 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(-n3ccnc3)ccn2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994629 KCUWOZFCLCSUJZ-UZUQRXQVSA-N 485.504 2.102 10 20 JECD C[C@H](NNc1ccccc1)C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810549460 RINXJWLRNVZGSG-KRWDZBQOSA-N 453.543 2.343 10 20 JECD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)C1 1810550630 PCZMJGIPSWVNCZ-IAGOWNOFSA-N 459.543 2.317 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1812028418 UFVUZVCGANWVOO-NYHFZMIOSA-N 493.476 2.443 10 20 JECD COc1cnc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cn1 1814162832 RRJGCPBOGWMXNK-NGOAQKHGSA-N 491.504 2.030 10 20 JECD Cn1ncc2c(C(=O)N[C@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)cccc21 1816724709 BPNKAVYICWXXND-LBPRGKRZSA-N 464.507 2.376 10 20 JECD Cc1c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)nc2ccccn12 1816725138 KZRDCNNYVRIQLC-CYBMUJFWSA-N 464.507 2.445 10 20 JECD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1)N1CCN(C)CC1 1821295052 YRKYQVINFCCPRK-RDTXWAMCSA-N 490.992 2.416 10 20 JECD Cc1nnc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)s1 1823497353 UWESFCOCRXQBSA-ZDUSSCGKSA-N 493.640 2.055 10 20 JECD N[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)c1cccnc1 1827426373 RQGMMFNLGIUROX-WOJBJXKFSA-N 453.543 2.211 10 20 JECD O=C1Nc2c(cccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1=O 1828714104 FZGAPLIGRAGUDD-GOSISDBHSA-N 478.505 2.175 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)c2ncon2)CC1 1829503182 JTBCOPXYBSKVAB-LJQANCHMSA-N 450.499 2.096 10 20 JECD N[C@@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1ccccn1 1834724163 BHJAPEUPBCDSII-OAQYLSRUSA-N 487.988 2.031 10 20 JECD C[C@H](Nc1nccs1)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031391 BQFJRMDJGPPDNG-AWEZNQCLSA-N 475.571 2.062 10 20 JECD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1839348171 FKGYYIGHEMELAX-BJOYHEJJSA-N 494.592 2.204 10 20 JECD O=C(CNc1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434073 LLMMIDGSTQQCMH-QHCPKHFHSA-N 493.919 2.072 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)CCc2cnccc2C(F)(F)F)C1 1841977589 FGXLFGSXINIDTC-UHFFFAOYSA-N 486.541 2.097 10 20 JECD CC(C)(C)OC(=O)N1CC2(CC(CC(=O)N3CC4(CCCN4C(=O)c4cc(O)nc(O)c4)C3)C2)C1 1843251068 STSJAFFDUFDFFQ-UHFFFAOYSA-N 486.569 2.347 10 20 JECD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1843440841 DRZWRLGUGSSEJS-RBUKOAKNSA-N 480.565 2.352 10 20 JECD COc1ccc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cc1OC 1843442737 XGUGYVBMGCSITL-UHFFFAOYSA-N 462.506 2.314 10 20 JECD C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(N2CCOCC2)cc1 725828650 KHXUIOQCSFHJIW-INIZCTEOSA-N 465.597 2.003 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@H](C)NC(=O)c3n[nH]c4ccccc34)CC2)cc1 726374889 OXFWFPAUYYITMX-SFHVURJKSA-N 464.570 2.018 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc4c(c3)nnn4C)cc2F)C[C@@H](C)O1 729732873 UZDMJUYMGWNOQE-GASCZTMLSA-N 455.490 2.194 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(OC)ccc3Br)CC2)cc1 750361987 OSEJROSVJVFUEY-UHFFFAOYSA-N 491.386 2.343 10 20 JECD CN1CCN(CCNC(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)CC1 914445489 RPTWBCRDPMZKCR-FOWTUZBSSA-N 483.457 2.014 10 20 JECD CN1CCN(Cc2ccc(CNC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2)CC1 918117289 JMGYBVKCCNBVIL-XMMPIXPASA-N 478.641 2.135 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)COc3cccc(Br)c3)nc12 918849005 CRCOUKJHXUUICN-UHFFFAOYSA-N 450.245 2.496 10 20 JECD C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1ccc(N2CCOCC2)cc1 920889957 GJRRZAAEBDTJKG-OAHLLOKOSA-N 453.511 2.347 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127242 HNTAXXNOQFJLEJ-HRRBBWQUSA-N 497.640 2.271 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4c(Cl)cccc34)C2)C1 1782453752 DTPORFHNIPHRQN-QFIPXVFZSA-N 456.886 2.385 10 20 JECD CCN(CC)C[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783221604 HBGJLKHDBAUPAA-ADIVMAKYSA-N 489.613 2.308 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1sccc1F 1784743820 DVSHGMXEZAYBHY-QOKNQOGYSA-N 470.526 2.273 10 20 JECD O=C1Cc2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)c(O)c(Cl)c5)[C@H]4C3)ccc2N1 1790245235 ZIZKTYMGGUNHNS-RISOHXOYSA-N 485.924 2.153 10 20 JECD COCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1795779144 GBTLIYNWNPIVFV-FCGDIQPGSA-N 491.585 2.208 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc2cnccc2c1 1796979418 AJYYSHVKZSWZTQ-PAXCABHKSA-N 475.501 2.268 10 20 JECD COc1cccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)n1 1804283990 VBMGPBRUSVODNC-GFPDGJBOSA-N 453.495 2.101 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1804291690 UJAGPEUJGJJIMH-WPSISMMJSA-N 472.538 2.434 10 20 JECD CS(=O)(=O)c1cccc(C(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)c1 1805131019 LAXPNKLYPORJEG-UHFFFAOYSA-N 473.551 2.055 10 20 JECD COc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)cc1O 1805180034 ONTMVWQYUASGQD-UHFFFAOYSA-N 455.511 2.295 10 20 JECD CN(C)C(=O)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1808001023 KWMOXCBVLWXSPE-AUSIDOKSSA-N 489.532 2.223 10 20 JECD Cc1ccoc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1808504225 IWFUXYDTXKYDNZ-CRAIPNDOSA-N 458.565 2.163 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCN(C(=O)Cn3cnnn3)[C@H]2c2cccnc2)cc1 1811264398 MPZMSJGJAIIDHM-RDGATRHJSA-N 484.564 2.495 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)CC1 1814294265 VYSKPGJNEHSZPC-JXFKEZNVSA-N 497.552 2.265 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)c1cc2n(n1)CCNC2=O 1816625836 IZKLBOWXPZSXRH-OAHLLOKOSA-N 499.915 2.034 10 20 JECD CCN(C)[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361670 BOJFCOBNWHZDGC-GJZGRUSLSA-N 468.583 2.188 10 20 JECD CC(C)n1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)n1 1821683638 JFBAOMNMNFPACY-NSHDSACASA-N 478.625 2.007 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@@H]1[C@H]2C=CS[C@H]21 1821709636 HTNMCUHLBVEBDX-OAEJOCTFSA-N 463.610 2.137 10 20 JECD COc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC3)nn1C 1821772516 OSNPDUQHSXZFIE-JTQLQIEISA-N 477.930 2.489 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)C3CCN(c4ccccn4)CC3)sc2C1)c1cc(O)nc(O)c1 1822506623 JYICPXNBDMAVIA-INIZCTEOSA-N 494.577 2.487 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2)C1=COCC1 1827237095 OCULNBIECWVOPM-AWEZNQCLSA-N 451.508 2.152 10 20 JECD CC(=O)O[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)C(C)C 1828772744 DVFBIHAAOYDCAA-PXNSSMCTSA-N 483.656 2.054 10 20 JECD C[C@@](O)(CC(=O)O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1831869215 BQBJJGRCMGKOSH-SWQPOGFJSA-N 490.553 2.052 10 20 JECD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)C1 1832896800 QFEZKOAWYGNVOY-KZNAEPCWSA-N 495.667 2.056 10 20 JECD C[Si](C)(C)c1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)co1 1834986980 AAHMDIOFUWABFJ-UHFFFAOYSA-N 486.645 2.130 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(F)c[nH]3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835133981 RDRASELQMCSRKU-UHFFFAOYSA-N 480.544 2.132 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnc3[nH]1)CCO2 1837009473 WRBRARGDMVPHFE-HSZRJFAPSA-N 486.912 2.011 10 20 JECD Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)CCO3)c1 1839348335 OTQQYTOKNIUCKH-HHHXNRCGSA-N 491.592 2.369 10 20 JECD O=C(c1ccncc1-c1ccccc1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056210 VWUCNPXIIYTJKK-UHFFFAOYSA-N 466.588 2.426 10 20 JECD COc1ccc(N2CCCN(C(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)CC2)cc1 109213281 XGFDYZIAFKIEIZ-UHFFFAOYSA-N 464.613 2.113 10 20 JECD COc1ccc(N2CCC(NC(=O)N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)CC2)cc1 726715660 VNYXVTNXSZCKTI-UHFFFAOYSA-N 483.594 2.140 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCC[C@@H]3CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 729606538 INWYVURYFRSFRU-QNWVGRARSA-N 459.635 2.100 10 20 JECD Cc1cc(-n2c(C)cc(C(=O)COC(=O)Cn3ccc(=O)n(C)c3=O)c2C)ccc1Br 915393613 DGQQJDQYYISMQM-UHFFFAOYSA-N 488.338 2.452 10 20 JECD CN(Cc1ccccc1O)C(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 917309913 KPOGZYVNOZCCCG-UHFFFAOYSA-N 453.480 2.447 10 20 JECD COc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1[C@@]1(C)NC(=O)NC1=O 917862953 MVLXFMDNWKVMBF-LJQANCHMSA-N 459.509 2.069 10 20 JECD CS(=O)(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 917911262 BSUZQPSDCXNVHP-UHFFFAOYSA-N 478.514 2.424 10 20 JECD CN1CCN(C(=O)c2ccccc2NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 918031183 VZJAMSGCIINVMT-FQEVSTJZSA-N 478.597 2.098 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccccc1S(=O)(=O)C(F)F 918438453 PNFIQIHYWVVWGF-UHFFFAOYSA-N 485.484 2.038 10 20 JECD CN(CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)c1cccs1 919699313 JIPDUFCKMLRMMX-UHFFFAOYSA-N 468.558 2.392 10 20 JECD C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(N2CCOCC2)cc1 920865489 FTFYOPIHEKONOJ-MRXNPFEDSA-N 465.597 2.003 10 20 JECD COc1cc(F)cc(/C=C/C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1 1777851222 WEOSAUYUDUFMRU-MLBMQPMDSA-N 485.512 2.481 10 20 JECD Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1F 1780625319 KRFFAZNVVQGGDK-COIATFDQSA-N 456.470 2.408 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)c1ccccc1)C2 1783219782 CIKDSQSCMWUWGW-PIYLVMFFSA-N 482.533 2.064 10 20 JECD Cc1ccc([C@@H](C)C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)cc1 1783245858 IKLJMUFNWKPNCU-ROMRWMGNSA-N 489.663 2.473 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(c4ccc(O)cc4)CC3)[C@H]2C1 1784142296 QUEFXJQNFFCHNY-MJICWIMASA-N 494.544 2.234 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCC3)CCO2 1785503778 PUZGMJUJBUAUGP-XQOHEHAGSA-N 478.545 2.378 10 20 JECD CCOc1ccccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785506610 ADLKEFZYDGWWBQ-NRGMSUJUSA-N 468.506 2.359 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccc([N+](=O)[O-])o1 1796932158 SINTXSVBQZPUAZ-RBVVOMGSSA-N 451.439 2.233 10 20 JECD Cc1cc2nnc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(O)c(O)c(Cl)c3)c(C)n2n1 1800714819 IDDKIUULCCVQMO-QDMKHBRRSA-N 470.917 2.371 10 20 JECD CC(C)(C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1803070492 IDNOSZHQUQSTPX-YFXJRYMSSA-N 477.565 2.287 10 20 JECD O=C(Cc1ccc(Cl)s1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804330697 BYNFMINKAHOOLP-ZSBIGDGJSA-N 458.030 2.443 10 20 JECD O=Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)s1 1807993366 JCDSJOCHGRGKCM-JLTOFOAXSA-N 452.492 2.395 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994317 GPYGJYXILRTKTO-UZUQRXQVSA-N 485.504 2.306 10 20 JECD COc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccc1O 1807995018 MIDZTXPKADUXMD-AOMKIAJQSA-N 464.478 2.235 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccc2ccnn12 1812085838 MMJUKRFUXHOHOY-AOMKIAJQSA-N 458.478 2.169 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cc(=O)cco2)[C@H]1c1cccnc1 1814162638 OQZXHHJOHKNECY-GEROHTISSA-N 477.473 2.185 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cnn3c2CCC3)[C@H]1c1cccnc1 1814166858 UPKUGSMDUKQTOV-VREWFTFGSA-N 489.532 2.374 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cn2)[C@@H]1c1cccnc1 1814189738 XHMBIRJISZBTHF-IFXJQAMLSA-N 490.010 2.310 10 20 JECD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n(C)n1 1817364806 ZMEDCHBKDNFARY-CQSZACIVSA-N 477.550 2.204 10 20 JECD Cn1ccnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146235 AKECASKMGMRHIY-SFHVURJKSA-N 460.498 2.242 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1)c1cc(O)c(O)c(Cl)c1 1820304117 LSATTXLVLTZNNM-MRVPVSSYSA-N 478.874 2.379 10 20 JECD Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)cc1O 1823208456 JCYQDOZITWVIGC-LBPRGKRZSA-N 476.605 2.243 10 20 JECD Cc1nnc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)o1 1823475265 MLOIEDBAVCAKOZ-VFADXPBXSA-N 468.470 2.166 10 20 JECD Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)on1 1825968908 KYYXMASVSHQLST-OAHLLOKOSA-N 450.586 2.077 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCCO1)CC2 1828192330 JPSMMTLZIWEFJE-RLUQJLPCSA-N 459.524 2.454 10 20 JECD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)c1ccccn1 1828249585 KJRAMTRNUKNLJH-NEPJUHHUSA-N 475.621 2.114 10 20 JECD O=C(C[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1833683115 JPKNCNRELUFIER-GZNAHNRGSA-N 487.597 2.347 10 20 JECD COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)CC1 1839898178 LCCFWIHWGLKYBZ-SANMLTNESA-N 495.576 2.117 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4cc[nH]c34)C2)C1 1840880900 RWCDATAKUQUAJT-MXDXTTGUSA-N 493.516 2.068 10 20 JECD CC[C@H](C)[C@H](N)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1842891816 MMWDKNUHRFBQRQ-WMQCIHAUSA-N 487.645 2.281 10 20 JECD CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251115 XWVXKQCPENTJQS-MRXNPFEDSA-N 462.547 2.249 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cc(-c3cccnc3)[nH]n2)C1 1844492026 HEPDYSQRGMNMDM-FNORWQNLSA-N 461.478 2.119 10 20 JECD C[C@H]1CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CN1C(=O)OC(C)(C)C 1847148653 NFEGWSHMJIWWFK-JKSUJKDBSA-N 474.558 2.345 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1847682584 ALDZXRDCXHZWSZ-YVSFHVDLSA-N 460.531 2.002 10 20 JECD O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccc(O)c(O)c1 916620761 BAQNZCRVSCGIKT-UHFFFAOYSA-N 491.518 2.086 10 20 JECD CN(CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(=O)c1ccc(Br)o1 917837535 XVRBGIRSUBJHHJ-HNNXBMFYSA-N 477.359 2.132 10 20 JECD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 918138430 MPWZBTOZXUCVHG-UHFFFAOYSA-N 485.965 2.170 10 20 JECD CCC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 919471233 IRSOCDGKRFRQLS-HXUWFJFHSA-N 475.567 2.259 10 20 JECD CCCS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 919559005 DEGXKQITEDUWSZ-UHFFFAOYSA-N 475.567 2.353 10 20 JECD NC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)C1 920428588 SJTUDQFLQGDONN-ZBQKXELDSA-N 468.398 2.374 10 20 JECD C[C@H](NC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)c1ccc(N2CCOCC2)cc1 920869679 VHKOFBPHRPXJDN-SFTDATJTSA-N 457.619 2.312 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NO[C@H](c3ccccc3)C1)C2)c1cc(O)nc(O)c1 1777847834 BOLVLJBEURWSGU-WZOHSFFVSA-N 480.521 2.138 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3cc[nH]c3c1)C2)c1cc(O)nc(O)c1 1777847921 DELGVLIYAXHIPU-NTKDMRAZSA-N 450.495 2.415 10 20 JECD CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C2)C1 1779001772 IWRWGEUNFVGXFS-IQGLISFBSA-N 491.585 2.164 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)cc1 1781752404 NCPOSXAUUDOBGK-HFZDXXHNSA-N 464.566 2.064 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1782002689 MBHIXFMCNYJZMY-LJQANCHMSA-N 451.819 2.010 10 20 JECD Cc1cc[nH]c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783219998 MMCIEIXJDBNRBJ-VKOGXBCZSA-N 455.511 2.281 10 20 JECD Cc1cc(/C=C/C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)no1 1783222469 WRUUPVVPCMSLTO-ABIRGEDKSA-N 483.521 2.340 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 1783410399 OMNGQERXFWRSKW-YDCIUWRLSA-N 478.545 2.452 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787539664 OJEDUOLVDBATAI-OQZHBAMCSA-N 489.576 2.260 10 20 JECD O=C1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CCC3)cc2)N1 1787863052 KDQMXGCYDGELGN-LJQANCHMSA-N 459.506 2.192 10 20 JECD Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1F 1792654000 HJRIBQDZHNFNPO-GPVSGQMNSA-N 464.497 2.130 10 20 JECD O=C(Cc1ccccc1Cl)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1795229710 REYGSTFUPSDOBH-QUKZKKHZSA-N 472.925 2.302 10 20 JECD Cc1nnc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)s1 1804558948 JIPFCHMNABBBIL-BTYIYWSLSA-N 468.539 2.000 10 20 JECD Nc1nc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cs1 1807233743 ZAJZHOAUSLWJHJ-KKSFZXQISA-N 489.561 2.233 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ncc1[N+](=O)[O-] 1808662577 LVRATDXBWINIIK-BTYIYWSLSA-N 478.465 2.133 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1ccnnc1O 1811227541 HPDFIRZCZVKYJJ-UGSOOPFHSA-N 469.885 2.275 10 20 JECD O=C(COc1ccccc1F)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812782165 KXEBVMOEXIJKDB-QMHKHESXSA-N 466.469 2.426 10 20 JECD O=C(/C=C/c1cccnc1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815963557 YDWLJNPBRXZQHQ-FYCOFBDGSA-N 470.580 2.371 10 20 JECD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)n1cccn1 1817366733 CIQLVPYRAXBISI-GJZGRUSLSA-N 477.550 2.306 10 20 JECD Cc1nc2ncccn2c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817845505 NPKLSAVJNDBFPI-OAHLLOKOSA-N 462.470 2.187 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccn(C(F)F)c2=O)[nH]n1)c1cc(O)nc(O)c1 1817846175 JVEKKKSHWIPGLT-AWEZNQCLSA-N 474.424 2.392 10 20 JECD Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cn1C 1818303393 CRLGATLYGMVVCS-OAHLLOKOSA-N 460.585 2.223 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cnc(Cl)s3)sc2C1 1820790448 IDTXPBJXTUJZJQ-ZETCQYMHSA-N 488.041 2.339 10 20 JECD O=C(Cc1ccc(F)cc1F)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1825487752 KHSAMZCDYPXBSJ-LBPRGKRZSA-N 496.586 2.436 10 20 JECD Cc1ncc(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)s1 1835132897 YNKGXPWVHUDPLH-UHFFFAOYSA-N 494.621 2.430 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1839433284 CXOPKKMKGGMFGR-QHCPKHFHSA-N 486.912 2.011 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1839659987 DBYHOMPGUKUUOG-UPCLLVRISA-N 489.956 2.095 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)[C@H]2CC2(F)F)C1 1843852741 KWBOXSIMHRCFBB-CVEARBPZSA-N 495.523 2.392 10 20 JECD Cn1cc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(C(F)(F)F)n1 1844465628 DZLGAXIRGHANAV-GQCTYLIASA-N 466.416 2.086 10 20 JECD O=C(/C=C/c1ccc(F)cc1F)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056950 VJVTYVSWLQAGTK-HWKANZROSA-N 451.520 2.042 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 749125620 XFOQGFSWEHJVBU-SFHVURJKSA-N 453.561 2.193 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3cc(-n4cnnn4)ccc3C)CC2)cc1 915686253 QJCUNHXZWAUUFX-UHFFFAOYSA-N 450.547 2.313 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cccc(N4CCCC4=O)c3)CC2)cc1 915744006 POKNGHQLWADAAO-UHFFFAOYSA-N 479.581 2.089 10 20 JECD CCOc1ccccc1C(=O)N1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 917062577 CMBAUGFLVFIIAU-UHFFFAOYSA-N 484.572 2.135 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)cc2)C1 918036053 KKYRAELQSZDNCL-OAQYLSRUSA-N 479.581 2.111 10 20 JECD CN(C)C(=O)c1ccccc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918276276 CWKRJBXNWPIKTG-UHFFFAOYSA-N 478.471 2.499 10 20 JECD CCNC(=O)COc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 918294841 KQPAECFCLSRFJJ-FQEVSTJZSA-N 455.511 2.053 10 20 JECD NC(=O)N[C@@H](CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccc1 919761497 FUHATAICSICWKJ-NRFANRHFSA-N 477.544 2.358 10 20 JECD O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 920013920 JXDXHEMRIVLNBI-UHFFFAOYSA-N 467.551 2.399 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccc(N2CCOCC2)cc1 920924485 CINWHJUQRZSFOV-VGOFRKELSA-N 466.538 2.457 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(F)c[nH]1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127459 LTAPFULDQYOKHM-HYBUGGRVSA-N 467.501 2.074 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 1781766638 ORMAXXJYHADOIW-ZGVNINRLSA-N 487.440 2.008 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc[nH]c3nccc1-3)C2 1783221981 DCENWUPTYUIEGW-ZYAZBWOASA-N 492.532 2.472 10 20 JECD O=C(C[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1784963427 LGGIYIFLYHPHKS-YBKUAAOGSA-N 452.935 2.304 10 20 JECD COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)cc1O 1790243135 SNILNDUHXWYARK-HTZUNMPGSA-N 490.940 2.301 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)(Cl)Cl)C[C@@H]21 1792218332 YYBCBNBCXOLACI-VWSXDQIGSA-N 479.744 2.167 10 20 JECD CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cn1 1792218806 SEACMCSDPMDLAK-MFEKCTPRSA-N 467.522 2.068 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCc3cccnc3)C[C@@H]21 1792221313 NQVCGMFTHOBIBU-ZNTKURTCSA-N 481.549 2.214 10 20 JECD Cc1cc(C)c(OCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c(C)c1 1793450224 HOQJCLKEAPAKPR-BCDXTJNWSA-N 475.636 2.489 10 20 JECD Cc1cc(Br)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)cc1F 1796140569 PIGDYDQRCWKFGM-DBWKPXFBSA-N 494.317 2.220 10 20 JECD Cn1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)n1 1796749362 DZAVFNRYCLLHDJ-XAPVIXHLSA-N 496.612 2.390 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2)c1cc(O)c(O)c(Cl)c1 1799767993 JCRODWGIWDEVQY-VTEUUUEMSA-N 493.875 2.244 10 20 JECD O=C(CCc1noc(-c2ccccc2)n1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804336067 ULXYCNGZWYSWNA-BJWYYQGGSA-N 499.618 2.168 10 20 JECD COc1cccc(CC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1806558289 QCBUVDCBFMJZKJ-JPYJTQIMSA-N 498.630 2.199 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3cccnn3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808000631 NWGSHYLIBONZIB-KSFYIVLOSA-N 458.478 2.169 10 20 JECD C[C@@H]1CCc2c(C(=O)NC[C@H]3CCN(C(=O)CN4C(=O)CSC4=S)[C@@H]3c3cccnc3)n[nH]c21 1809258591 XFUFCKOHMDTQJI-MFLXSWDHSA-N 498.634 2.034 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc2nc[nH]c2c1 1809826963 RJDALOQVGPZIFB-IERDGZPVSA-N 494.602 2.138 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cc2cnccc2[nH]1 1809993521 OOLROLPVTJDLCT-QVKFZJNVSA-N 494.602 2.138 10 20 JECD COCCOCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811804337 VOHBCIWNFKCIDS-YWZLYKJASA-N 463.918 2.129 10 20 JECD C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1812762568 RMQMLGYIKSNORN-ZJBJCVSYSA-N 498.630 2.415 10 20 JECD C[C@H](Cn1ccnc1)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813415237 JKCRKVYPKZKRDC-UCJKHOCISA-N 491.548 2.450 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cnsn2)[C@@H]1c1cccnc1 1814161618 ATDHWTOFNPURNQ-CVCWVKEYSA-N 467.507 2.083 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)/C=C/c2ccco2)[C@H]1c1cccnc1 1814186239 YRGUYNYVFDUOTG-IKSNEBHTSA-N 470.576 2.254 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CNC(=O)CNC(N)=O)[C@@H]2c2cccnc2)cc1 1814228369 QSDSJYZVJWWFOF-QPPBQGQZSA-N 474.565 2.477 10 20 JECD CCn1nccc1C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362389 MTWONIWDDAJSCT-AWEZNQCLSA-N 477.550 2.378 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc2[nH]ccc2n1 1819052383 YATHDVVYOBVZPH-INIZCTEOSA-N 483.579 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCS2)[nH]n1 1823500520 CLVWDWDTYXMMJR-QWHCGFSZSA-N 453.615 2.158 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC[C@H]1C1CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)CC1 1827423839 KHHMBKNZYGFBFX-ZDUSSCGKSA-N 477.411 2.081 10 20 JECD C[C@](O)(CC(=O)O)CC(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717444 HXDBZVBTKQRWAG-QFQXNSOFSA-N 498.580 2.015 10 20 JECD Cc1cccc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)n1 1829726153 DQKSIWZEMYNRQL-ZFTMLNQLSA-N 487.940 2.238 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](O)CC2)CC1 1832899331 DSQMTJUDDOVSQE-KZNAEPCWSA-N 467.657 2.018 10 20 JECD COC(=O)c1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c(C)c1 1834988095 DAVXMOHCDZFQMO-UHFFFAOYSA-N 496.564 2.087 10 20 JECD Cc1c[nH]cc1C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835163715 GDXYGGNGXPYCFL-UHFFFAOYSA-N 476.581 2.301 10 20 JECD O=C1CCc2ccc(C(=O)N3CCCC34CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)nc2N1 1843233101 DVWRWDRIWUYZBZ-UHFFFAOYSA-N 456.886 2.162 10 20 JECD Cc1cc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)nn1C(F)F 1843442350 CVEQMNMEHOQXJY-UHFFFAOYSA-N 456.453 2.197 10 20 JECD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039436 OXPVZXBWQHEPLF-WEVVVXLNSA-N 482.493 2.308 10 20 JECD O=C(c1c(Cl)ccc(Cl)c1O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054719 MAHHWKWETSOUOW-UHFFFAOYSA-N 474.391 2.376 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1 726602112 YWVGVBCFLCWEAO-UHFFFAOYSA-N 462.524 2.216 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccc(N4CCN(C(C)C)CC4)cc3)nc12 749285203 VOZOEXGNRLSOMO-UHFFFAOYSA-N 467.526 2.499 10 20 JECD O=C(COC(=O)CSC(F)F)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 825270867 MCJKVAPDEGGPQZ-MLPAPPSSSA-N 490.531 2.232 10 20 JECD CCO[C@H](C)C(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 915501914 FGDXTYCNSKLEKX-GOSISDBHSA-N 478.567 2.266 10 20 JECD O=S(=O)(c1cccc2nsnc12)N1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 916991546 YWTKVRMACFFYFR-UHFFFAOYSA-N 492.526 2.496 10 20 JECD COc1ccc(OC(F)F)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 918462475 AUSDDESKKKKMLK-HNNXBMFYSA-N 476.480 2.253 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H](C)NC(=O)C3CCCC3)cc2F)C[C@@H](C)O1 919353489 KLYRKRPFTHBXAO-BRWVUGGUSA-N 463.550 2.294 10 20 JECD COCCn1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1=O 919577713 UXNJWNSAHNBPEF-HNNXBMFYSA-N 474.469 2.454 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NCCOc2cccc(C(F)(F)F)c2)c1 920637858 MUSLBMJODBEZCB-UHFFFAOYSA-N 476.429 2.135 10 20 JECD Cc1[nH]ccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1778301490 KXYGSANUUREGPX-PXDATVDWSA-N 463.538 2.244 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3cccc4cnccc34)C2)C1 1778606577 AHTWQPHRQSYGTP-HHHXNRCGSA-N 483.528 2.471 10 20 JECD COC(=O)c1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)s1 1780900232 LUFSOXWHPOMIJA-JOCHJYFZSA-N 494.953 2.286 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc3ccccc13)CCO2 1785505452 IPYMCVDMJHUFJQ-WHVGEVHXSA-N 491.500 2.214 10 20 JECD CCOc1cnc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)cn1 1787065300 UTQGLXNHITZFTK-UHFFFAOYSA-N 485.591 2.483 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)cc(C)c1O 1791935439 HKWIQWNVFQACDW-HARLFGEKSA-N 490.560 2.395 10 20 JECD CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)c1 1792094829 KRWZDUNQDBCFJL-IXDGSTSKSA-N 488.928 2.012 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)[nH]1 1798665852 UESHFZJEFVIKNB-JGPRNRPPSA-N 460.503 2.146 10 20 JECD Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1799559110 MTWNFMPQIVTMOI-GPVSGQMNSA-N 464.497 2.130 10 20 JECD CC(C)(C)OC(=O)NCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799770040 BWRCFWLBRUIQKC-CCWDJLKJSA-N 497.976 2.259 10 20 JECD COc1cc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c(F)c1 1800481393 LNPYLOCVWUNUOZ-ZSBIGDGJSA-N 469.535 2.086 10 20 JECD CSCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1803630198 MNVYRQBCGRBMEQ-QAPCUYQASA-N 480.681 2.337 10 20 JECD COc1cnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)c(F)c1 1804283768 OQEBCKSBBBSQAO-PLCSWTFUSA-N 457.458 2.311 10 20 JECD Nc1nc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cs1 1807233742 ZAJZHOAUSLWJHJ-IIBYNOLFSA-N 489.561 2.233 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2c(c1)OCCO2 1808993146 KIAJPBYNSRCTEA-GAJHUEQPSA-N 476.489 2.292 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2nc3ncccn3n2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811804273 UHVOBNWGHSUEON-RDTXWAMCSA-N 493.911 2.217 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cc2cnc[nH]2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146599 SEFPDAHGAWQCCY-IBGZPJMESA-N 460.498 2.161 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccc([N+](=O)[O-])c2c1OCO2 1820239088 HILIWQIHNZJAQE-AWEZNQCLSA-N 496.436 2.473 10 20 JECD Cc1ccc(O)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1 1821994206 GXZYWKZCKHHHBK-NSHDSACASA-N 476.605 2.243 10 20 JECD Cc1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)cn1 1828195341 MHXNNFWCGBQKIU-MXPWBENCSA-N 467.507 2.298 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]c3ccccc13)CC2 1828244546 JZOXVUNSOLNEIO-JTQLQIEISA-N 486.604 2.106 10 20 JECD O=C(CN1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830737682 SYMYNINLEIAZBX-LJQANCHMSA-N 465.978 2.317 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(F)(F)CC1)CCO2 1831012493 FQLBKUBDXOEKSN-ZGVNINRLSA-N 496.507 2.099 10 20 JECD COc1nccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1F 1832902494 NYGIKASCOWSUOB-INIZCTEOSA-N 494.614 2.323 10 20 JECD COC1(CC(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)CCC1 1835133897 JFGOBXDIDKZAOG-UHFFFAOYSA-N 495.624 2.310 10 20 JECD O=C(c1ccc(Cl)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836418979 KGAZFBUJOSBGKD-NRFANRHFSA-N 482.320 2.183 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c3c(Cl)cccc13)CCO2 1839588738 FSDRBLBFEAFZCL-QHCPKHFHSA-N 486.912 2.011 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)n2cncn2)CCO3)cc1 1840420428 KNULCMQVCQURBY-LVXARBLLSA-N 492.580 2.017 10 20 JECD O=C(c1n[nH]c2ccc(Br)cc12)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249955 ULFMCIOBKNAAET-UHFFFAOYSA-N 472.299 2.262 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)C1(F)CC1)C2 1844251454 AVMOVRSYEHEZSS-INIZCTEOSA-N 477.533 2.239 10 20 JECD COc1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(O)c1OC 1845426537 IVPICSVUVAIGNP-WEVVVXLNSA-N 470.478 2.057 10 20 JECD COc1cc(Cl)cc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)c1 1846857078 ASPGEKSUXNWDAF-UHFFFAOYSA-N 453.973 2.026 10 20 JECD O=C(c1ccc(OC(F)(F)F)cc1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054814 RJSMCDUESMZJIP-UHFFFAOYSA-N 473.498 2.263 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)c2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 14761916 XMPUYQOSFKTQIL-INIZCTEOSA-N 483.546 2.286 10 20 JECD Cc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1-n1cnnn1 726726964 SHFSSZBYDMHREB-UHFFFAOYSA-N 471.468 2.296 10 20 JECD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(F)c(S(C)(=O)=O)c3)n2)c[nH]1 727247601 DZYCWLIWWMUAGL-UHFFFAOYSA-N 459.502 2.268 10 20 JECD O=S1(=O)CCN(c2ccc(CNS(=O)(=O)c3cc(Br)c(F)cc3F)cc2)CC1 728587162 MJLUBHWJSUNOBF-UHFFFAOYSA-N 495.367 2.441 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H](c3ccccc3)N3CCCCC3=O)nc12 731253320 HOTUGRUQQDPRNX-HXUWFJFHSA-N 452.467 2.409 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3cc(S(=O)(=O)N(C)C(C)C)ccc3F)CC2)cc1 742920444 PXLVGRUWOCEMCV-UHFFFAOYSA-N 492.617 2.415 10 20 JECD CC(=O)Nc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(F)cc1F 743392207 ZDQJRNBJCKPVAC-UHFFFAOYSA-N 464.444 2.278 10 20 JECD CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 743432838 UCNUBKXITOCADS-UHFFFAOYSA-N 467.570 2.229 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(OC)c4ncccc34)CC2)cc1 743433080 VYCAHJBKERERQX-UHFFFAOYSA-N 463.538 2.129 10 20 JECD C[C@H](OC(=O)c1csc(S(N)(=O)=O)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 760632116 PBMBPLFLKPLZLJ-NSHDSACASA-N 484.511 2.355 10 20 JECD O=C(CN1CCCN(C(=O)c2ccsc2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 917410497 UAIYQSBBHVUMLB-UHFFFAOYSA-N 460.575 2.188 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)C1 918117015 FEISDSMGKODTJD-HXUWFJFHSA-N 467.545 2.195 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccccc3NCCO)cc2F)C[C@H](C)O1 918811338 HLCRXHMXTSNZNC-IRXDYDNUSA-N 459.518 2.317 10 20 JECD COc1cc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc(OC)c1OCC(N)=O 919895635 PYARDNZCCIWVHI-UHFFFAOYSA-N 468.554 2.352 10 20 JECD COCCN1C(=O)/C(=C\Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)C(=O)NC1=S 920974830 UXXQUDJOAPEQPG-AQTBWJFISA-N 454.508 2.133 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCc3ccccc3C1)C2)c1cc(O)nc(O)c1 1777850462 CVMOAHKXYQMVSC-NYUJMHJJSA-N 465.550 2.425 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3csc(C(F)(F)F)n3)C2)C1 1779761279 FBQPCWRSAKTEHQ-WLMDGNKMSA-N 499.467 2.436 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)N4CCN(C)CC4)C3)C2)cc1 1781097845 ZFCDLRUECLHEGA-QDPGVEIFSA-N 493.652 2.174 10 20 JECD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007547 HHEYXHFDUHCXCR-OAQYLSRUSA-N 477.857 2.122 10 20 JECD O=Cc1ccccc1-c1cncc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)c1 1782766260 QZROJZGEHYLGBP-AREMUKBSSA-N 488.500 2.125 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(F)(F)F)C[C@@H]21)c1cc(O)nc(O)c1 1787295274 BHMLTIUYPPSDCR-NUTKFTJISA-N 465.428 2.419 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1793106695 QMYKMWDEIGTZCY-WRSHOCEHSA-N 458.511 2.044 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(Cl)c1)C2)c1cc(O)nc(O)c1 1796140047 ADVCQJKYPXNDRH-IVWMJMPLSA-N 496.745 2.426 10 20 JECD COc1cc(Cl)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796482546 HRXCRKFHEDNAPA-GPVSGQMNSA-N 496.951 2.345 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc(C(F)(F)F)[nH]1 1797990838 BZPNKQCPLPKENH-WFRBFAAJSA-N 481.427 2.067 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1csnn1 1803758028 WJBCHTPBXBCLDI-UVKZZVNJSA-N 467.507 2.083 10 20 JECD CC(=O)N(C)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1804072964 NSPCKLDCVVGSDU-KKSFZXQISA-N 474.945 2.334 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cc(F)c(F)cc1F 1804335708 GBZAUTROQQXVLY-JGPRNRPPSA-N 457.499 2.216 10 20 JECD Cc1oncc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1805800662 NXMAVYOSGKCWEU-MBSDFSHPSA-N 472.505 2.491 10 20 JECD COc1ncc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1C 1807990180 FYTCBQCLJNAXOH-IIBYNOLFSA-N 463.494 2.233 10 20 JECD CC(C)n1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n1 1807994246 DZJSBPKMYINZKO-KKSFZXQISA-N 450.499 2.299 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001645 VGIKDAXDKFGMPY-LHSJRXKWSA-N 479.449 2.135 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc2ncsc2[nH]1 1810578168 CUQIGVJSTBMMDA-DJJJIMSYSA-N 464.507 2.459 10 20 JECD Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(-n2nccn2)c1 1811445696 INENHHSZQGSNAT-HOYKHHGWSA-N 499.531 2.410 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccc([N+](=O)[O-])[nH]1 1811620619 YUQVFDKAEJPNBY-SXXNRXISSA-N 493.476 2.468 10 20 JECD Cc1nc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)no1 1811798567 RRAWZSPZGVGWKW-XOBRGWDASA-N 471.901 2.400 10 20 JECD O=C(COc1ccc(F)cc1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1813732437 QWWZQSDSXPUWKK-GFCCVEGCSA-N 494.595 2.134 10 20 JECD Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c(O)c1 1813784131 ZPYYPXPYVMCHOP-IIBYNOLFSA-N 484.603 2.276 10 20 JECD O=C(Cc1ccc2c(c1)OCO2)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1814137495 HWNXTIIENAKYIW-ZDUSSCGKSA-N 468.491 2.147 10 20 JECD CC(C)n1nccc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814189169 MTQCXWKMODSLQW-OXQOHEQNSA-N 486.623 2.039 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3cccn3cn1)CC2)c1cc(O)nc(O)c1 1816725767 PAYSZVVZOMCTKE-LBPRGKRZSA-N 450.480 2.137 10 20 JECD Cc1ncncc1C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361776 GJCXDABSDFPCCJ-AWEZNQCLSA-N 475.534 2.260 10 20 JECD CC(C)c1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)n[nH]1 1821551798 OLGDDOIUQSHSFY-SNVBAGLBSA-N 478.625 2.076 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCS1(=O)=O)CC2)c1cc(O)c(O)c(Cl)c1 1823712723 VOJMBBYORGSWNK-ZUZCIYMTSA-N 485.971 2.011 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1825128678 IHVVYZKJWHOLMY-XZXOBPBMSA-N 499.524 2.241 10 20 JECD O=C(CNC(=O)C(F)(F)F)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1826144773 RRLUGEKHRBMYIR-MRVPVSSYSA-N 492.863 2.112 10 20 JECD Cc1nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)c(=O)[nH]c1C 1832877205 XYRPLOWNFATCHC-XSBJJCPUSA-N 496.564 2.450 10 20 JECD C/C(=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)C(=O)O 1832882626 LQKZFWCPJLWUNL-KBLWNETJSA-N 458.511 2.467 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3nc(Cl)ccc3F)CC2)CC1)c1cc(O)nc(O)c1 1834985536 JNGWGMNAAIDNMU-UHFFFAOYSA-N 477.924 2.179 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3csc(-c4ccccc4)n3)C2)C1 1836418303 MRAJPGSRDCINCN-DEOSSOPVSA-N 496.545 2.000 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)c3ccc(=O)oc3)CC2)CC1 1837587915 ABVQMTLKAJDOED-UHFFFAOYSA-N 492.532 2.045 10 20 JECD CCCCC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1839902239 LYYXXIGNIGVWLA-FQRUVTKNSA-N 484.597 2.452 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cn3c(Br)cccc3n2)C1 1844149789 OUFAUYJYPKRURD-UHFFFAOYSA-N 472.299 2.034 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 10907325 OTHALUMGAQUHCG-UHFFFAOYSA-N 482.606 2.343 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 106014616 NBSLAHXMTHAJKT-WOJBJXKFSA-N 460.600 2.206 10 20 JECD CCOC(=O)C1=C(C)C(C(=O)NC)=S=C1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 609326521 IOOGYDSVOZKWDS-UHFFFAOYSA-N 482.440 2.160 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(CCN4CCOCC4)CC3)cc2F)C[C@H](C)O1 726071340 TYIHAVUFNAERCS-SFTDATJTSA-N 476.637 2.490 10 20 JECD COCCOc1ncccc1NC(=O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 728143157 BAFAXVFBNLDYHA-UHFFFAOYSA-N 464.469 2.432 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)c1 729062727 VBABFKDEFMLBAG-AWEZNQCLSA-N 463.556 2.435 10 20 JECD NC(=O)[C@H]1CC(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)=NN1c1ccc(F)cc1 917380992 PYICQDNYRAZACJ-HXUWFJFHSA-N 493.461 2.418 10 20 JECD COC(=O)[C@@H](C)NC(=O)c1ccc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c([N+](=O)[O-])c1 917391534 YYMAWHRZIMJSJK-QAPCUYQASA-N 483.525 2.200 10 20 JECD Cc1c(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 918297936 VMZNIKYSXUIYFX-FQEVSTJZSA-N 464.522 2.336 10 20 JECD CC(=O)N[C@@H](C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C1CCCC1 918922350 HZDJABSGTLNEAR-VBURHUQHSA-N 463.550 2.294 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 920031527 FMSXPMDMWNQNSN-MSMHZAPESA-N 476.577 2.285 10 20 JECD NC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)C1 920428585 SJTUDQFLQGDONN-UGMNDJHYSA-N 468.398 2.374 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1779450177 ZPGSVPFWFKOPMJ-YSNSILARSA-N 477.876 2.148 10 20 JECD O=C(CC12CCCN1CCC2)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1781135371 XDSAHRDYOBKASZ-QHCPKHFHSA-N 463.962 2.213 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)cc1 1781751680 VGFWPMRUGOQPEB-MHZLTWQESA-N 487.560 2.345 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1ccc3cccnc3n1)CCO2 1782005507 KGSHVAGUDIRBCZ-QHCPKHFHSA-N 468.897 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3cc[nH]c13)C2 1783248248 WWIMIESKMIZHJM-UZUQRXQVSA-N 486.619 2.156 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc(Cl)cn3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242054 JHYDWUAQFOKMFN-NKFCBESUSA-N 467.309 2.102 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1792125293 ITHVTYYVCVKEHE-YEWWUXTCSA-N 497.976 2.259 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCc3ccncc3)C[C@@H]21 1792217801 NMWKJLAWIQUZMW-BOJSCZBBSA-N 481.549 2.214 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2ccco2)cc1 1795847622 VLESHDJMOATTAM-GQEURGSBSA-N 490.560 2.320 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cccn2ccnc12 1796934966 YKDNNBMPNUWCCF-GGPHIMKMSA-N 456.506 2.379 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1Cc2ccccc2O1)C1=NN(c2ccccc2)C(=O)C1 1797825369 SAYNBGJTBVEBCX-USKVXJDGSA-N 458.518 2.421 10 20 JECD Cc1ccc(S/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CSC2=S)cc1 1802105450 WSCBUNIIEUXEEQ-VASXEIHQSA-N 491.660 2.051 10 20 JECD CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1803596458 SAEIVLAHRSSJNF-KXBFYZLASA-N 474.945 2.381 10 20 JECD O=C(Cc1ccc2c(c1)CCC2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804330849 LTPYUPCGFHSULO-REPLKXPHSA-N 457.621 2.216 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccsc1 1805429519 WEPYCUZGZLIKCK-KBXCAEBGSA-N 460.606 2.323 10 20 JECD Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(-n2nccn2)c1 1807995962 WFSVUNXUHHUWQR-MHECFPHRSA-N 499.531 2.410 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1808001850 RHVCXMNXAQISQM-HRAATJIYSA-N 485.541 2.122 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2csnn2)[C@@H]1c1cccnc1 1814162540 UCEXXVGTBFUIFR-CVCWVKEYSA-N 467.507 2.083 10 20 JECD Cc1nccn1CC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814165365 FAMQTAAMLWVJMU-JSBPENQTSA-N 477.521 2.123 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CC2)c1cc(O)nc(O)c1 1816727377 RJASCZKJFKGNLD-JTQLQIEISA-N 499.461 2.126 10 20 JECD O=C(CCN1CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816976652 ANAPIRMFEZMCEJ-MRXNPFEDSA-N 478.644 2.138 10 20 JECD COc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)c([N+](=O)[O-])cc1O 1817847718 UKJMNCYDGAYDRE-CQSZACIVSA-N 498.452 2.458 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145735 IAZDYVPHJHDUMX-HNAYVOBHSA-N 479.541 2.109 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cncnc2)[nH]n1 1823477122 ZNJUVAIPLKSSKT-UABRLCRWSA-N 464.482 2.265 10 20 JECD CC(C)c1nc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)no1 1825121303 PYLLGJPGRIIQCG-KRWDZBQOSA-N 457.531 2.475 10 20 JECD O=C(C[C@H]1OCCc2ccccc21)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833432724 LSXIHZHDAKYRQO-HSZRJFAPSA-N 494.592 2.382 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)Cc3cccc4ncccc34)CC2)CC1)c1cc(O)nc(O)c1 1834985450 FPASUZIINISNRZ-UHFFFAOYSA-N 489.576 2.469 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1cocn1)C2 1843331349 NVBOWMMCJOGPAN-GOSISDBHSA-N 469.542 2.210 10 20 JECD CN1CCc2cc(C(=O)N3CC4(CCCN4C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)ccc21 1843441516 FJSPVIABHAWSTM-UHFFFAOYSA-N 457.534 2.289 10 20 JECD O=C(c1cc(-c2ccccn2)[nH]n1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038242 GVBJPJRBAHCUHW-SOFGYWHQSA-N 461.478 2.119 10 20 JECD Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 39616220 JYEIGLXTOKEGFA-UHFFFAOYSA-N 455.323 2.488 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)cc2F)C[C@H](C)O1 726382208 XEBLOZDDCYCYGP-HOTGVXAUSA-N 477.558 2.064 10 20 JECD CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 727600160 BVZQSDBCZGYWAT-OAHLLOKOSA-N 464.563 2.255 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)C[C@H](c3ccccc3)N3CCOC3=O)nc12 728382145 WFEMGWUFPGNKAD-QGZVFWFLSA-N 454.439 2.238 10 20 JECD CSC[C@H](C)C(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 731389654 CSGNDPIDGQSZNY-WIJRQFRKSA-N 482.605 2.275 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@H](C)NC(=O)c3ccc(Cl)cc3)CC2)cc1 748126762 WQQZDFSOCSRSIN-INIZCTEOSA-N 459.930 2.359 10 20 JECD NC(=O)C1CCN(c2ccccc2NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 749024268 PARIFYZECACXNX-FQEVSTJZSA-N 480.565 2.240 10 20 JECD CC(=O)N1CCCc2cc(NC(=O)C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc21 750352692 KJNFGVHVMFMBMT-UHFFFAOYSA-N 468.529 2.341 10 20 JECD NC(=O)C1CCN(C(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)CC1 914069942 KSAMFGJCPREXEZ-NTEUORMPSA-N 468.398 2.374 10 20 JECD CCN1C[C@H](CN(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)Oc2ccccc21 917020175 DMTIYKMPKNOJJU-FQEVSTJZSA-N 456.562 2.498 10 20 JECD CN(C)CCOc1ccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 918117928 SZGBWMBGLMCKKJ-OAQYLSRUSA-N 453.587 2.328 10 20 JECD CC(C)CN1CCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 919782936 PLXFRRGYQLSCQF-UHFFFAOYSA-N 455.582 2.426 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(F)(F)F)C2)c1cc(O)nc(O)c1 1777847515 DCVGLSUKMDTUDX-IIBYNOLFSA-N 480.443 2.348 10 20 JECD CCSc1cccnc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785508128 YJUQGTGICFHGCZ-YFTVHVBSSA-N 485.562 2.467 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C[C@@H]21)c1cc(O)nc(O)c1 1787291216 NCHQWVBTHVIISG-WBAXXEDZSA-N 495.454 2.227 10 20 JECD Cc1cccc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)n1 1792471353 QXPVVRCKWYCONW-CTSHNCOSSA-N 457.914 2.371 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796935432 JCWZZBJYUOMIHG-YPGIMCOVSA-N 490.516 2.248 10 20 JECD CC(=O)Nc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)o1 1798440243 SAKIKODMKKTXTL-AKNOBNDCSA-N 455.467 2.320 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)C2)c1cc(O)c(O)c(Cl)c1 1799767002 LWLHIQSKJSAATP-CWPLJXCYSA-N 499.951 2.373 10 20 JECD COc1cc(Cl)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1801812830 SOKYZNRWOMZHQB-JGJYOGFUSA-N 488.924 2.382 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1ccc(CO)c(F)c1 1804291787 WZDHFKFQZBMETR-DTUWPTEXSA-N 456.470 2.400 10 20 JECD O=C(CCc1ccco1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1804591584 MZYWMCJXQOERSJ-IERDGZPVSA-N 472.592 2.174 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c(C)o1 1805565631 MQXWMXUAYHHQAR-UZLBHIALSA-N 472.592 2.471 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1ccc(=O)oc1 1806116864 HSVFKYWHYRUIMX-MHECFPHRSA-N 485.500 2.147 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(-c3ccccn3)[nH]n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994008 CSBJVNZCQUACAY-QMHKHESXSA-N 485.504 2.306 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc3ccnn23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998259 BZYMDVIMZOMQRH-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD CCO/C=C/C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808468867 FQGZUTQLXDJWHR-RURASTEDSA-N 461.522 2.431 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1 1810555051 YCOTXLQCYCLRHU-UHFFFAOYSA-N 480.481 2.436 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)C2CCOCC2)[C@@H]1c1cccnc1 1814162543 LXBRJCQWOXPJIQ-YCUVPZCXSA-N 467.522 2.344 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2c[nH]c3nccc-3c2)[C@@H]1c1cccnc1 1814188858 BYJSCCMOHZSGRA-OXQOHEQNSA-N 494.602 2.089 10 20 JECD O=C(CNC(=O)c1ccco1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1815654863 YMTDHDRWDXLNJP-LLVKDONJSA-N 490.925 2.457 10 20 JECD Cn1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1C(F)(F)F 1816720905 CNJJCMMCYATMCX-SECBINFHSA-N 482.444 2.241 10 20 JECD Cc1cnn([C@H](C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c1 1822751269 KNKAQLHLXVRRAL-HIFRSBDPSA-N 475.600 2.028 10 20 JECD COC(=O)CSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476817 PGPVOYLCJVFYFO-VFADXPBXSA-N 490.538 2.138 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1823789134 ZAJUYXQTAJFSRG-JTHBVZDNSA-N 481.597 2.314 10 20 JECD Cc1ncncc1C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838110556 XSPPHIYGJMIUTO-UHFFFAOYSA-N 490.564 2.190 10 20 JECD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1cccs1 1840378477 UQPTTWLGDUCNSL-OZXWZZFLSA-N 488.562 2.138 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)/C=C\c2c[nH]c3ccccc23)C1 1841973427 NUAYSLVPMIGHNC-SREVYHEPSA-N 454.577 2.245 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)c1ccccn1)C2 1844251614 LNVYVVNOYZKZDX-IBGZPJMESA-N 496.564 2.446 10 20 JECD C[C@H](C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[S@@](=O)c1ccccc1 1845780590 LYQBZAJYZNKIRQ-PRTHALMGSA-N 470.547 2.216 10 20 JECD CN1CCCc2cc(CNC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCOCC3)ccc21 109459578 HOKUDBJBGKWGLD-UHFFFAOYSA-N 472.611 2.086 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CCN(c4cccc(OC)c4)C3)CC2)cc1 728219283 LBNASTQNEGHGDT-HXUWFJFHSA-N 453.587 2.404 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC(CCN4CCOCC4)CC3)cc2)C1 729600043 VDTVDUVFMLHNQS-JOCHJYFZSA-N 457.619 2.032 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 849207888 WKHLNYFGUUFFCI-QGZVFWFLSA-N 499.545 2.109 10 20 JECD CN(C)c1cc(F)c(CNc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1F 863993237 NHEGYBPPIBFTQN-OAHLLOKOSA-N 459.540 2.108 10 20 JECD Cc1cc(-c2nc(-c3cn(CCO)c(=O)nc3O)no2)c(C)n1-c1ccc(Br)cn1 904850483 TWZVFSDYPWMLMK-UHFFFAOYSA-N 473.287 2.223 10 20 JECD Cc1cc(=O)c(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nn1-c1ccccc1F 917833861 ULXPQUSZPVNPIU-SFHVURJKSA-N 463.513 2.312 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2F)C[C@@H](C)O1 917918189 LZMQRBVRPYQEEI-OKILXGFUSA-N 461.515 2.144 10 20 JECD COC(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(F)cc1F 918440483 RMIXZFGXTYRHMI-UHFFFAOYSA-N 465.428 2.107 10 20 JECD CCN1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2)CC1 918442222 GZDBDPKMODHRGH-UHFFFAOYSA-N 479.625 2.292 10 20 JECD CCOC(=O)c1cnn(-c2cccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)c2)c1C 920196351 QKSMQDCEZHPSQI-UHFFFAOYSA-N 491.548 2.449 10 20 JECD C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(N2CCOCC2)cc1 920879853 VVAQDVNTSAIRNF-KRWDZBQOSA-N 479.624 2.026 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1n[nH]c2cc(Cl)ccc12 1779114379 NUELDIKCTLYASH-UZUQRXQVSA-N 485.928 2.464 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)cn1)C2)c1cc(O)c(O)c(Cl)c1 1781121198 JJKFFRIGZOQCME-XMSQKQJNSA-N 461.902 2.293 10 20 JECD O=C(Cc1cccc(F)c1F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1781926313 WULPCFHROXSBJN-UZUQRXQVSA-N 461.465 2.141 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)C1=NO[C@H](c3ccccc3)C1)CCO2 1785505752 OJNSBBKMYGAEPE-SZQGMLEGSA-N 493.516 2.164 10 20 JECD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)s1 1785508319 BLTNMXAGQIMDPO-PHUOZXCHSA-N 460.508 2.030 10 20 JECD O=C(CC[C@@H]1CNc2ccccc2C1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1786900303 JBFQFJXECDSYDW-UZSDIVCKSA-N 480.565 2.151 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)nn1C(F)F 1792217592 BDWAXXPLTGTFMD-KOSDZWPSSA-N 492.479 2.010 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3F)C[C@@H]21 1792217695 HVUPZYSRAISGTF-PFAFGPMFSA-N 456.470 2.249 10 20 JECD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)s1 1794631618 APDSWBISQBAEOM-VPTLXERWSA-N 452.536 2.053 10 20 JECD CCc1[nH]nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)c1F 1796932658 OQELOGSKNKTUAB-RBVVOMGSSA-N 452.490 2.156 10 20 JECD Cn1c(=O)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)nc2ccccc21 1797523399 MOPDXRKLUVUNHN-KRHCQGPRSA-N 490.516 2.016 10 20 JECD CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1804045913 QWAKFKIWACOEOY-FZKCQIBNSA-N 480.587 2.001 10 20 JECD COC(=O)c1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)s1 1807277702 KGISBUBWILQTFO-QRQCRPRQSA-N 496.545 2.298 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(Cl)cc3nn[nH]c23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995037 MKJLQIXFMSYUCY-YEJXKQKISA-N 493.911 2.446 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3cccnc3nc2O)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999746 MYXNGVLUANSCBT-IIBYNOLFSA-N 486.488 2.170 10 20 JECD O=C(NC[C@H]1CCN(C(=O)COc2cccnc2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808465162 QYTBPDWRECAFLF-IBVKSMDESA-N 498.543 2.354 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc2c(c1)COC2 1809312634 VDYCQUBSOJAQDF-JTSKRJEESA-N 496.614 2.292 10 20 JECD Cc1ncncc1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1810975868 ROGVJUNHUAPFCF-IAADTXTGSA-N 475.505 2.330 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811799088 VBICCHAOBNSCRV-FOIQADDNSA-N 468.897 2.413 10 20 JECD Cn1cc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)cn1 1813460181 VZDVNBYMBOOOKS-HRAATJIYSA-N 469.929 2.442 10 20 JECD C[C@H](Cn1ccnc1)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814165081 BUVSXFVPIVZUKU-CVUNGATBSA-N 491.548 2.450 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccccc2F)[C@H]1c1cccnc1 1814190113 QSSBLMJTBVUXAA-QRWLVFNGSA-N 472.567 2.401 10 20 JECD Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cn1 1816373873 PLVQQIISETWUMV-OAHLLOKOSA-N 458.569 2.279 10 20 JECD Nc1c(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)sc2nccnc12 1816722481 IOAWKBQSAVGCRM-VIFPVBQESA-N 483.535 2.076 10 20 JECD CC(=O)C[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367394 ZMUBBPFQLQQPLW-UKRRQHHQSA-N 467.551 2.463 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)Cc2ccccc2)[nH]n1)c1cc(O)nc(O)c1 1817847172 NEOAFJDBYIATER-MSOLQXFVSA-N 451.483 2.125 10 20 JECD CCc1ncsc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1821793326 HKGVWHXJSZDUIZ-VIFPVBQESA-N 481.650 2.248 10 20 JECD Cc1nccn1[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822886233 ZGVMRBHHQRUAMB-IUODEOHRSA-N 475.600 2.028 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2[nH]nc3ccncc23)CC1 1827485714 VGIHHEBPGVDAEQ-GOSISDBHSA-N 450.499 2.311 10 20 JECD CC(=O)Nc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)ccn1 1827973952 OUNDEDFOQMVZTM-LJQANCHMSA-N 467.526 2.393 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2nn[nH]c2C(F)(F)F)CC1 1829792830 YWNSGLITAJXWJF-ZDUSSCGKSA-N 468.436 2.177 10 20 JECD Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)cn1 1834129739 BTZJVMFNLLSANQ-UHFFFAOYSA-N 488.592 2.368 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838030370 SUTNCADBOVGQGI-UHFFFAOYSA-N 496.564 2.361 10 20 JECD Cc1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1839431719 ILXQQRBUCNAGBQ-DEOSSOPVSA-N 490.940 2.209 10 20 JECD Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1839939828 QFSCAHDBGASGAH-HWOQGQEBSA-N 496.560 2.214 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)c1ccno1)C2 1844251778 WKOPISZYJVDYNZ-INIZCTEOSA-N 486.525 2.039 10 20 JECD C[C@H](C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)N(C)C(=O)OC(C)(C)C 1847038241 JBTJAIHBLPXYJW-TUPIDYKKSA-N 475.542 2.275 10 20 JECD CC(C)OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1847337815 MASAIULEZZBTAO-FHWLQOOXSA-N 491.585 2.160 10 20 JECD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 748471574 SKCQSCIDFUGOLW-OAQYLSRUSA-N 491.592 2.188 10 20 JECD CS(=O)(=O)CCOc1cccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 750711047 UZJAARAIFSWZMB-SFHVURJKSA-N 474.583 2.133 10 20 JECD CN(C)c1ccc(CN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C2CC2)cc1 917073909 HOTMHTRCWQQOFC-RUZDIDTESA-N 478.593 2.228 10 20 JECD O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)c(S(=O)(=O)N2CCOCC2)c1 917086556 BYBPRKWFBHHZPZ-UHFFFAOYSA-N 480.518 2.204 10 20 JECD CCCNC(=O)[C@H]1CN(C(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2ccccc2O1 918297256 OIHFFRFARFXEBD-WMZHIEFXSA-N 481.549 2.220 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cccc(NC(N)=O)c3)cc2F)C[C@H](C)O1 918984560 HQOQXTLWUUGBSD-GJZGRUSLSA-N 458.490 2.403 10 20 JECD CC(C)CS(=O)(=O)CC(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 919334059 VWGBINMBLMZEAK-CQSZACIVSA-N 457.504 2.403 10 20 JECD O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 920092178 LUJOPPBLWVGNHF-FQEVSTJZSA-N 482.516 2.380 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(I)cc1 920195960 GAPMOPKWSAUXRU-UHFFFAOYSA-N 465.291 2.383 10 20 JECD COc1cc(C)c([C@@H](C)NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1OC 920638149 OHKUTZAEQAUCCH-CYBMUJFWSA-N 466.512 2.124 10 20 JECD O=C1CC[C@]2(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)Sc3ccccc3N12 920739864 RILBKCCARXDOFA-JOCHJYFZSA-N 457.577 2.167 10 20 JECD CCOC(=O)C1=C(C)C(C(=O)NC)=S=C1NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 1352780515 VTWKAPMNHUBTKT-UHFFFAOYSA-N 454.508 2.019 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cncc(F)c1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126151 IBYVWVAMYYUXEM-PXDATVDWSA-N 479.512 2.141 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1S)C2)C1=NN(c2ccccc2)C(=O)C1 1778127045 XHWJFQXNNZPVCR-CJFMBICVSA-N 493.589 2.291 10 20 JECD CCC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781123527 TZQWBTSCMBGPNO-GEQKSPFYSA-N 481.977 2.184 10 20 JECD Nc1ccccc1/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003027 ZLOSQLBRNZCLJB-NFOSPISASA-N 457.914 2.490 10 20 JECD Cc1cc(C)n2ncc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)c2n1 1782005655 SYMDYICBABYOLP-QHCPKHFHSA-N 485.928 2.168 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1782008210 SRWHXOWLZSHWIE-JOCHJYFZSA-N 456.886 2.156 10 20 JECD Cc1cc(C)nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1 1787539117 QPRKFEOOQVNSNA-LEDOBFOHSA-N 475.549 2.085 10 20 JECD CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)CC1 1790972779 OWLDDYFFLZKWNY-VMXHOPILSA-N 481.684 2.433 10 20 JECD COc1ccc(F)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1791953219 COAXQJRJIKSMCI-GRWTVWFQSA-N 494.523 2.221 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1cccc2c1CCCC2 1791998810 WZCLCHKJKRJGGX-VDGAXYAQSA-N 487.647 2.019 10 20 JECD CCCCC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792241818 HGLTWCJCEJPNQZ-QZWWFDLISA-N 455.646 2.043 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc[nH]n1 1793738808 BIXXJCQXWHDSRU-SFNKJDCFSA-N 499.568 2.209 10 20 JECD Cc1ccn2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)c(O)c(Cl)c3)cnc2c1 1799767923 BDLVSQUODOCLJR-YVWYUNDQSA-N 470.913 2.224 10 20 JECD N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1)c1cccc(Cl)c1 1799770732 BDPGVUMWEOCVEZ-FTUNRGFVSA-N 480.348 2.308 10 20 JECD C/C=C/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1800482549 UCMZIIIHKZGZBW-BZULIHOESA-N 498.624 2.427 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1cnco1 1803857906 BBJPZVJDJLAYHE-VGOFRKELSA-N 458.478 2.182 10 20 JECD Cc1noc(C)c1CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804603246 CZRDXWNMXVXWMW-SBUREZEXSA-N 465.510 2.445 10 20 JECD Cc1ccn2ncc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c2c1 1807992963 FLCGQROWKMOEOC-SBUREZEXSA-N 472.505 2.477 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2c[nH]c3ncccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996451 STCVRKDORATLKL-YCRPNKLZSA-N 458.478 2.398 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)n3)C2)CC1 1810888779 JIGMDQKFHZAZGB-UHFFFAOYSA-N 462.890 2.111 10 20 JECD O=C(Cc1ccc(F)cc1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1813937361 OVBYPQQDKRTLES-ZDUSSCGKSA-N 478.596 2.297 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)C1(O)CCC1 1814161075 BHOIFJCWEIIUMH-OXFPBFHOSA-N 481.549 2.469 10 20 JECD CSCC[C@H](O)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814165940 MGTKXWLDKBSLAT-JSFTZJQYSA-N 487.578 2.032 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2nc[nH]c2c1 1819067782 QGNXMHWRCAMGSY-GFCCVEGCSA-N 450.480 2.365 10 20 JECD Cc1nccn1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476012 PPAXXGUXQWCOEL-DBWMJRBXSA-N 466.498 2.437 10 20 JECD CCc1[nH]nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1F 1825655589 WEDAMSVVINQUCL-OAHLLOKOSA-N 481.619 2.205 10 20 JECD Cc1ncoc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1826069220 XKXSLCSUOALFHC-HNNXBMFYSA-N 450.586 2.077 10 20 JECD Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)no1 1826643418 DKAHUHBERBYNGR-LPZVBRGNSA-N 470.507 2.424 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900489 VEYVWOWJNBWAAO-LPHOPBHVSA-N 490.651 2.329 10 20 JECD COc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1N(C)C 1834987429 TUPIRZMLSVNQSX-UHFFFAOYSA-N 497.596 2.066 10 20 JECD CC(C)(C)CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840896904 AVMIBLMXEYGRAO-HSZRJFAPSA-N 499.699 2.300 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)c4ccc(F)cc4F)CC3)cc2)C1 727033065 PFYXHZNOYKSPHU-SFHVURJKSA-N 485.535 2.334 10 20 JECD CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 748384173 QBEKVEQUMWKCGI-HXUWFJFHSA-N 463.550 2.249 10 20 JECD C[C@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 800056616 YJJHLLJQHWMXQA-AWEZNQCLSA-N 489.484 2.197 10 20 JECD CS(=O)(=O)c1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c(S(C)(=O)=O)c1 917251863 LJOSEWRBINJEAB-UHFFFAOYSA-N 456.561 2.206 10 20 JECD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 917512848 HQMVXBBLZQLONU-QZTJIDSGSA-N 466.629 2.267 10 20 JECD O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc(N2CCC(CO)CC2)cc1 918203010 UDEBCOGMWWRDMF-UHFFFAOYSA-N 471.602 2.339 10 20 JECD O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918295220 OTKCNLXFJPVSRI-HXUWFJFHSA-N 487.578 2.323 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncccc1F)C2)C1=NN(c2ccccc2)C(=O)C1 1778127312 FHSQZKPCBYVBKD-CJFMBICVSA-N 479.512 2.141 10 20 JECD C[C@@]1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CC1(F)F 1783144719 RMZPLDRWULWISD-YFXJRYMSSA-N 474.508 2.339 10 20 JECD O=C(CCc1ccccc1F)N1CC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1784738455 OSQHFWHSXRDLRP-AREMUKBSSA-N 478.524 2.381 10 20 JECD C[C@@]1(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)CC=CCC1 1784754020 WNOCRTAGJAJRDM-RPBOFIJWSA-N 450.539 2.356 10 20 JECD Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785509489 QJWBQODKCCJYRN-CFSVISAESA-N 452.507 2.198 10 20 JECD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccc(O)cc1 1785510418 ZOHSYPGPKMUAEA-GPGOVWBRSA-N 468.506 2.156 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc31)CCO2 1785510503 NEIVFJZDBNFWFG-JAGNOKMQSA-N 464.518 2.377 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)C[C@@H]21)c1cc(O)nc(O)c1 1787292416 OYCZXZAFLOPPFP-ZQOVORKSSA-N 455.486 2.029 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)c(F)c3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540274 RVKHIHADWABNRJ-ZJBJCVSYSA-N 482.487 2.351 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncncc4c3)C[C@@H]21 1792217606 CFSCKHGMEDSXBS-WWLRIXDCSA-N 490.516 2.053 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1793337206 ZFTCEGUYCCUTTR-JWYNJWGYSA-N 474.558 2.438 10 20 JECD CC(C)c1nc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)no1 1794273514 LQYHJGMORLFBPD-SEDYWJOHSA-N 456.499 2.204 10 20 JECD CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1795606803 WSISWGYFLNBFRD-FCGDIQPGSA-N 491.585 2.208 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)n2ccnn2)C3)cc1 1799622695 YHMIQNMXARDTLP-WRHDZBKDSA-N 462.554 2.150 10 20 JECD Cn1cc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)ccc2n1 1799911753 MZOAGYPSICBIMI-CWPLJXCYSA-N 470.913 2.155 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOc1ccc(F)cc1)C2 1802077411 FGVIHHRHBWWEHS-HRQNJBFSSA-N 486.496 2.014 10 20 JECD COC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1803673987 HMAOKDIIDGKAEQ-LTMIRXACSA-N 463.538 2.163 10 20 JECD CO[C@@H](C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccc1 1806450041 YLSBDVIZPZCQNQ-VLCRHTCISA-N 498.630 2.335 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cnc2ccoc2c1 1808130393 LHOHSIGNIRMMCB-QVKFZJNVSA-N 495.586 2.403 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cnoc1 1808528838 DCEWHGGBXSDCOX-SFFRXTGVSA-N 450.451 2.219 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1nc2ccccc2[nH]1 1809042528 XEVHIKMTHOMFHB-BTYIYWSLSA-N 458.478 2.398 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCO2)[C@H]1c1cccnc1 1814165022 AZZIOKGFHGWDLL-GRRCIFBWSA-N 453.495 2.097 10 20 JECD CC[C@@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1814473985 SFQUFVALLUHPLU-XLIONFOSSA-N 479.541 2.109 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2c(c1)OCO2 1817971380 VKLGHDLMNYMPCM-GFCCVEGCSA-N 454.464 2.218 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1818121763 LEYJSKUYPVCXNB-MGPUTAFESA-N 479.541 2.062 10 20 JECD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)n1ccnn1 1821722261 VEFZLFCGNXTAIY-KXBFYZLASA-N 475.513 2.047 10 20 JECD O=C1COc2ccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)cc2N1 1827428615 ZEPWDRUKBNBJSL-IBGZPJMESA-N 480.521 2.371 10 20 JECD O=C(C[C@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896382 GDHBMRGVKOQBSO-MSOLQXFVSA-N 467.657 2.426 10 20 JECD O=C(c1ccnc(F)c1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896445 ITOVLGVVMKXLES-INIZCTEOSA-N 464.588 2.314 10 20 JECD O=C(c1cccnc1S)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899125 GPORUCNGQBCDIR-INIZCTEOSA-N 478.665 2.464 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1)c1cc(O)nc(O)c1 1834988715 IBIQAMFTVMSPJV-UHFFFAOYSA-N 460.481 2.270 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(N3CCC(NC(=O)COCCO)CC3)CC2)cc1 1836410962 ZXPMUVGYSCRSMU-UHFFFAOYSA-N 482.625 2.288 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)c3cc(=O)cco3)CC2)CC1 1837590590 YBNKDGXQXBAXMD-UHFFFAOYSA-N 492.532 2.045 10 20 JECD Cc1cccc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1839370383 OXBFEDPECCIXOO-TTZARTBGSA-N 482.533 2.204 10 20 JECD Cc1ccccc1NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434056 KOVTVPIMTGTYJH-DEOSSOPVSA-N 489.956 2.242 10 20 JECD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1843382957 MIJGGYQOEXWSNN-OAHLLOKOSA-N 483.949 2.108 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cn3cc(C(F)(F)F)ccc3n2)C1 1844062307 LLECLLJWRKUUJN-UHFFFAOYSA-N 497.524 2.030 10 20 JECD C[C@@]1(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CCN(C(=O)OCc2ccccc2)C1 1846250370 RJSXKBMEAFOGJV-RUZDIDTESA-N 494.548 2.359 10 20 JECD CN1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1847575589 ZAVRVXSUCYZNJC-WZYRSQIMSA-N 499.656 2.391 10 20 JECD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 729285497 FAQPRXPOEFDXFC-LZJOCLMNSA-N 467.549 2.344 10 20 JECD Cc1ccc(OCC(=O)N2CCN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)cc1 749012053 YBCAZUKXUYRCFS-JOCHJYFZSA-N 493.608 2.130 10 20 JECD CC[C@@H]1CO[C@@H](C)CN1CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 777653056 QTQXMVGVDLKQCM-NWYKZCAJSA-N 477.608 2.232 10 20 JECD Cc1cc(C(=O)CN2CCC(C(=O)NCC(C)C)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 890458704 AJKVZFRRVDTPCX-UHFFFAOYSA-N 474.627 2.408 10 20 JECD Cc1cccc(C(=O)OCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)n1 905935686 LAIONKPHIBSIGZ-ZDLGFXPLSA-N 485.543 2.293 10 20 JECD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 916566239 UWNTZVDOPFZYOU-JOCHJYFZSA-N 488.610 2.197 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnc(CN4CCCC4=O)o3)cc2F)C[C@@H](C)O1 917165745 ZKYNZCARCRNMIQ-GASCZTMLSA-N 477.562 2.353 10 20 JECD Cc1cc(=O)c(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nn1-c1ccccc1F 917833859 ULXPQUSZPVNPIU-GOSISDBHSA-N 463.513 2.312 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)cc2F)C[C@@H](C)O1 918222362 VRRDLGBRVNKJLN-BGYRXZFFSA-N 475.609 2.279 10 20 JECD Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cn2)n1 918284609 KVBSGTONFOVIIU-UHFFFAOYSA-N 452.490 2.115 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(C(=O)Nc3nncs3)CC2)c1 919945470 IIVNCHOZBYUTDE-UHFFFAOYSA-N 459.572 2.129 10 20 JECD CCN1C(=O)C(=CN[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)C(=O)N(CC)C1=S 920980214 CYRJWCDMWUDFNT-OAHLLOKOSA-N 466.629 2.247 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc2ncccn2n1 1778978793 UNGGKGLIMSYNSH-WZONZLPQSA-N 485.928 2.235 10 20 JECD Cc1cc(Br)ccc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1781567865 PJCKSROTJWIHRI-NRFANRHFSA-N 476.327 2.321 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cccc3c1OCC3)CCO2 1782005484 JAOQBVJPNQQYSJ-HSZRJFAPSA-N 458.898 2.443 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccn1)C2 1783219873 GHEYLFWLTDXSCJ-YGFSBTMISA-N 453.495 2.039 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccn3cncc13)C2 1783222122 JBLJWXJDJRAWMO-YRHVXKOMSA-N 492.532 2.292 10 20 JECD CCOC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785510325 VVJNFVCNWYDDNO-QTOANSKZSA-N 496.516 2.137 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc2c(c1)C(=O)CC2 1790387285 LGKXSMHQGDDHIW-CLMZSQMUSA-N 492.528 2.239 10 20 JECD C[C@@H](Sc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792221413 XLJCYHSZXVEFHM-GLHCULJKSA-N 499.589 2.372 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ncc[nH]2)cc1 1803786504 CURDRBJJBCGHAG-BJWYYQGGSA-N 469.592 2.189 10 20 JECD CCOC(=O)N1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)CC1 1804126102 WTWBRWXJWNWETM-QGZGNFAASA-N 487.553 2.323 10 20 JECD CC(C)NCCC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1807322996 GGMXWFGGMUXZJV-NLFFAJNJSA-N 476.581 2.268 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cn3cc(F)ccc3n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996412 RPENGPJYAIDESO-QRQCRPRQSA-N 476.468 2.308 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)c(F)c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001736 WWBMBPCKMCSNIN-VFNWGFHPSA-N 452.442 2.366 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)[C@H]1CC=CCC1 1808150606 GFUFREHDJVMWGF-XAUMDUMWSA-N 458.609 2.304 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)on1 1808467967 LLNAWPQDLGRWOX-WZONZLPQSA-N 472.505 2.491 10 20 JECD C/C(=C/C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)C(=O)O 1811813699 VMEXXKCNZJPLEU-ZJWQKRDRSA-N 459.886 2.497 10 20 JECD C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1813068530 OORHDTHKFIDPCO-IUZBSBKLSA-N 491.928 2.082 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)n1ccnc1 1814161118 BSGOXFLHDRSEOQ-IZHQMGTDSA-N 477.521 2.375 10 20 JECD CNc1nsnc1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162919 ZCLNYNLQFXIFEJ-ZPASTWNFSA-N 496.549 2.125 10 20 JECD CC(=O)O[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)C(C)C 1817362050 PSEZTZULHUJHLG-BTYIYWSLSA-N 497.577 2.436 10 20 JECD Cn1cnc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)c1C(F)(F)F 1817628716 KLMOFMCJEHQRJW-SECBINFHSA-N 482.444 2.241 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2COc3ccccc3O2)[nH]n1)c1cc(O)nc(O)c1 1817843267 KEOJOWSPDORUFF-QAPCUYQASA-N 465.466 2.362 10 20 JECD COc1nc(C)ccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823499998 JIKKDPSJCGMBNR-HNNXBMFYSA-N 488.595 2.288 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3c(F)ccc(O)c3F)sc2C1 1823640217 JBOPXVGLVJJVHD-QMMMGPOBSA-N 498.558 2.213 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1823815528 IUSMUJSEUDGUKK-LLVKDONJSA-N 485.478 2.411 10 20 JECD CC(C)[C@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1824254887 XRCYXAJWYUXRCJ-GMAHTHKFSA-N 454.571 2.416 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccccc2=O)CC1 1827098964 PJPNILRMOQKSOD-MFUYTVRRSA-N 481.549 2.298 10 20 JECD COc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1 1827620008 GIQCGWIULVUBNG-JTQLQIEISA-N 494.595 2.377 10 20 JECD O=C(CCn1ccnn1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717393 DIDAQPFWAKBSAR-QFIPXVFZSA-N 477.569 2.081 10 20 JECD Cc1ccc(CCC(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cn1 1828240463 VJSQFDYYAHFGEO-CQSZACIVSA-N 489.648 2.252 10 20 JECD Cc1cncc(CCC(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1 1828240492 VXQAQBROTVGDBI-AWEZNQCLSA-N 489.648 2.252 10 20 JECD CCC[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)CC1 1836419580 MZSWKPBVRGCPGC-QZTZHPFYSA-N 461.559 2.169 10 20 JECD CCc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)s1 1837724040 HFXAYCZOPDQXTA-NRFANRHFSA-N 481.958 2.154 10 20 JECD O=C(Cc1ccccn1)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837975745 JVJXRZNGIHPYNO-UHFFFAOYSA-N 489.576 2.416 10 20 JECD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1F 1838916625 CDKPJQDNOABTRT-PIITYICYSA-N 486.496 2.034 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)s3)C2)C1 1840880283 HHRGRBNYMYMZOR-KSBKHAFUSA-N 494.953 2.302 10 20 JECD COc1c(Cl)ccnc1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442619 QHHINVCSQBTQSM-UHFFFAOYSA-N 467.913 2.354 10 20 JECD COC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251508 DHVSPHFDVVRXCA-AEFFLSMTSA-N 491.585 2.020 10 20 JECD C[C@@H]1CN(CCNC(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)CCO1 725720739 JVJZKAVVWVKEHU-BVTUPMQUSA-N 484.441 2.487 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCCNC(=O)c3ccccc3Cl)CC2)cc1 742940369 RFQKRIVHPYJESD-UHFFFAOYSA-N 459.978 2.200 10 20 JECD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1 746812708 JIRGQPLWXXRIAN-UHFFFAOYSA-N 475.611 2.283 10 20 JECD CN(C)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1F 746978511 URVUYEFNUXNCRI-UHFFFAOYSA-N 456.490 2.386 10 20 JECD Cn1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nnc1[C@@H]1CCS(=O)(=O)C1 792057370 MHRQYLIIKAIXDW-CYBMUJFWSA-N 496.570 2.223 10 20 JECD Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c(C)n1-c1ccccc1 912685206 YGIXRSDADOLPKV-UHFFFAOYSA-N 495.557 2.254 10 20 JECD COc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCSCC3)cc2)cc1OC 917384423 XBIRWJGRLTZQMT-UHFFFAOYSA-N 479.624 2.242 10 20 JECD COc1ccc(C(=O)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1[N+](=O)[O-] 918140726 OQHXXKPXCNHSGA-GJZGRUSLSA-N 474.489 2.402 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 918337424 JVQOGYWPAJFFAD-JOCHJYFZSA-N 469.607 2.019 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 920677060 ADWDGRCKJCMDOM-MMIRBSHRSA-N 492.576 2.058 10 20 JECD COCCN1C(=O)/C(=C/Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)C(=O)NC1=S 920979075 TVFLMKNCSAABDA-JZBMNUFDSA-N 452.536 2.363 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1n[nH]c2c1CCCC2 1777878227 KMFLCTUGFUEPLC-WNEWMZQESA-N 496.564 2.246 10 20 JECD C[C@@H](Cc1ccccc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1782365602 LREZZHFCAZDFAJ-WVFSIPRWSA-N 453.539 2.499 10 20 JECD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1)c1ccc(Cl)cc1 1785539005 DDXBIBJPIZGTEY-QKKBWIMNSA-N 482.027 2.134 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3cc4ncccn4n3)CCC2)cc1 1792315138 IEOMJNGXBBEJNN-UHFFFAOYSA-N 480.575 2.337 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@@H]1CC(c2ccccc2)=NO1 1793281098 XZRWDWKZRVLIFH-GQSCTRQFSA-N 485.924 2.148 10 20 JECD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)s1 1794332811 JQAFXKBMBIDOHV-DPIQGUFMSA-N 452.916 2.338 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@@H](O)Cc1ccccc1 1796935010 NECZNAXSMNXKNR-SQMWVJLWSA-N 460.534 2.021 10 20 JECD Cn1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)c1=O 1803835984 SHSGVXRHNOFUQM-FOIQADDNSA-N 482.924 2.478 10 20 JECD C[C@H]1[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)CCN1C(=O)OC(C)(C)C 1804630953 BHICCRJETXPHIA-XEIOYGOASA-N 474.558 2.390 10 20 JECD O=C(CCN1CCCCC1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1806653325 XPVNMNUGLHDFRN-WZONZLPQSA-N 453.543 2.083 10 20 JECD Cc1nc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)co1 1808467693 JKYPSWVLVLTANN-MBSDFSHPSA-N 472.505 2.491 10 20 JECD Cc1nc[nH]c1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808468817 YWZMKVVGMMMAJF-FDDCHVKYSA-N 471.521 2.226 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 1809259501 OUEGCMQQPCYESK-UHFFFAOYSA-N 463.600 2.460 10 20 JECD CC(C)(C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccn1 1813282996 GWNYQJRVYWALGA-UTKZUKDTSA-N 497.646 2.321 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)/C=C/c2ccco2)[C@H]1c1cccnc1 1814186241 YRGUYNYVFDUOTG-OFGRBQKGSA-N 470.576 2.254 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720389 PRGWJOVBMPOXOM-TZMCWYRMSA-N 489.554 2.185 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3nccc4[nH]ccc34)sc2C1)c1cc(O)nc(O)c1 1816845958 JYZGOTXAJKBFHR-NSHDSACASA-N 450.480 2.365 10 20 JECD CCN(C)[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361672 BOJFCOBNWHZDGC-LSDHHAIUSA-N 468.583 2.188 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccon1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817362445 PUPZEPCUVDPMNM-GFCCVEGCSA-N 450.480 2.150 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@H]1Cc2ccccc2O1 1818906441 HDUWNAANLRGVKK-NVXWUHKLSA-N 485.591 2.266 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)Cn2cnnn2)CC3)cc1 1823439432 HJBSTHJRXIYJOO-QGZVFWFLSA-N 476.566 2.463 10 20 JECD C[C@H](CC(N)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830738964 ZBRTUEDVAJKCSR-CXAGYDPISA-N 451.951 2.496 10 20 JECD Cn1ccc(=O)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832875850 CFVQPULJKHJPIW-CPSHHHPTSA-N 481.549 2.449 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)s1)CCO2 1833219054 QYTGFLNGIHPGRT-HXUWFJFHSA-N 470.906 2.336 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3c(F)cccc3F)CC2)CC1)c1cc(O)nc(O)c1 1834988922 UAGBHVWLNLNQSR-UHFFFAOYSA-N 460.481 2.270 10 20 JECD O=C(CCC1CCC1)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1836798786 VYVJHKRPMBUZBA-UHFFFAOYSA-N 467.657 2.426 10 20 JECD CO[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)c1ccccc1 1839431675 HMBLVZYTOJUTBK-QPPBQGQZSA-N 490.940 2.209 10 20 JECD Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1839715819 YPMXEQNTEMSEAI-HHHXNRCGSA-N 491.592 2.369 10 20 JECD Cc1nc2sccn2c1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1844132002 HJBSWFYJNQDLTO-GQCTYLIASA-N 454.508 2.351 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1844256267 RTJBVXGIFXCNGJ-FNORWQNLSA-N 465.506 2.050 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)c1 729063103 YCQXOKPFXPJBSH-HNNXBMFYSA-N 457.552 2.335 10 20 JECD CCOc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1S(=O)(=O)N(CC)CC 915732147 WBDHBXLGVIHYGC-UHFFFAOYSA-N 476.599 2.437 10 20 JECD CCN(CC)c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 916674195 RQTTVHHSYVTRID-LJQANCHMSA-N 494.639 2.320 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)cc2F)C[C@@H](C)O1 918288085 TUILUNSHPUDPLC-QZTJIDSGSA-N 498.555 2.167 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 918439684 MLCNUSZALYSKKT-UHFFFAOYSA-N 474.608 2.035 10 20 JECD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCc3ccc(N4CCCC4)cc3)CC2)c1 919813352 SEGVGWXGIJXWRG-UHFFFAOYSA-N 456.612 2.363 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccccc1CN1CCOCC1)c1ccc(N2CCOCC2)cc1 920925297 JEXGVXDQMVDMDO-IBGZPJMESA-N 452.555 2.171 10 20 JECD C[C@H](Cc1ccccc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777850999 QNIAJTQWZWYXPT-FLPMJASOSA-N 453.539 2.499 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)cc1 1781755033 DULVAPQFSMJHRW-DEOSSOPVSA-N 471.579 2.355 10 20 JECD O=C(Cc1ccc(F)cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1787034551 SJKIQUCEYQMRIE-UVIMBBFXSA-N 463.893 2.121 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCCCC4)cc3)C[C@@H]21)c1cc(O)nc(O)c1 1787294411 OOBIRCOATKRJOV-NYVOZVTQSA-N 480.565 2.390 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3ccc(O)nc3)CCC2)cc1 1792314882 CTRINFQFZIXVBM-UHFFFAOYSA-N 456.549 2.395 10 20 JECD Cc1ccccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796480642 BSUQMHRULVUHSI-VSVJTWGKSA-N 474.561 2.310 10 20 JECD CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1797678018 LECSHUXRNUIWFY-UUAJXVIYSA-N 478.521 2.092 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(C)CCCN1 1800003928 NABSGYZUCDUQRD-ADSXRGQNSA-N 499.656 2.485 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc3c2OCC3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995272 FWRUSZAXJUXVGX-VGOFRKELSA-N 460.490 2.456 10 20 JECD COc1ccccc1CC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807998476 KBNIUDRJEIWEHX-HOYKHHGWSA-N 462.506 2.459 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1808331554 PHXBULJQTNJCCL-MBSDFSHPSA-N 489.532 2.463 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811796036 BHYPXMJLDQHXBW-MOXGXCLJSA-N 474.945 2.381 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1cccnc1 1814164251 WKDXFYCTNMFNIC-HUBAVIMESA-N 493.476 2.468 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c(C)n1C 1814190084 QCYQNTYVTBSKEC-LAUBAEHRSA-N 485.635 2.217 10 20 JECD O=C(CCC(F)(F)F)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1814441215 BQHOFDKBRYXYEX-MRVPVSSYSA-N 466.532 2.258 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)C(=O)c2ccccc2)[nH]n1 1823497322 VMTQMRXXPMVBSM-OAHLLOKOSA-N 471.564 2.145 10 20 JECD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)COC1 1823872908 WZZNSWBZVJYXCD-OAQYLSRUSA-N 452.555 2.436 10 20 JECD O=C(c1ccc(N2CCOCC2)cn1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827426889 MGNRGILUEBBGES-JOCHJYFZSA-N 495.580 2.272 10 20 JECD C[C@H](Cn1cncn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716666 UDONLEUCVCLCOH-XXBNENTESA-N 491.596 2.327 10 20 JECD CCOc1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)cn1 1828195293 KXRIOXWGQCBJTR-FLUIGGAXSA-N 497.533 2.388 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898582 QEJATVIHJUKXOC-VQIMIIECSA-N 489.667 2.362 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(C(F)(F)F)ccn3)CC2)CC1)c1cc(O)nc(O)c1 1834988673 BYXAOVQYDXORIS-UHFFFAOYSA-N 493.486 2.406 10 20 JECD Cc1cc(C)n(CC(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)n1 1837179937 ABRLMTUWUVDSPQ-GQCTYLIASA-N 498.580 2.329 10 20 JECD O=C(CCOc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431584 AIHKKTPKYJGVGH-XMMPIXPASA-N 490.940 2.290 10 20 JECD O=C1Nc2ccccc2/C1=C/C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1844210011 HIUKWHWOYWEISM-ULPTZDRWSA-N 461.474 2.056 10 20 JECD C[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)cc1 115948920 NLCIDPPIWDCZLE-QGZVFWFLSA-N 460.552 2.336 10 20 JECD O=C(Nc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1)C1=S=CC=C1 501764132 HLKUGQASDXSTET-UHFFFAOYSA-N 477.589 2.237 10 20 JECD Cc1cc(C(=O)CSc2nnc(CN3CCCC3=O)o2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 767085685 BOUNIMQMPVTIOC-UHFFFAOYSA-N 489.579 2.222 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCN(C(=O)c4ccc(Cl)cc4)CC3)CC2)cc1 897625117 DPHXUSDSUYZCGD-UHFFFAOYSA-N 456.974 2.455 10 20 JECD CN1CCN(C(=O)c2ccccc2NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 916677147 BKKOWBISQCFAQO-UHFFFAOYSA-N 469.561 2.496 10 20 JECD COc1ccc(N2CCCN(CC(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 917090076 ZOBBSWVAMNDCDE-HXUWFJFHSA-N 477.652 2.485 10 20 JECD CC(=O)N[C@H](C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C1CCCC1 918922348 HZDJABSGTLNEAR-PXAQALGRSA-N 463.550 2.294 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H]2CCCCN2S(C)(=O)=O)c(C)n1-c1ccc2c(c1)OCCO2 919246952 JONUDRGZGPWTKZ-LJQANCHMSA-N 476.551 2.405 10 20 JECD O=C(CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NCc1ccccc1 919785230 WDTLLSYZIKBNQO-UHFFFAOYSA-N 477.544 2.058 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1I 920196349 QKOYVKRCVMDUMO-UHFFFAOYSA-N 465.291 2.383 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccc(N2CCOCC2)cc1 920924484 CINWHJUQRZSFOV-JTSKRJEESA-N 466.538 2.457 10 20 JECD CC(C)CN1C(=O)/C(=C/Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)NC1=S 920974889 WWZYVOYMMLJVRV-SFQUDFHCSA-N 450.586 2.056 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3cc4sccc4s3)C2)C1 1778461969 URSGCYFTDASOHF-LJQANCHMSA-N 481.646 2.267 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1cccc2cc[nH]c12 1778718366 XWYHKHQFHXBWMW-UZUQRXQVSA-N 486.619 2.156 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C2)C1 1783814632 YVQNNIWCSBWYNI-WFOZPDITSA-N 464.518 2.450 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccccc2)CC1 1792523093 NGNDKNAFUXDCGT-NHKMSHSESA-N 472.545 2.101 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1c[nH]c(-c2ccc(F)cc2)c1 1794437101 JDDYLRTUEDKQFQ-FAQVEIGNSA-N 466.469 2.144 10 20 JECD CC(=O)Nc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)ccn1 1797246148 BWUNZTCBBFPVSX-FNLKRUPLSA-N 474.521 2.085 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc(O)n2c1CCCC2 1798661933 NOMOAJPZGUPLJT-BEVBHUTCSA-N 468.510 2.007 10 20 JECD Cc1nc2sccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799769547 XJYQIDCOOZPHQU-YWVIFJGQSA-N 476.942 2.286 10 20 JECD Cc1ccc(OCCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1 1802077491 IPJXNLKEHPPNLD-PTOUOFRTSA-N 482.533 2.184 10 20 JECD Cc1noc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)n1 1807530199 WIUVPMAODMQRJR-VBKZILBWSA-N 471.901 2.400 10 20 JECD Cn1cnc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1C(F)(F)F 1807993025 FZKONBMLRNLEJK-UGSOOPFHSA-N 490.442 2.274 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)CC1 1807994340 UMQHYIZLTDQATN-MUUPZMKNSA-N 482.537 2.187 10 20 JECD Cc1nc2ccccn2c1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807995150 CTTWAAHLPNAVSF-GAJHUEQPSA-N 472.505 2.477 10 20 JECD CC(C)(C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccn1 1813282997 GWNYQJRVYWALGA-UWJYYQICSA-N 497.646 2.321 10 20 JECD O=C(Cc1ccc(O)cn1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813501181 WBFKEEYMAXEGBK-NIYFSFCBSA-N 498.543 2.224 10 20 JECD Cc1ncoc1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364829 ZYQYOQOTNSTYIB-CYBMUJFWSA-N 464.507 2.458 10 20 JECD CN(C)c1cncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)c1 1817843909 HSNYIRMYXCGJED-KRWDZBQOSA-N 451.487 2.297 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)[nH]n1)c1cc(O)nc(O)c1 1817847126 MCAZBNJILCBQBZ-DZQNVJDRSA-N 488.504 2.432 10 20 JECD Cc1cc(C)n2ncc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cc(O)nc(O)c3)CC4)c2n1 1818240459 VZYYRCNRDGWEPF-CYBMUJFWSA-N 479.522 2.148 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCOCC2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821293777 PGIDVEULYPYOEU-MRXNPFEDSA-N 463.922 2.112 10 20 JECD Cc1ncc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)s1 1823500964 KFOPKIOJFZYYAT-AWEZNQCLSA-N 478.625 2.270 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1cccc(F)c1F)CC2 1828249457 HSACSXSWSXSQIY-NSHDSACASA-N 496.586 2.436 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccoc3C1)CCO2 1830938216 WCCCJZPSKWJUOB-GYCJOSAFSA-N 490.940 2.219 10 20 JECD CC(=O)C[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1831805420 VTSFYVHGYRFUSY-WMLDXEAASA-N 453.630 2.082 10 20 JECD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)n1ccnc1 1833379213 OBVPBTKSBNTALC-HNNXBMFYSA-N 475.977 2.394 10 20 JECD CC[C@H](C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1836891318 GBUOGUPQWDDDTQ-WAQKVGIPSA-N 476.570 2.222 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1Cl)CCO2 1837891614 YBAXIOYGRNHRTC-OAQYLSRUSA-N 482.320 2.183 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@]2(C)CCCN2)CCO3)cc1 1839122735 AWRJEVOYUFHXAS-SXOMAYOGSA-N 480.609 2.306 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn(C)c4)C3)C2)cc1 1839348698 HCTVSQLJHPLMMJ-AREMUKBSSA-N 477.565 2.211 10 20 JECD O=C(Cc1ccc(OC(F)(F)F)cc1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249778 YSUKVTMVLZGUIY-UHFFFAOYSA-N 451.401 2.451 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccc(OCC3CC3)cc2F)C1 1845271777 OOULZUKIJMYXPX-UHFFFAOYSA-N 477.583 2.292 10 20 JECD O=C1CSc2cc(C(=O)N3CC4(CCCN4C(=O)/C=C/c4ccc(O)c(O)c4O)C3)ccc2N1 1847038550 DAHVOEKXRYRWBS-QPJJXVBHSA-N 481.530 2.378 10 20 JECD CCOC(=O)CSCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 15403134 GUVSOOQVOAFIEV-OVCLIPMQSA-N 468.578 2.029 10 20 JECD Cc1ccnc(NC(=O)CN(C)CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1 728927416 CETVMUPSFKCAJA-UHFFFAOYSA-N 469.567 2.198 10 20 JECD Cc1cccc(N2C(=O)N[C@@H](CCC(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)C2=O)c1 730870688 VZSHTWTVXNABPI-NRFANRHFSA-N 466.538 2.468 10 20 JECD CCN(CC)c1ccc(CNC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1F 731364360 XYEPATCDWKIWHZ-UHFFFAOYSA-N 463.579 2.351 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Cc3c(C)nn(-c4nc(C)cc(C)n4)c3C)CC2)cc1 742921781 ZPYJBCLTWHPDID-UHFFFAOYSA-N 477.613 2.385 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OCC(=O)O)c(Cl)c2)cc1OC 748691857 WRXIZBKHHWSSKP-UHFFFAOYSA-N 478.932 2.374 10 20 JECD O=C(CSc1nncs1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 748851928 DPRVDTSNCUMDOZ-MLPAPPSSSA-N 466.591 2.377 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 749733667 XCQAOZIPCZJDCC-NRFANRHFSA-N 469.513 2.437 10 20 JECD CC(=O)N1CCN(c2ccc(CNC(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)cc2)CC1 857494106 IWMRYKGLYWNKSJ-UHFFFAOYSA-N 473.459 2.280 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 918308252 IRLKKKPBOXJSPR-UHFFFAOYSA-N 450.539 2.356 10 20 JECD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918373365 WVJKUYSHAGGJEH-GOSISDBHSA-N 470.595 2.067 10 20 JECD C[C@H]1Oc2ccccc2N(CCC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1=O 918922192 YAFOYGRWTNPTRT-QGZVFWFLSA-N 485.512 2.026 10 20 JECD C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)c1ccc(N2CCOCC2)cc1 920890249 RJAXINONZJLHQL-GCJKJVERSA-N 473.595 2.472 10 20 JECD C[C@@H]1C[C@]1(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1780621582 KQBSXVOETJTEGC-HWKVCKQJSA-N 452.555 2.339 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)cc1F)C2 1783221839 MVNXKCBAQXDQQN-XYUUTWJASA-N 486.496 2.489 10 20 JECD COc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)ccc1O 1783221953 VCGCFSKERHZBSE-KJMHIALPSA-N 498.532 2.359 10 20 JECD O=C(CCc1cnccc1C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1785181353 BJXNBMNSHLRYQF-ZVZYQTTQSA-N 494.470 2.133 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccc4occc34)C[C@@H]21 1792219025 HFQMGOREDYOYSM-STHFDKQOSA-N 479.489 2.251 10 20 JECD CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1795606804 WSISWGYFLNBFRD-RDGPPVDQSA-N 491.585 2.208 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc2ccccc2o1 1796966913 GZQSCYLNOXIGAB-MRSFGVLCSA-N 472.501 2.429 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799767966 GITCOXBYPVQVKK-DBWKPXFBSA-N 491.884 2.190 10 20 JECD CCOc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)cc1OC 1802117242 HHXSQMJXYVGJBS-BCDXTJNWSA-N 455.511 2.395 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)C=CC2=O)cc1 1802541508 FNOXTFNWWPYROV-QQFNCUIESA-N 460.534 2.271 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804186385 JRQIMAUHAGTCAQ-OPJGWUQDSA-N 487.560 2.264 10 20 JECD Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)cn1 1807003377 WMYMKKRKPRJWBN-UHFFFAOYSA-N 474.652 2.414 10 20 JECD Cc1nccn1CCCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807997854 FNSWRYMXQRWBOO-MBSDFSHPSA-N 464.526 2.193 10 20 JECD O=C(CC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)Nc1ccc(F)cc1 1807999854 NJJOAECMTMQVGN-UPCLLVRISA-N 493.495 2.375 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2c(c1)OCCO2 1808993149 KIAJPBYNSRCTEA-UZUQRXQVSA-N 476.489 2.292 10 20 JECD O=Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)s1 1809990466 CIIMPEZLFCHXHG-UHFFFAOYSA-N 465.622 2.266 10 20 JECD CC[C@H](C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162359 RITDTWINWNRHKA-SLPTZODVSA-N 469.538 2.325 10 20 JECD CC(C)c1nc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)co1 1814184607 BVXBZNGTWIDFRL-KXBFYZLASA-N 487.607 2.373 10 20 JECD Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)nc1C 1814186463 PLHHGVMQRKUBRY-UTKZUKDTSA-N 483.619 2.273 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2nc3ccccc3o2)[C@@H]1c1cccnc1 1814190296 WESYPWPVIVQBOB-MGPUTAFESA-N 495.586 2.403 10 20 JECD COc1nccnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1816157812 YHLHWMJRMLYCKK-SFHVURJKSA-N 488.508 2.307 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccn(C(F)F)c1=O)CC2)c1cc(O)nc(O)c1 1816726331 SSBFNCZWBPQHBJ-SNVBAGLBSA-N 477.449 2.046 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(-n3cncn3)c2)[nH]n1)c1cc(O)nc(O)c1 1817847195 NZALLNCTSCBIKH-SFHVURJKSA-N 474.481 2.416 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cccn4ccnc34)sc2C1)c1cc(O)nc(O)c1 1819154305 BIVDQVWTHWQJEU-GFCCVEGCSA-N 450.480 2.137 10 20 JECD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821290903 DXWWAFHDRWJUPO-ABAIWWIYSA-N 499.977 2.108 10 20 JECD Cn1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)c1=O 1824716910 VDUFDJAEEMDSRQ-QHCPKHFHSA-N 489.576 2.412 10 20 JECD N=C(N)SCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1826788354 KNLDPBGSGDQZCD-YERXGYGTSA-N 462.572 2.063 10 20 JECD O=C(c1cnc2ncccn12)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427722 QXWYBBSYNSWHBM-QGZVFWFLSA-N 450.499 2.083 10 20 JECD CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1827982004 BIYSGHMIISVUAL-STQMWFEESA-N 491.570 2.478 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)COc1ccc(F)cc1)CC2 1828242945 XHDCNLPZDTYLBQ-GFCCVEGCSA-N 494.595 2.134 10 20 JECD O=C(c1cc2n(n1)CCCC2)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901109 BWJZMQFEJYCGKJ-IBGZPJMESA-N 489.667 2.313 10 20 JECD Cc1cc(C)nc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834936482 BTRYEXBJODQQLS-UHFFFAOYSA-N 453.543 2.004 10 20 JECD CC[S@@](=O)CCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1835656623 LNUUGQUIKIASSR-JGCGQSQUSA-N 486.034 2.095 10 20 JECD COc1nc(C)ccc1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838029904 OOUYZXIXBPLMFI-UHFFFAOYSA-N 470.526 2.131 10 20 JECD C[C@H](C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1)N1CSCSC1 1843441586 HOKVGCXWXKZUNU-MRXNPFEDSA-N 473.624 2.026 10 20 JECD CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(O)nc(O)c2)CC1 1847947781 HCQDWHWBYATLHS-DKIMLUQUSA-N 474.558 2.392 10 20 JECD COc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c(O)c1 24853375 JZDSPZQDEJXYOW-UHFFFAOYSA-N 458.492 2.495 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 104996501 JCAMBPXGTYOVER-HHHXNRCGSA-N 490.560 2.396 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)nc12 726203721 XPTSCAZSSDVGJU-OAHLLOKOSA-N 492.492 2.084 10 20 JECD CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726600386 GOGJSQJBAAVKSW-UHFFFAOYSA-N 475.539 2.143 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cc(F)c(S(C)(=O)=O)c(F)c3)cc2F)C[C@@H](C)O1 727613050 XBSABBSBXIIKFJ-CHWSQXEVSA-N 499.511 2.376 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N[C@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 743363933 XQKUYJXVOZBZFP-LJQANCHMSA-N 489.642 2.128 10 20 JECD CC[C@H](C)[C@H](NC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)OC 747880258 DGSHEUYBYXULFD-BUXKBTBVSA-N 482.445 2.231 10 20 JECD Cc1cc(C(=O)[C@H](C)OC(=O)Cn2cc(S(N)(=O)=O)cn2)c(C)n1-c1ccc(OC(F)F)cc1 748428381 OZYUGEGTBRRBPP-AWEZNQCLSA-N 496.492 2.354 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2)C1 918029544 BAXCWVZRGCBQML-LJQANCHMSA-N 465.554 2.182 10 20 JECD O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918296688 YQTDAHMOIZFSDR-FQEVSTJZSA-N 473.551 2.078 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H](C)NC(=O)C(C)(C)C)cc2F)C[C@@H](C)O1 918890232 LGLLSDJBSCJKRO-BZUAXINKSA-N 451.539 2.150 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCNc3ccccc3[N+](=O)[O-])CC2)cc1 920253226 VCKRQISNGCPUHE-KHPPLWFESA-N 453.499 2.037 10 20 JECD Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O 920637489 HGQJOUVZKQMNCK-UHFFFAOYSA-N 458.496 2.362 10 20 JECD COCCN1C(=O)/C(=C/Nc2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)C(=O)NC1=S 920980141 YTJQUJCGESNGNT-SFQUDFHCSA-N 492.554 2.120 10 20 JECD Cc1cc[nH]c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778126160 IPHKADQFSWMINA-CJFMBICVSA-N 463.538 2.244 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H]1CCOC1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127716 VIEVFFLHYQKPII-IATMXGELSA-N 482.581 2.110 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)C3=NO[C@@H](c4ccccc4)C3)C2)C1 1778173245 BXVRQBLMCYUFOA-SNTDARCBSA-N 493.516 2.164 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1[nH]cc2c1CCC2 1780011082 GXSOWCJBNWKAKQ-LEKYLPEBSA-N 481.549 2.461 10 20 JECD CCOc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1780853379 FTANUEAEUSBHGQ-CFSVISAESA-N 468.506 2.359 10 20 JECD COc1c(Br)cccc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1781577100 WLJMOWFUQKSAJS-NRFANRHFSA-N 492.326 2.021 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3cccnc13)C2 1783248193 QFUGTFICFJVDSR-HOYKHHGWSA-N 498.630 2.223 10 20 JECD COc1cnc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)cn1 1787563158 YASIDLYQZHTWPK-UHFFFAOYSA-N 471.564 2.093 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3cc4ncccn4n3)cc2)CCC1 1789261136 NUAXPVCMYUHWPA-UHFFFAOYSA-N 480.575 2.337 10 20 JECD CCc1ncsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1789410395 XNJAJSZHOKXHIH-JYCWIHKJSA-N 473.551 2.129 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC1(c2ccc(NC(=O)Cn3ccncc3=O)cc2)CCC1 1791048235 UROBGYGAXCMXNX-YCRREMRBSA-N 476.489 2.208 10 20 JECD Cc1cc(Cl)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)c1 1791966716 OCTPWRYFJIMYKS-JQFCIGGWSA-N 482.027 2.102 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ncc(Cl)cn1 1796932559 JMKHPUCHOSAIBB-ACHSLPGTSA-N 452.902 2.175 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1797715993 HJINGAJSJXDHON-VYMNDLDVSA-N 487.553 2.322 10 20 JECD Cc1ccc(C(=O)NCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)cc1 1804291745 UQNVMLURRCJRCS-LDEDEHCMSA-N 479.533 2.193 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CS[C@H]2CCCCO2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994257 FFUSQCGQNXEKGQ-WQTXXOFMSA-N 472.567 2.467 10 20 JECD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n[nH]1 1808468363 PVNCDWAENZQLOK-DFBJGRDBSA-N 485.548 2.155 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(CO)o2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469556 PHGNDVQSEVDYBN-KOSHJBKYSA-N 487.516 2.279 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cncc2cnccc12 1811301501 XMWAUIKZUGWLCM-HJPURHCSSA-N 470.489 2.464 10 20 JECD Cc1nc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c(C)s1 1816721269 ILIHIYKNDVVCMN-LBPRGKRZSA-N 459.553 2.491 10 20 JECD COc1ccc(COCC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1 1816728143 KYPCKWOOUVHXOS-OAHLLOKOSA-N 484.534 2.401 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnn3ncccc13)CC2 1828199151 MUPZTPQKTNYHEV-FLUIGGAXSA-N 492.517 2.242 10 20 JECD CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCN2C(=O)OCc1ccccc1 1829037338 CSAUNCQKXSXUKG-VWLOTQADSA-N 482.537 2.359 10 20 JECD O=C([C@@H]1Cc2ccccc2O1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902830 YVPFFVRTEGQHMY-QUCCMNQESA-N 487.647 2.470 10 20 JECD O=C(Cc1cccc(F)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835025269 SEGNJWRVWNIXQG-HSZRJFAPSA-N 478.904 2.203 10 20 JECD CCOc1cccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1836326135 YRTCZAHZPJKCMW-UHFFFAOYSA-N 468.554 2.391 10 20 JECD CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)CCC1 1836736927 LPVZXRHVWHFCTG-JOCHJYFZSA-N 452.935 2.402 10 20 JECD C[C@H](Cc1ccco1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433324 RJFOEOOFEBPRCC-CMJOXMDJSA-N 478.929 2.293 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)C3CC4(CCC4)C3)C2)C1 1839435324 HBYKEAAXABASGP-HSZRJFAPSA-N 464.946 2.402 10 20 JECD O=C1Nc2ccc(C(=O)N3CC4(CCCN4C(=O)c4cc(O)nc(O)c4)C3)cc2[C@H]1C1CCOCC1 1843249471 NRRNNTXKQJZBEC-JOCHJYFZSA-N 492.532 2.086 10 20 JECD CC(C)(C)OC(=O)N1CCCC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)C1 1847165219 OJHGESFDWYXCIV-MRXNPFEDSA-N 474.558 2.347 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)Cn3nnc4ccccc4c3=O)c2C)cc1 16258699 FWGLKGYHIUKBQH-UHFFFAOYSA-N 474.473 2.412 10 20 JECD NS(=O)(=O)c1ccc(CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726700466 ASHVCEWGMVIKBF-UHFFFAOYSA-N 468.526 2.446 10 20 JECD C[C@@H](NCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1cccnc1 781174584 GCROVNAUNHJWRV-SAGYFLTASA-N 470.576 2.479 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3nn(-c4ccccc4F)c(C)cc3=O)CC2)cc1 792036119 QHVZCWDLZNHDFI-UHFFFAOYSA-N 480.496 2.194 10 20 JECD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCCNS(=O)(=O)Cc1ccccc1)c2[N+](=O)[O-] 915181672 CTXMJTZHUROHOC-UHFFFAOYSA-N 493.497 2.220 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)cc2F)C[C@@H](C)O1 919084543 GESXKWDJZYLIPT-NUJGCVRESA-N 463.550 2.246 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CN(C)C(=O)c3cccs3)cc2F)C[C@H](C)O1 919088780 SZFKCXLYSKQHBX-HOTGVXAUSA-N 477.558 2.432 10 20 JECD C[C@H]1CN(c2ccc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cn2)C[C@H](C)O1 919100644 NVQRJXYUORFGOR-ROUUACIJSA-N 486.544 2.144 10 20 JECD CCOC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919785418 XYMXGCPVXKBWPI-IBGZPJMESA-N 485.564 2.362 10 20 JECD Cc1cc(C(=O)COC(=O)CNC(=O)CC(C)(C)C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 920544041 CNCHXAOFPOTVLU-UHFFFAOYSA-N 463.556 2.020 10 20 JECD CCOC(=O)c1c(N/C=C2\C(=O)NC(=S)N(CCOC)C2=O)sc2c1CCCS2 920978621 AGPIJIFQXCTREW-PKNBQFBNSA-N 455.583 2.149 10 20 JECD Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1779684669 YNIHBMLNUTVCBP-DEOSSOPVSA-N 497.939 2.304 10 20 JECD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(O)c1OC 1782007616 IMFVCTHJBOEHJP-QHCPKHFHSA-N 492.912 2.231 10 20 JECD COc1cc(C)c(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787294628 ZEVCDBPYXNLUEG-QSFXBCCZSA-N 455.511 2.025 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@@H]1Cc2ccccc2O1 1788188096 YIMGBVIFOOYKOR-ACRWPFGISA-N 472.925 2.348 10 20 JECD COC(=O)C12CCC(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(O)nc(O)c3)(CC1)CC2 1796600860 JZCMRXLTZNCSGH-BFZVAXDVSA-N 457.527 2.258 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnc3[nH]1)C2)c1cc(O)c(O)c(Cl)c1 1799769597 ZEQXWMJRPBYCPC-ZSBFGKGUSA-N 456.886 2.145 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3[nH]ccc3s1)C2 1802079522 HBTGMBWWEXFIIX-JOTXDYOYSA-N 469.519 2.263 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cnccn1 1805435152 FKVWKJPKDOYBAY-NWWLCNQNSA-N 461.478 2.021 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)nn1C 1808464270 KGNZTYAGDWDODF-CYFREDJKSA-N 485.548 2.236 10 20 JECD Cc1ncoc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808468578 UPWZKHPLEWQQFG-GCJKJVERSA-N 472.505 2.491 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)nc2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469571 PMTXESLGMQYCCW-HOYKHHGWSA-N 484.516 2.295 10 20 JECD Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808470436 WQQJBKREDKUESR-FNZWTVRRSA-N 499.575 2.463 10 20 JECD CC(C)n1cnc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1808722225 SEHXJBPVCWIMNA-HQWUWBFJSA-N 492.536 2.404 10 20 JECD Cc1ncncc1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1810975867 ROGVJUNHUAPFCF-DPLQINJDSA-N 475.505 2.330 10 20 JECD Cc1cc(C)nc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1814189484 QPYQIQSWJSRRDR-DYESRHJHSA-N 483.619 2.273 10 20 JECD COC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1816808020 YLDAKGNFTXXOAU-PPYMECGQSA-N 458.471 2.185 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccncc1O)CC2)C1=NN(c2ccccc2)C(=O)C1 1817361994 OFIMZGLAESTRAI-CYBMUJFWSA-N 476.518 2.262 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(=O)oc1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817362904 YOUPFLTYIQMDAI-AWEZNQCLSA-N 477.502 2.115 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cnc2snnc2c1 1820151512 UNZYVDRHGAZSHD-CQSZACIVSA-N 466.483 2.235 10 20 JECD Cc1ncncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1820698220 CJJANNQAAIQKSQ-CQSZACIVSA-N 475.534 2.260 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(=O)n2O)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821290873 LMCKVHVOPYNQQD-AWEZNQCLSA-N 473.873 2.493 10 20 JECD Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)nc2nccn12 1821477955 QEXIOCRYPRKYCP-MRXNPFEDSA-N 462.470 2.187 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823500569 FXEZEZKNZUBJAL-XJKSGUPXSA-N 488.595 2.125 10 20 JECD CN(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715967 XGQNMRAHBUOBPX-JOCHJYFZSA-N 453.587 2.351 10 20 JECD Cc1cncc(CCC(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1 1828240494 VXQAQBROTVGDBI-CQSZACIVSA-N 489.648 2.252 10 20 JECD CS(=O)(=O)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830736659 GARYSODDXGIMSD-INIZCTEOSA-N 458.964 2.029 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1835723351 JDIFKJPIUPKSAU-XDHUDOTRSA-N 487.940 2.031 10 20 JECD CC(C)(C)n1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)n1 1837313336 XSPJLSYEVDMDIO-UHFFFAOYSA-N 471.558 2.370 10 20 JECD CCC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1839348208 HEWJCIBNONQERP-VWLOTQADSA-N 453.539 2.143 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348305 MBDLRTUIMNQXNY-KDYSTLNUSA-N 496.608 2.031 10 20 JECD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(C)c1 1839433753 SEPOAKVESOFAKI-XMMPIXPASA-N 490.940 2.452 10 20 JECD Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)n[nH]1 1843331282 FGJVOIDVRDLSMA-LJQANCHMSA-N 482.585 2.253 10 20 JECD CCOc1cccc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1O 1843442579 SZBNVVGNBVTIAS-UHFFFAOYSA-N 462.506 2.401 10 20 JECD O=C(COc1cccc2ccccc12)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056987 XLHPNZVDUOEMHM-UHFFFAOYSA-N 469.588 2.282 10 20 JECD O=C(COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)NC(=O)NC1CCCC1 10923866 ALCMWEYSTSIFQT-UHFFFAOYSA-N 465.418 2.295 10 20 JECD CC(C)[C@@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)N1CCOCC1 913224462 XOHXFSGZTNTHGE-JOCHJYFZSA-N 466.446 2.410 10 20 JECD Cc1cc(C(=O)COC(=O)c2cn(-c3ccccc3)nn2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 914946686 RKKNDGDVIMHYCS-UHFFFAOYSA-N 479.518 2.362 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CCc3c(C)nc4ccnn4c3C)CC2)cc1 917315885 CWEASMZUXLMTQN-UHFFFAOYSA-N 451.527 2.179 10 20 JECD O=C(CN1CCC[C@@H](C(=O)Nc2ccccn2)C1)NCc1ccc(N2CCOCC2)c(F)c1 917398599 ZNJKINMUABKVCY-LJQANCHMSA-N 455.534 2.024 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1sccc1S(=O)(=O)N1CCCC1 917709456 XLQYVGATHYSSDC-UHFFFAOYSA-N 453.561 2.438 10 20 JECD C[C@H](CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)N1CCN(c2ccccc2)CC1 918007526 GANAPNBMEYGUDL-FYYLOGMGSA-N 478.641 2.398 10 20 JECD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 918137886 JUBIODTWVRJRSL-IBGZPJMESA-N 476.574 2.162 10 20 JECD CN1CCCN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2)CC1 918439151 TZOHPHYQLVNFKG-UHFFFAOYSA-N 483.588 2.184 10 20 JECD Cc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)s1 1251217032 LXOJTIFZZBYWDP-UHFFFAOYSA-N 468.558 2.358 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C(F)(F)F)ccn1)C2)c1cc(O)nc(O)c1 1777850845 KEVYTYDQYLZWPF-IIBYNOLFSA-N 480.443 2.348 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)C2)C1=NN(c2ccccc2)C(=O)C1 1778127641 ULKUOXOSIJOMEW-LUOSIZPJSA-N 480.590 2.168 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4cccn4)cc3)C2)C1 1781716333 CSWPGDXYYWFMLR-MHZLTWQESA-N 498.543 2.109 10 20 JECD O=C1CCc2ccc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)cc2N1 1782009085 QWEODLSOGNYVOH-XMMPIXPASA-N 485.924 2.393 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@@H](O)c1ccccc1 1786666324 KTQGNSVNQPWXSI-QHERXFFYSA-N 460.914 2.078 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1791494056 QILPHGSQLPXABT-MFTSGDHESA-N 481.549 2.070 10 20 JECD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)n(C)n1 1794344494 BGLXFLGXGNZOCZ-IRJINJETSA-N 477.565 2.353 10 20 JECD Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c(C(F)(F)F)n1 1799769429 KKJIFBHTQFNVLF-QHBPRCKVSA-N 488.850 2.021 10 20 JECD Cc1cc(C)n(CC(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n1 1804579329 LXCSWSWLVKPEDT-LVXARBLLSA-N 499.575 2.394 10 20 JECD CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811811053 YYMZYPWDXYLDJA-VHFSOBRXSA-N 472.929 2.087 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cnc(C(F)(F)F)cn3)sc2C1)c1cc(O)nc(O)c1 1816089116 ULYQARQMFBRAGU-VIFPVBQESA-N 480.428 2.298 10 20 JECD CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)C(=O)c1ccccc1 1817842511 CYNXMDSLVYECDS-SFHVURJKSA-N 478.509 2.294 10 20 JECD COc1ccc([C@H](O)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cc1 1817842544 FMLUFQFCYONWFB-UTKZUKDTSA-N 467.482 2.264 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2ccnc2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146384 FQEBTVSNCNEJTI-LJQANCHMSA-N 460.498 2.091 10 20 JECD CSCC[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1822431973 AJCKJFXMHBSTRQ-MOPGFXCFSA-N 484.582 2.309 10 20 JECD N[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)c1ccccn1 1826906057 CZCKXMKQAYFLNY-ZCYQVOJMSA-N 488.592 2.494 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3ccoc3c1)CC2 1828244624 LQNBDBMUARNQAZ-NSHDSACASA-N 487.588 2.370 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc(Cl)nc3F)CC2)CC1)c1cc(O)nc(O)c1 1834988027 KLQGMXMYXJPQSQ-UHFFFAOYSA-N 477.924 2.179 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccc(F)c4s3)C2)C1 1836418290 LXTHQMVVBKVOLO-QHCPKHFHSA-N 487.509 2.230 10 20 JECD CO/C=C(\C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838366207 RFHKUTVVZQWAQF-BANXSYMZSA-N 460.527 2.365 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cc4ccoc4cn3)C2)C1 1839433570 XXSTUWUCWBSKDD-HSZRJFAPSA-N 487.896 2.276 10 20 JECD C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccccc1 1840881131 DVFJPRBVLNPUSZ-OUIOLJNISA-N 496.560 2.467 10 20 JECD Cc1c(C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)cnn1C 1842520808 AOPJACFUAWULGL-OAQYLSRUSA-N 496.612 2.264 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2ccc(Br)cn2)C1 1844425657 XNZYUSYZXBLCSK-XVNBXDOJSA-N 474.311 2.491 10 20 JECD O=C(CCc1ccccc1Cl)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056352 BRHTUJAFSHIHPZ-UHFFFAOYSA-N 452.001 2.336 10 20 JECD O=C(COC(=O)C1CCCC1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 25459009 PYKOJIKMACZKBD-LICLKQGHSA-N 462.549 2.466 10 20 JECD Cc1cc(C(=O)COC(=O)CCNC(=O)C(C)(C)C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 25983216 LRQMAOGGDKVOPX-UHFFFAOYSA-N 463.556 2.020 10 20 JECD COc1ccc(N2CCC(NC(=O)c3ccc4c(c3)S(=O)(=O)N(C[C@@H]3CCCO3)C4=O)CC2)cc1 726562979 SZJDYRCORIDZHK-NRFANRHFSA-N 499.589 2.418 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CCc3c(C)nc4[nH]n(C)c(=O)c4c3C)CC2)cc1 729259211 KQPBLJUZIJNLBV-UHFFFAOYSA-N 480.613 2.148 10 20 JECD O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(N2CCOCC2)cc1 729338859 ZTWYBVDLPFTGBO-UHFFFAOYSA-N 457.474 2.137 10 20 JECD O=C(CNC(=O)OCc1ccccc1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 742361688 GRSQDLWTMLPGEU-UHFFFAOYSA-N 478.528 2.485 10 20 JECD COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)CC2)cc1 746981153 MDSYRSWZAQFXJZ-UHFFFAOYSA-N 458.584 2.294 10 20 JECD CN1CCCc2cc(CNC(=O)N3CCN(c4ccc(S(C)(=O)=O)cc4[N+](=O)[O-])CC3)ccc21 746983072 REXYCAWWIDJERO-UHFFFAOYSA-N 487.582 2.413 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(C(=O)N4CCCC4)CC3)cc2F)C[C@@H](C)O1 916975091 PBZPQVJAVZFAGI-KDURUIRLSA-N 460.594 2.390 10 20 JECD COC(=O)c1cc(S(N)(=O)=O)ccc1NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917086689 MLMFFABBDXGERE-ZIAGYGMSSA-N 451.520 2.485 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)cc2)C1 917834923 ULOSIWWMLHXRPE-OAQYLSRUSA-N 469.607 2.357 10 20 JECD CCCC(=O)N1CCC[C@@H]1C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917991805 UTGSMHPDQDIBSP-LLGFUMIMSA-N 463.550 2.390 10 20 JECD CCN1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c(C)c2)CC1 918441398 ZWTHIJZKOGIXQP-UHFFFAOYSA-N 497.615 2.492 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)nc12 918878078 SLWIXCQCKRYWFK-ZDUSSCGKSA-N 456.430 2.155 10 20 JECD Cc1ccn2c(=O)c(C(=O)OCC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cnc2c1 919152652 PHGHJEZRHFPQKY-IAGOWNOFSA-N 482.512 2.229 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(I)c1 920196067 JXJGFERYOZPKIB-UHFFFAOYSA-N 465.291 2.383 10 20 JECD O=C(COC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O)NCc1ccc(N2CCOCC2)c(F)c1 920571202 VXOQRIMZUYCPTJ-LJQANCHMSA-N 473.476 2.014 10 20 JECD COCCN1C(=O)/C(=C/Nc2cc(C)nn2-c2ccccc2C(F)(F)F)C(=O)NC1=S 920979623 FDOWOUBZSHUBIQ-ZRDIBKRKSA-N 453.446 2.385 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCS(=O)(=O)c3ccccc3)cc2F)C[C@H](C)O1 1318012119 GAXMPNXUFMNLPG-ROUUACIJSA-N 492.569 2.463 10 20 JECD C[Si](C)(C)c1cc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)co1 1778993970 FLGVUSWWKXRAPJ-VWLOTQADSA-N 494.624 2.061 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)CCO2 1782004316 VCRBKVPMTDSEFF-HYBUGGRVSA-N 485.924 2.388 10 20 JECD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc(C)c1C(=O)O 1782174539 XMLITBOLYRHBMY-JFAKYYBVSA-N 496.516 2.275 10 20 JECD C[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783246603 AZDCATDOOVSJRQ-RGZWJVDOSA-N 489.663 2.239 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccc([N+](=O)[O-])o1 1783363555 AEYCFDHIISCRCT-PKWAYOAASA-N 465.846 2.160 10 20 JECD COc1cscc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1787719355 YYFBMXZIONGGSR-KOSDZWPSSA-N 474.535 2.180 10 20 JECD COc1ccc2c(/C=C/C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)c[nH]c2c1 1788113001 GRJDFPQWZSIIPP-NVZXKRJNSA-N 492.532 2.289 10 20 JECD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc(C)c1C(=O)O 1799874214 SLEODQKXNBVZKL-OFZGJKQNSA-N 496.516 2.035 10 20 JECD CS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)c1 1804282737 BYZKGZDGJIQCPB-GFPDGJBOSA-N 486.546 2.172 10 20 JECD O=C1Cc2cc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)ccc2N1 1807995916 LAHLHMKFXJVGTH-MWTRTKDXSA-N 473.489 2.016 10 20 JECD O=C(COc1ccc(O)nn1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1812353218 MDDCFHCKZLZRBO-SZNDQCEHSA-N 499.911 2.040 10 20 JECD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162356 RITDTWINWNRHKA-ABEZYIQYSA-N 469.538 2.325 10 20 JECD Cc1nc(C)c(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1814186309 NYXOJAKYKQOFLW-CRAIPNDOSA-N 489.648 2.335 10 20 JECD COC(=O)CSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815221242 BFFYFGZWGCFLSN-GOSISDBHSA-N 498.565 2.101 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2(Br)CC2)[nH]n1)c1cc(O)nc(O)c1 1817847540 JXVFRWDUYLYVBO-LBPRGKRZSA-N 450.293 2.449 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)C3CCC4(CC3)OCCO4)sc2C1)c1cc(O)nc(O)c1 1824899936 NLTHXLRHAOOMMM-CQSZACIVSA-N 474.539 2.108 10 20 JECD Cn1c(=O)n(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)c2ccccc21 1827427928 VHAMMOWMRIIRIL-IBGZPJMESA-N 493.564 2.080 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)COc1ccccc1F)CC2 1828249488 IMBRIFGZMRVBAM-LLVKDONJSA-N 494.595 2.134 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)CCCn1cccc1)CC2 1828250031 NSFGPZWUGNAJFU-ZDUSSCGKSA-N 477.637 2.197 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)c2cc(CO)on2)CC1 1829815977 RYIPCRXXZGEJBT-JOCHJYFZSA-N 479.537 2.193 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cnccc3C(F)(F)F)CC2)CC1)c1cc(O)nc(O)c1 1834988000 GYEVFVZNGATYDQ-UHFFFAOYSA-N 493.486 2.406 10 20 JECD CC1(C)CC(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)C1 1838792745 GGBAIFSKPRJKKR-UHFFFAOYSA-N 467.657 2.282 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(Cl)ccnc3c1)CCO2 1839490100 IAWJYCINEJXSDY-XMMPIXPASA-N 498.923 2.078 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)CCc2nc(-c3ccc(F)cc3)no2)C1 1842021738 LETJETFBWUFDJU-UHFFFAOYSA-N 467.457 2.132 10 20 JECD CC(=O)N[C@@](C)(C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccccc1F 1845262964 CKWHTNOLVGJWJD-VMQHTIDMSA-N 497.523 2.211 10 20 JECD O=C(CCc1cncc(C(F)(F)F)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056561 RHHDHNIPJZLVQA-UHFFFAOYSA-N 486.541 2.097 10 20 JECD CCn1c(C)nnc1SCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 726432816 YJXFRSHQFMICFR-SXGWCWSVSA-N 491.620 2.445 10 20 JECD Cc1ccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c(Br)c1 726977012 VTEDNIAMZYFAFQ-UHFFFAOYSA-N 473.414 2.471 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1C(=O)O 728014876 JDIKRMOLAWJZDW-UHFFFAOYSA-N 481.430 2.058 10 20 JECD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)n1 731127921 PMFFGCKVZWKJIY-UHFFFAOYSA-N 477.521 2.141 10 20 JECD C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccc(N3CCOCC3)c(F)c1)C2=O 917707555 NISHWNARNKDLGF-UPCLLVRISA-N 460.550 2.415 10 20 JECD COCCOCc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 918440118 OQJPYACQXOWPCH-UHFFFAOYSA-N 459.518 2.205 10 20 JECD CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 918616094 SGVJJYFPJVONGO-INIZCTEOSA-N 463.522 2.220 10 20 JECD CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)n2)o1 919809089 DPGPAYMFHBXIMX-UHFFFAOYSA-N 450.498 2.369 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)cc1 920251606 DMMAURDSYCDVDE-CMDGGOBGSA-N 498.536 2.184 10 20 JECD C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)C1 920869973 WQOVOHUVFNXEPW-BDTNDASRSA-N 471.646 2.416 10 20 JECD C[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1ccc(N2CCOCC2)cc1 920880430 IWVWTSGVYMLILO-SFHVURJKSA-N 499.637 2.470 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4cccc(Cl)c34)C2)C1 1778756958 WTRCEUXDVAVPDA-JOCHJYFZSA-N 456.886 2.385 10 20 JECD CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cn1 1782004824 NRFOKNJHBQRSRN-JOCHJYFZSA-N 462.934 2.460 10 20 JECD O=C(CCN1CCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1783319289 KGOYRBYAFHUXRI-AUSIDOKSSA-N 465.978 2.365 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4ccccc4O3)C2)C1 1783845419 JZVHYJCWIFTOBY-XFVAHXTJSA-N 480.517 2.040 10 20 JECD Cc1ncc(/C=C/C(=O)N2CC[C@@]3(C2)CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)CCO3)s1 1784685522 HPHCDTYJKWSJMA-PRSVDJLGSA-N 479.562 2.088 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1nc(Cl)ccc1F)CCO2 1785509262 XXGQATOSELNZNK-AOQYBADCSA-N 477.876 2.148 10 20 JECD COc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)cn1 1790243251 ZPMMCZVCEXXUML-KNBMTAEXSA-N 489.956 2.381 10 20 JECD Cc1nc2ncccn2c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790245049 NQBGVXFXTBDQNJ-YEWWUXTCSA-N 485.928 2.009 10 20 JECD CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1798938117 FAAXWIJSIMBHKN-CWPLJXCYSA-N 459.930 2.334 10 20 JECD CC(C)(C)OC(=O)Nc1ccccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1799619623 ABBHEXDLEFHCQE-VPTLXERWSA-N 498.536 2.357 10 20 JECD CC(C)(C)n1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cn1 1799767237 FFPKMIALKOUYPD-JLVBRIDZSA-N 462.934 2.220 10 20 JECD CCSc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802078027 XMJCHULDYUZXHK-JVUDYFJLSA-N 485.562 2.227 10 20 JECD CC(C)N1CCC(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)CC1 1804139416 GBKCRYNKOZNCIL-WMZHIEFXSA-N 467.570 2.328 10 20 JECD CCOC(=O)c1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)ccn1 1804288934 PEKQZCFDKPBOHY-DTUWPTEXSA-N 481.505 2.340 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)nn1C 1805588193 GBLAXPIBQZFITK-NTKDMRAZSA-N 485.548 2.236 10 20 JECD CCn1ccc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n1 1808467949 KIYQPKZIOUDYLX-DVECYGJZSA-N 485.548 2.411 10 20 JECD Cc1nc(F)ccc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1811135582 QCBTVVHOVDLDOD-FOIQADDNSA-N 487.582 2.104 10 20 JECD Cc1nccnc1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814163513 FUELCUOJEKRKEO-OPWPMMOYSA-N 475.505 2.330 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2noc3c2CCCC3)[C@H]1c1cccnc1 1814188820 AZZUZWSTWYMNMA-BTYIYWSLSA-N 499.618 2.128 10 20 JECD O=C(CSc1ccncc1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816721149 HFGIEMWDSRTBHC-GFCCVEGCSA-N 457.537 2.362 10 20 JECD C[C@H](Nc1nccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1818091760 KDMDGHJIMZNTET-AAEUAGOBSA-N 493.640 2.219 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cncnc2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146647 VTSKDZDZOKOIQI-IBGZPJMESA-N 458.482 2.299 10 20 JECD CSCC[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818147703 FGXOUFORSHHSPY-MOPGFXCFSA-N 484.582 2.309 10 20 JECD Cc1ocnc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1820858666 CEFRJTWPLWPJFT-QDBLGGKGSA-N 456.480 2.496 10 20 JECD COc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC3)nn1C 1821772518 OSNPDUQHSXZFIE-SNVBAGLBSA-N 477.930 2.489 10 20 JECD Cc1cncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c1 1823496642 NQZYVMCPDVFYFD-HNNXBMFYSA-N 458.569 2.279 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)COc2ccccc2F)[nH]n1 1823499474 ICDSCWKANITIDC-OAHLLOKOSA-N 491.570 2.480 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)nn2)[nH]n1 1823499927 GOECPIFJWRVTOI-LBPRGKRZSA-N 479.975 2.019 10 20 JECD CC(=O)N[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)C(C)(C)C 1824362460 RQWWXHODPUIFHH-FXAWDEMLSA-N 496.699 2.017 10 20 JECD COCCOCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1826626321 VSBPSHARCUXLCN-ZLQZBKBYSA-N 462.543 2.099 10 20 JECD O=C([C@@H]1CC[C@H]2CCC(=O)N2C1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427908 LLCJNARKZWIFSR-YZGWKJHDSA-N 470.570 2.127 10 20 JECD CCOC(=O)N[C@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739962 VSUCXYAMQMSVPZ-QFBILLFUSA-N 483.949 2.049 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3sccc3s1)CCO2 1836862030 PZWBXYNTHLCYHG-NRFANRHFSA-N 475.548 2.153 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)c(Cl)c1)CCO2 1838921509 XTXZOQINLSUBGL-NRFANRHFSA-N 482.320 2.183 10 20 JECD Cc1cc(Cl)c(Cl)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1839461628 NBVUTFIWLWAKKS-JOCHJYFZSA-N 496.347 2.492 10 20 JECD N[C@@H](C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cccc(Cl)c1 1842940499 GXMPZPMWNYJBIQ-OAQYLSRUSA-N 465.941 2.336 10 20 JECD C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249542 WHKZSPAKGLWGQN-BEFAXECRSA-N 474.558 2.345 10 20 JECD CO/C=C(\C)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251664 PFEOBMMXCYVCSG-IYICPGQYSA-N 489.569 2.287 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2c(F)ccnc2Cl)=NN1c1ccccc1 1848283208 JNDSTJLBWZSBPR-IRXDYDNUSA-N 455.877 2.482 10 20 JECD C[C@H](OC(=O)CCCN1C(=O)CN(C)C1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 742293370 YTSAGYIWAYPIGE-AWEZNQCLSA-N 477.473 2.006 10 20 JECD CCOc1ccccc1N1C[C@@H](C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1=O 742910709 NFNQPQCFNVBASA-FQEVSTJZSA-N 466.582 2.385 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cn1cnc2ccc(Br)cc2c1=O 915531878 ARTGQBRMTZEZLN-UHFFFAOYSA-N 487.354 2.427 10 20 JECD Cc1cc(CN2CCN(CC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)CC2)on1 916974005 CPCYKJCAOBKCQV-OALUTQOASA-N 459.566 2.170 10 20 JECD CCOC(=O)N[C@H]1CCCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 917057084 LDLVCAOBFFIOAR-SCTDSRPQSA-N 450.555 2.266 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(CN2CCCC2=O)cc1 918284512 IDBBRNJOBFFFNZ-UHFFFAOYSA-N 454.502 2.040 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)cc2)C1 918373348 WQOLQNPPAFUCFP-HXUWFJFHSA-N 484.622 2.078 10 20 JECD COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 918465372 LBXJFSXLWFTAKV-INIZCTEOSA-N 472.929 2.083 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(c4ccccc4OC)CC3)CC2)cc1 920250307 DSEDZJRZWCNJFV-VAWYXSNFSA-N 464.566 2.257 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H](C)OC[C@@H]2CCCCO2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 921217365 AZPWDOFUFBTQBR-MJGOQNOKSA-N 478.567 2.442 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnnc(Cl)c1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126466 XAWZETOTJPZWSC-NTKDMRAZSA-N 496.955 2.050 10 20 JECD COc1cccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)n1 1782004283 URVUJXZUJRNJGR-HSZRJFAPSA-N 475.929 2.231 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)o1 1782007133 KIXAFHPBGNLQBA-OAQYLSRUSA-N 463.874 2.060 10 20 JECD Cc1nccn1CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1784409867 SMYFQIYQIPNFSV-JOCHJYFZSA-N 462.934 2.180 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1n[nH]c(C2CC2)c1F 1794480740 JSEYOXDJLSZSLV-DRXBFXEBSA-N 464.881 2.008 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C1CC1)C2 1796307556 KQTHUQAFDUXTCB-MQLJDPFESA-N 498.624 2.260 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(F)cc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796482538 GNMMQTBTHMJAMG-HBNMSFMJSA-N 478.524 2.141 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cc2ccccn2n1 1796934231 DYNAGDDULFLHOQ-PDFPEKILSA-N 456.506 2.379 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cccc(C(F)(F)F)c1F 1799539899 ALAKXQPRTJGXCI-KSPBDQMDSA-N 469.391 2.168 10 20 JECD O=C1COc2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)/C=C/c3ccc(O)c(O)c3O)cc2N1 1804285620 BZPFRYGCPOFZTD-KFSMGIKGSA-N 479.489 2.100 10 20 JECD Cc1nn(C)c(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)c1F 1805150226 MWWBNCLOCMZEJR-VACSHPSYSA-N 495.511 2.412 10 20 JECD O=C(Cc1ccc2c(c1)OCO2)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1806677583 NRZLTENZMNMISC-BXKMTCNYSA-N 476.489 2.179 10 20 JECD COc1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1807990873 KMZNSCLRFOCEQZ-KOSHJBKYSA-N 462.506 2.459 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3cnccc3[nH]2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996420 RUTZYAXJGZPGFE-QRQCRPRQSA-N 458.478 2.398 10 20 JECD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n[nH]1 1810424197 FJUSSXIHAOLJFQ-OYOQQZMJSA-N 477.521 2.192 10 20 JECD C[C@@H]1CCc2c(C(=O)N3CC[C@H](CNC(=O)CN4C(=O)CSC4=S)[C@@H]3c3cccnc3)n[nH]c21 1814189671 VTWZPCZLQDWDAR-VWLHBSKXSA-N 498.634 2.034 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)n1cccc1C=O 1815382523 HOYASDHBBGLGDF-DGCLKSJQSA-N 455.496 2.050 10 20 JECD C[C@H](Cn1cncn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1820076058 AEMUOLYGEWGRTH-ZYHUDNBSSA-N 476.946 2.361 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1824397392 IGOFHSIXDJQBOQ-PGRDOPGGSA-N 481.597 2.314 10 20 JECD O=C([C@@H]1CC[C@H]2CCC(=O)N2C1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427901 LLCJNARKZWIFSR-HOJAQTOUSA-N 470.570 2.127 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)c2ccnnc2O)CC1 1829541156 SFSYEUQYMSKTRS-SUQGKYDKSA-N 468.510 2.246 10 20 JECD CCc1nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)co1 1832901133 ODAPWFLSQBVXIG-INIZCTEOSA-N 464.613 2.331 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cc(Cl)ccn1 1835889222 DLISYQJMZOVAQU-UHFFFAOYSA-N 459.934 2.040 10 20 JECD Cc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)c1 1839431754 LMJIUDBUWRGGDE-XMMPIXPASA-N 474.941 2.372 10 20 JECD Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)sc1C 1839433385 FXWBQFHOIQAAGE-OAQYLSRUSA-N 481.958 2.208 10 20 JECD COc1ncc(Cl)cc1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034719 LHQUIBYTACFNEP-GQCTYLIASA-N 459.886 2.391 10 20 JECD Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)sc2n1 802657898 CQBFZEXOWHRYAD-CYBMUJFWSA-N 477.568 2.155 10 20 JECD CCN(CCCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)S(C)(=O)=O 918119225 PZPBKCBCADEOPB-UHFFFAOYSA-N 466.526 2.013 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 918284516 IDZHRQYFYZHRPX-FQEVSTJZSA-N 457.502 2.475 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 918284692 OMZUQOQPDBCIOZ-NRFANRHFSA-N 470.501 2.035 10 20 JECD CCOC(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919698177 VGYCTAVZBXTFDG-IBGZPJMESA-N 470.549 2.427 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCNc3ccc([N+](=O)[O-])cc3)CC2)cc1 920256238 UGDIKRGOYSFABL-KHPPLWFESA-N 453.499 2.037 10 20 JECD C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(N2CCOCC2)cc1 920873222 PBWCJVSSKFKCMR-IBGZPJMESA-N 487.626 2.342 10 20 JECD COCCN1C(=O)/C(=C/Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)C(=O)NC1=S 920974195 CTGIPJGSYHPSHN-NTCAYCPXSA-N 494.982 2.326 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1ccnc2ccccc12 1778427481 GGIVCIIMACRGBM-NTKDMRAZSA-N 498.630 2.223 10 20 JECD C[C@@H](Nc1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1779392752 MOUMRJCTFMTIQX-CGROQTEOSA-N 489.960 2.169 10 20 JECD O=C(CNC(=O)c1ccco1)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788426442 JYEMFGZIHFNZOS-UHFFFAOYSA-N 450.451 2.264 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCCC1 1792624026 YNYVQSBNNAAOFM-KAOXLYBCSA-N 499.656 2.439 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccc(C(F)(F)F)[nH]1 1804336148 XMCHLLLMKXSSII-JGPRNRPPSA-N 460.503 2.146 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1c[nH]c2nccc-2c1 1808082453 GSYZJMSSFOVANG-JXFKEZNVSA-N 494.602 2.089 10 20 JECD Cn1ncc2c(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)cccc21 1809437041 WASIQXNCKLDEEM-HJPURHCSSA-N 472.505 2.408 10 20 JECD O=C(O)CSCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1813087943 YQSOVVAUCQFHOM-BFUOFWGJSA-N 479.942 2.284 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H]1c1cccnc1 1814160959 ATFKZHJBVNFPAI-LBVNMZTGSA-N 477.521 2.274 10 20 JECD CC(C)N(C)CC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814165510 GPFLCYACAGPYPW-QRZGEARGSA-N 468.554 2.258 10 20 JECD Cc1cccnc1CCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814185192 MTVPMKGMAYTXDG-WZONZLPQSA-N 497.646 2.284 10 20 JECD O=C1CSc2ncc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)cc2N1 1821521660 DOGDLUMMMRPNJW-HNNXBMFYSA-N 495.521 2.275 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)C3CCC(O)CC3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1826352071 MTAKQSGXZRIAKJ-ISXOHVOVSA-N 481.578 2.399 10 20 JECD CC(=O)N[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)C(C)(C)C 1827424104 PERXMSIUZHYYQE-GHTZIAJQSA-N 460.575 2.277 10 20 JECD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1839431659 GUZZEKHIIQNIMG-DEOSSOPVSA-N 490.940 2.073 10 20 JECD Cc1occc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839431904 VGEIXDAHRPHTTP-OAQYLSRUSA-N 450.875 2.036 10 20 JECD COC(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c(C)c1 1847037764 PYYYTUWWGTWLLK-RMKNXTFCSA-N 466.490 2.429 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 59367838 UMVLVYMEWJCKPZ-UHFFFAOYSA-N 458.628 2.416 10 20 JECD O=C(CSc1n[nH]c(=O)n1C[C@H]1CCCO1)Nc1cccc2c1C(=O)c1ccccc1C2=O 104602899 DIBPLZTZYAASCP-CYBMUJFWSA-N 464.503 2.257 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CCOc3ccc(S(N)(=O)=O)cc3)cc2F)C[C@@H](C)O1 726380789 DRXILCLWEJKTOD-HZPDHXFCSA-N 465.547 2.172 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2nc(CN3CCN(c4ccccn4)CC3)cs2)c1 727489368 VHBHEXJFVOCKSQ-UHFFFAOYSA-N 488.595 2.190 10 20 JECD Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C)n1-c1cccc(Br)c1 728699460 VHIZYSHMKBNUBZ-VQTJNVASSA-N 496.427 2.084 10 20 JECD CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 747880660 WVDHDZCGYHHTQP-GOSISDBHSA-N 494.456 2.471 10 20 JECD Cc1cc(C(=O)COC(=O)c2cn3ccccc3n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 753433022 DNBWRSWIQVXRTQ-UHFFFAOYSA-N 452.492 2.429 10 20 JECD O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 789850582 LEBNEZWTXMAFKL-UHFFFAOYSA-N 487.424 2.282 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CCn3cc(Br)cn3)CC2)cc1 917624657 IHFBYBAWIXQUID-UHFFFAOYSA-N 450.381 2.373 10 20 JECD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c3cnn(C)c3)c2C)c1 919130548 KEEYBPNVWFDHHS-UHFFFAOYSA-N 476.580 2.254 10 20 JECD CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)cc1 919806370 TWKGZWCXVFDVDQ-UHFFFAOYSA-N 495.623 2.208 10 20 JECD CS(=O)(=O)N1CCC[C@@H](NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 920292558 PMVQVKUBMTWMLM-LKKYZFDUSA-N 473.667 2.270 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4cccn4)cc3)C2)C1 1781722818 ZRNJSERCMSGHNM-AWQUAADZSA-N 490.516 2.146 10 20 JECD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007782 MGUMHUVWFCAOEM-OAQYLSRUSA-N 477.857 2.122 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCO[C@]2(CCN(C(=O)C3(F)CC3)C2)C1 1782905233 AYLATCOFBXZBNJ-NTKDMRAZSA-N 490.576 2.037 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(F)cn1)C2 1783219878 GMHZOYSHPMZMTQ-YRYALJLDSA-N 471.485 2.178 10 20 JECD COc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)cc1F 1785640667 FNUIQPNGEWCGCS-MIUNTBIASA-N 479.892 2.201 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3ccncc3O)CCC2)cc1 1792315091 BPKGJEGXPBEBCS-UHFFFAOYSA-N 456.549 2.395 10 20 JECD Cc1nccc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)n1 1792315100 CSMHPUFNTNRVMY-UHFFFAOYSA-N 455.565 2.393 10 20 JECD CCOC(=O)/C=C/C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1806300385 RHOPJHSKBNDCHO-LOGHXIJQSA-N 481.505 2.037 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)o1 1807996702 ZZXXANOHMFEZLY-VFNWGFHPSA-N 465.466 2.073 10 20 JECD Cc1ccc(S(=O)(=O)CC(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)cc1 1809363861 MWZMHXBMTIEHCW-UHFFFAOYSA-N 487.578 2.120 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc2cnccc2[nH]1 1809998439 YXILJQJBCJPXRZ-QRQCRPRQSA-N 458.478 2.398 10 20 JECD O=C(CCn1ccnn1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1813431662 FIFNVKBLUSOSBA-MGPUTAFESA-N 470.917 2.148 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cc3cnccc3[nH]2)[C@@H]1c1cccnc1 1814189469 QHGIYTSMANRFHV-QVKFZJNVSA-N 494.602 2.138 10 20 JECD Cc1n[nH]c(C)c1CC(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362546 ZCMBXWNEJMAVCG-HNNXBMFYSA-N 491.577 2.431 10 20 JECD C[C@@H](Cn1ccnc1)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817366996 MNWQIFWCJWKMIU-HOTGVXAUSA-N 491.577 2.381 10 20 JECD Cn1ncc2c(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cc(O)nc(O)c3)CC4)cccc21 1818556555 YKMFTDKRZDNEJY-GFCCVEGCSA-N 464.507 2.376 10 20 JECD CSCC[C@@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1822431975 AJCKJFXMHBSTRQ-RBUKOAKNSA-N 484.582 2.309 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 1825714898 SKLOTDGAUCAOHO-QKYXPGDISA-N 468.510 2.246 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3scnc3C(F)(F)F)CC2)CC1)c1cc(O)nc(O)c1 1834988150 PSDJHGFWHDEQHA-UHFFFAOYSA-N 499.515 2.467 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnn4C)C3)C2)cc1 1839348504 CZITWQXBCJSVQY-SANMLTNESA-N 477.565 2.211 10 20 JECD COc1ccc(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1 1839433373 SPKKXGJDFYCAQB-XMMPIXPASA-N 490.940 2.452 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)c3sccc3Cl)C2)C1 1840880929 UEUGFSWIHVHGNB-YSNSILARSA-N 494.953 2.302 10 20 JECD CC(C)NC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c([N+](=O)[O-])c1 589795182 LWJGRYBPSGPVPB-UHFFFAOYSA-N 490.567 2.249 10 20 JECD CS(=O)(=O)NC[C@H]1CCCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 726721232 BROIWMJJSPBVHW-OAHLLOKOSA-N 460.547 2.228 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2)cc1 743286574 LKPGQLKONFYZPF-UHFFFAOYSA-N 467.570 2.111 10 20 JECD CCc1nc(CN2CCN(C(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)CC2)cs1 743362731 IJWIFRYKZXVQRS-UHFFFAOYSA-N 472.659 2.364 10 20 JECD CCN1CCN(C(=O)c2ccc(NC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2)CC1 744796370 JLBRJKRAOYNIJI-JOCHJYFZSA-N 492.624 2.488 10 20 JECD O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1 747148265 TZHWMRPDVCRZQN-HBKJEHTGSA-N 470.576 2.292 10 20 JECD NC(=O)COc1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 913317859 PNBBPUGYQVQFBV-UHFFFAOYSA-N 458.426 2.122 10 20 JECD O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916457401 BFJPHKNZINCHLX-IAGOWNOFSA-N 453.461 2.333 10 20 JECD COc1ccc(N2CCCN(S(=O)(=O)c3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1 917759127 HMERRIKBKJWDQS-UHFFFAOYSA-N 459.568 2.069 10 20 JECD COc1ccccc1C(=O)N1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 918117467 LJSSUYKVGSYSQG-FQEVSTJZSA-N 479.581 2.065 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(=O)Nc1ccc(-n2ccnc2)nc1 918276262 CJQFYQBTNZSFEA-UHFFFAOYSA-N 474.443 2.378 10 20 JECD CC(C)(CNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)C(N)=O 918601467 CDWLBDIXYDJZJU-GHXNOFRVSA-N 456.387 2.278 10 20 JECD Cc1csc(=O)n1CCC(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918891672 RDUYNZSRYUXDKX-IYBDPMFKSA-N 465.547 2.221 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cccnc3N3CCOCC3)cc2F)C[C@@H](C)O1 919020746 NRMVBELDSJPPKM-HDICACEKSA-N 486.544 2.144 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919800411 RZFHPEIVSJBULL-UHFFFAOYSA-N 464.501 2.206 10 20 JECD CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 919969067 WDGHOBUOACVMQR-UHFFFAOYSA-N 451.976 2.387 10 20 JECD COc1cc(CNCc2ccc(N3CCOCC3)cc2)ccc1OCC(=O)N1CCOCC1 920181421 XXGPWOSNERVJAZ-UHFFFAOYSA-N 455.555 2.059 10 20 JECD Cc1cc(C(=O)COC(=O)CNc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(S(N)(=O)=O)cc1 920604357 CJUSWWPMDUWKEE-UHFFFAOYSA-N 486.506 2.488 10 20 JECD Cc1nc(-c2cccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2)no1 920787576 ZCQJHCXUKLCLKY-SFHVURJKSA-N 462.510 2.002 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@@H](c3cccc(F)c3)N3CCOCC3)cc2)C1 921199569 MARMEBNNLZOPDE-QPPBQGQZSA-N 483.588 2.400 10 20 JECD C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1317724723 OVCVJDPQIYXJSB-OAHLLOKOSA-N 492.509 2.311 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c(O)n1 1778128036 WKKFYQHJUVRVCB-QFQXNSOFSA-N 491.548 2.016 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 1790126644 FDQWWOIGVOKAEQ-NMTNEYKDSA-N 495.624 2.395 10 20 JECD COc1nc(C)ccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804286408 TZLVWZQWSJGVRV-NSSDBFJLSA-N 453.495 2.481 10 20 JECD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804334562 QWEYAMLPAFEVER-QDMKHBRRSA-N 496.998 2.289 10 20 JECD CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1807072199 DNKGEELUFDIQBX-PZVOEZMOSA-N 476.581 2.254 10 20 JECD Cc1ncc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)s1 1807997810 DRLHFKVZDCEPFK-VFNWGFHPSA-N 453.524 2.215 10 20 JECD Cn1ncc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)ccc21 1809428033 OVINBDXWPWJCAR-SBUREZEXSA-N 472.505 2.408 10 20 JECD CC[C@H](C)[C@H](N)C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1809708260 QYQYVNVABUGRES-AVRDEDQJSA-N 453.587 2.384 10 20 JECD COc1ccccc1CC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1812764977 ORVONGWPIFOURD-KOSHJBKYSA-N 462.506 2.459 10 20 JECD CC(C)NCCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814163111 ZGJUCIVTLLFWJX-OENDTSTASA-N 468.554 2.306 10 20 JECD O=Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1814185418 BQFYBPCCVWHWFP-IFXJQAMLSA-N 488.616 2.136 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848710 YFSLCYJAUPJNDP-GUYCJALGSA-N 452.471 2.384 10 20 JECD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)no1 1828195504 OVRDPJOSVMHEOY-QBODLPLBSA-N 456.480 2.496 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCCCC1)CC2 1828199508 WPWKETSUUFBDKN-FUVBFXSKSA-N 472.567 2.371 10 20 JECD CC(C)(C)n1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cn1 1828239732 FSTTVHFTPVKIJI-GFCCVEGCSA-N 492.652 2.181 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)cc1 1833168656 DCRXQMLXAIXVPW-HHHXNRCGSA-N 489.576 2.197 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(N2CCC(NC(=O)C34CC(F)(C3)C4)CC2)CC1 1833515659 KIHNWZVQSLMQAL-UHFFFAOYSA-N 481.572 2.243 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc4occc4c3O)CC2)CC1)c1cc(O)nc(O)c1 1834987415 SJEIHCCEVDSOPV-UHFFFAOYSA-N 480.521 2.444 10 20 JECD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(F)c1 1839291602 APFKMKAHCPAEQK-HSZRJFAPSA-N 494.903 2.283 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)n2ccnn2)CCO3)cc1 1839710574 NMETVEBBZWVRIY-QFQXNSOFSA-N 492.580 2.017 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2cncn2-c2ccncc2)C1 1842280525 IEIZIRFSFYGBKJ-UHFFFAOYSA-N 453.886 2.463 10 20 JECD CC(C)(C)OC(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846138650 AQUYVPORLFTJEC-LAGYLCCXSA-N 486.569 2.488 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O 1848069147 MJAUMQHRSSZXQJ-HQKNSTOHSA-N 463.534 2.075 10 20 JECD CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 727244103 UEQPFZZJFYDUFJ-UHFFFAOYSA-N 467.550 2.290 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)/C(=C\c3cccc(OC)c3)n3nnnc3C)CC2)cc1 843444060 GLPUOYBZJAQNKZ-NCELDCMTSA-N 491.596 2.325 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)CC2)cc1 915699571 LZJSIMVJBPWSCT-UHFFFAOYSA-N 495.624 2.430 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CN3C(=O)c4ccc(Br)cc4C3=O)cc2)C1 917833122 MJKQXOYDVXCSON-OAHLLOKOSA-N 499.365 2.063 10 20 JECD CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 918214021 QMUICAUVSNUSTB-HNNXBMFYSA-N 478.537 2.013 10 20 JECD CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 920193530 DATJRLBIOPOUMY-IBGZPJMESA-N 479.581 2.125 10 20 JECD CN(CCOc1ccc(Cl)cc1)C(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O 920636991 TUBDKJCEPTURPK-UHFFFAOYSA-N 456.904 2.111 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783223220 ZWZAYMZGNKLRAP-ATCQTIRPSA-N 497.548 2.193 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4ncsc34)C[C@@H]21)c1cc(O)nc(O)c1 1787293240 CLCUQZRJWWQJOW-NUTKFTJISA-N 454.508 2.010 10 20 JECD C[C@H](Sc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792221414 XLJCYHSZXVEFHM-MOYUDYGMSA-N 499.589 2.372 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1ccc(C2(NC(=O)CN3CCOCC3)CCC2)cc1 1792301078 CGPWTVFZDQJEPU-YCRREMRBSA-N 467.522 2.283 10 20 JECD Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1793727472 LUXUQWQHIKNHKJ-XHQGLMHISA-N 466.534 2.347 10 20 JECD O=C(Cc1cccnc1Cl)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1793954725 ZUUJJOAKYIBONQ-ZSBFGKGUSA-N 466.321 2.246 10 20 JECD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c(F)c1F 1802082457 MNROWHAZFQTBTL-BSUGAHGASA-N 474.460 2.307 10 20 JECD O=C(CCc1cn[nH]c1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1804505634 DGVNOCZFZDVYHG-CXAJTEIHSA-N 477.521 2.274 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807996078 XKZQYWFOZPTIOQ-DJJJIMSYSA-N 490.442 2.274 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2[nH]cnc2-c2cccnc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996093 XVBVDNQFLLOIEV-GAJHUEQPSA-N 485.504 2.306 10 20 JECD COCC1(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)CC1 1808465142 QWPYQIWMKAOEKY-CVDCTZTESA-N 475.549 2.307 10 20 JECD Cc1ncncc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808470332 WDYYUVVMIFJXER-CYFREDJKSA-N 483.532 2.293 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1ccncc1O 1810663169 XKRMHLLCKVYJHG-UUOWRZLLSA-N 484.516 2.295 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc(O)cc1F 1811072356 BAFMSAUUXFSYBE-VBKZILBWSA-N 488.566 2.106 10 20 JECD Cn1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)n1 1811803224 GKAPQPWXSJUPGH-BTYIYWSLSA-N 469.929 2.442 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)n1cncn1 1811810540 UGHRBSQUQGCZQC-ZXYWRSMDSA-N 470.917 2.319 10 20 JECD O=C(/C=C/c1cnc[nH]1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813299016 ZQAVRBNURJFAMC-QYKZUZCYSA-N 483.532 2.317 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccnc(Cl)c2)[C@@H]1c1cccnc1 1814186450 PGEOLRITYOYCOO-HNAYVOBHSA-N 490.010 2.310 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CC2)c1cc(O)nc(O)c1 1816728926 OCIVKISIVWABQY-GTVBZTTRSA-N 491.529 2.085 10 20 JECD O=C(Cc1ccncc1)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362358 WIKWLPBODXTBKI-INIZCTEOSA-N 474.546 2.486 10 20 JECD Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cn1 1825297251 VHFZJJYDNWQMIR-IBGZPJMESA-N 474.652 2.413 10 20 JECD Cc1nn(C)c(C)c1CC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899359 GATXRFPVXYEJMX-LJQANCHMSA-N 491.683 2.059 10 20 JECD O=C(c1c[nH]c(-c2ccc(F)cc2)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417782 MIHSMBJSWZCCCN-RUZDIDTESA-N 496.495 2.011 10 20 JECD COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC3CCN(c4ccc(OC)cc4)CC3)cc2)[nH]1 726563856 VADGANKSRCMIQP-UHFFFAOYSA-N 464.522 2.289 10 20 JECD CS(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726726339 KQNPVYRDRDRJJZ-UHFFFAOYSA-N 467.494 2.415 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccnn3C)n2)cc1 727252799 PLBNRZOYHWXBEN-UHFFFAOYSA-N 455.587 2.375 10 20 JECD C[C@@H](NC(=O)NCCCCN1CCN(c2ncccn2)CC1)c1ccc(N2CCOCC2)cc1 729226117 FMQMESNOAGZXEQ-OAQYLSRUSA-N 467.618 2.276 10 20 JECD COc1ccc(C(=O)N2CCN(Cc3cc(C(C)=O)cc(CN4CCOCC4)c3O)CC2)c(OC)c1 917621576 ZDWSZHNKOBKZNG-UHFFFAOYSA-N 497.592 2.402 10 20 JECD CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 917832823 HGVZUGYDTJJXBL-FQEVSTJZSA-N 472.611 2.347 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 917833357 PMSQJOJULFOWCP-QFIPXVFZSA-N 498.649 2.422 10 20 JECD Cc1cc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c(C)n1-c1ccccc1Br 918064559 DGLZPHFHCJOWJJ-UHFFFAOYSA-N 469.405 2.421 10 20 JECD CC(C)[C@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)n1nnc(-c2ccccc2)n1 919849482 WNAGQCSMPZVLTH-OAQYLSRUSA-N 468.583 2.088 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3ccncc3-c3ccccc3)C2)C1 1779856211 KUEKDFYPXATHKE-DEOSSOPVSA-N 496.614 2.052 10 20 JECD CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)c(F)c1 1782063599 XOKVXNFVHJTUFJ-QHCPKHFHSA-N 459.474 2.176 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)C2)C1 1783251669 KELIZRJYJTXBNU-QDPYOVSWSA-N 456.539 2.473 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1cc3ccc(Cl)cc3[nH]1)CCO2 1785539828 PWJGYLYAMKKPOI-NRFANRHFSA-N 493.010 2.125 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788429589 NVUZGYFKYJCIPK-UHFFFAOYSA-N 472.548 2.101 10 20 JECD CCCCC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1790895808 SGXROHXCCBKGHD-QZWWFDLISA-N 455.646 2.043 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)c3ccco3)C[C@@H]21 1792218268 ULCNLZKDEFDGRZ-XQVRWPTMSA-N 478.448 2.181 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1 1792221086 AFDCXTAGLCYSPG-NLAISDGXSA-N 495.532 2.069 10 20 JECD C[C@@](O)(C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1)C(F)(F)F 1792313895 HKPIDRPKSIQRDQ-QGZVFWFLSA-N 475.514 2.294 10 20 JECD Cc1ccc2[nH]cc(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3=NN(c4ccccc4)C(=O)C3)c2c1 1796480849 WXMJLTXWRZUATR-VXECKQGCSA-N 499.571 2.401 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1Cc3ccccc3C1)C2)C1=NN(c2ccccc2)C(=O)C1 1796482693 PCNYKZNAOKMTPD-IEMBSSLISA-N 486.572 2.174 10 20 JECD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[S@@](=O)c1ccccc1 1800216394 POHNTSGBJUDNQF-RJCXLFCHSA-N 492.981 2.151 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(F)F)cc1)C2 1802079430 IYEKJAMYGKFBPD-VYBCAQGZSA-N 490.459 2.321 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1csc(-c2cccnc2)n1 1804333196 CYUOTCYFODPXND-QDMKHBRRSA-N 487.632 2.317 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3cc(Cl)cnc3O)C2)CC1 1804707384 XMALFLHNRRMQHD-UHFFFAOYSA-N 483.015 2.146 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(=O)cco2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468652 WRNLCIQORFJWKQ-KOSHJBKYSA-N 485.500 2.147 10 20 JECD O=C(Cc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1814177078 FABXBZWBVINZQG-NPMXOYFQSA-N 495.467 2.497 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ncc(Cl)cn1 1816279696 NSECCSRSOPFRMC-LBPRGKRZSA-N 479.975 2.019 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720387 PRGWJOVBMPOXOM-JSGCOSHPSA-N 489.554 2.185 10 20 JECD Cc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)co1 1817364797 ZJEFKXFKTGWEND-ZDUSSCGKSA-N 464.507 2.458 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)c3cnn4cccnc34)sc2C1 1818993159 UJDRDQCTGYZUJT-LPZVBRGNSA-N 492.517 2.242 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cccn4nccc34)sc2C1)c1cc(O)nc(O)c1 1824076009 VVZPFMKNWZHDDP-LBPRGKRZSA-N 450.480 2.137 10 20 JECD Cn1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)n1 1827715032 GYQBCIWRYMCXCP-QFIPXVFZSA-N 462.554 2.446 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)Cc1cccc(Cl)n1)CC2 1828239662 ABOYUMVMOLEZOP-LLVKDONJSA-N 496.039 2.207 10 20 JECD CC(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)no1 1834500987 ZBWUDWZKBIFQQM-JOCHJYFZSA-N 479.917 2.246 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3C[C@]3(F)Cl)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835133969 QFQCHYGXTVAUQG-YADARESESA-N 489.979 2.275 10 20 JECD Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)n1 1836072828 NRYJCZHNGZTUSO-SANMLTNESA-N 493.564 2.098 10 20 JECD Nc1ccccc1/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434018 JDMBQONWPWZDBV-QQHIZMLBSA-N 487.940 2.117 10 20 JECD C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)CC=CCC1 1840559900 VTZWXUMMXQTRSI-CJZHKSBQSA-N 472.538 2.019 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)Cc2cccc(Br)c2F)C1 1841426180 DZIJPJVHGIGXAP-UHFFFAOYSA-N 464.291 2.454 10 20 JECD CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CC1 1843249109 XLNWNEAKLCGHNQ-JCNLHEQBSA-N 474.558 2.393 10 20 JECD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845502652 XJQYFPNNZSVPCL-IBGZPJMESA-N 489.931 2.455 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1846204994 UJCAYOWGJUSUBS-YSFYHYPLSA-N 498.624 2.476 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cc(C(F)(F)F)cnc3O)CC2)cc1 726284003 PZRONOTZNRSLCD-UHFFFAOYSA-N 481.475 2.082 10 20 JECD CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)cc1 746705119 BTMFVMMUCNJGMM-UHFFFAOYSA-N 452.598 2.361 10 20 JECD O=C(CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NCCc1ccccc1 746724485 KDOIPXZLEIDFQR-UHFFFAOYSA-N 491.571 2.100 10 20 JECD CN(C)CCN1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 914444878 DUTPLXOJZIVDOF-BMRADRMJSA-N 452.671 2.435 10 20 JECD Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)c(C)n1-c1ccccn1 914849740 UKRBBKYCAGAZEP-UHFFFAOYSA-N 480.550 2.218 10 20 JECD O=C(COC(=O)CC[C@H]1CCCO1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 914972741 VTYLMYFHKSSNAK-CLXYIWAZSA-N 492.575 2.235 10 20 JECD CC[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1OCC(=O)NC 918123630 ZPQJJLWXOOHDST-KNQAVFIVSA-N 481.597 2.464 10 20 JECD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918139884 GULVCEMMNCPQFZ-HOTGVXAUSA-N 477.558 2.237 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 918304382 PIMOACCOZAHJIM-UHFFFAOYSA-N 452.555 2.141 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 918311503 SIZUTTBMMDXZEZ-UHFFFAOYSA-N 460.534 2.330 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccccc1C(=O)N1CCCC1 918312007 YOAZNEQUFGKOPP-UHFFFAOYSA-N 450.539 2.356 10 20 JECD Cc1ccc(-c2nnn(CC(=O)OCC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)n2)cc1 918916581 UJHIUVZZOLUJCP-ROUUACIJSA-N 496.543 2.261 10 20 JECD Cc1nc2c(cc1C(=O)OCC(=O)NCc1ccc(N3CCOCC3)c(F)c1)c(C)nn2C 919078360 VTDNAUIKZUBNRF-UHFFFAOYSA-N 455.490 2.034 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)cc2F)C[C@@H](C)O1 919084545 GESXKWDJZYLIPT-SOLBZPMBSA-N 463.550 2.246 10 20 JECD Cc1c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nnn1-c1ccccc1 919607722 IWLNQXQIFQUKMS-UHFFFAOYSA-N 453.474 2.025 10 20 JECD CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 920926961 SZWDCSDKTSXZSE-KRWDZBQOSA-N 474.583 2.026 10 20 JECD CN(C)c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)nc1 1783220396 ZQUJSIYVKQFXRR-LJYFBSBXSA-N 496.564 2.105 10 20 JECD CC(C)(C)OC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1784780756 HHRYNGAQIWNXAL-JDFRZJQESA-N 468.934 2.076 10 20 JECD Cc1cnc(Cl)c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785508342 BPJYGIBVOSNXSQ-UUCGHWEQSA-N 473.913 2.317 10 20 JECD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)cc(C(F)(F)F)c1 1787294474 SNTRDDWARPHPOS-IGNZVWTISA-N 495.454 2.427 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1cc(F)cnc1Cl 1788845509 DUYVGDSTPKNHGE-DCPHZVHLSA-N 499.930 2.260 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4O3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790244894 DZYLFDPMQKNERG-XCODNNPBSA-N 472.925 2.348 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1COc2ccccc2O1 1794101582 MLWXJYDFCMNZEN-AISZDGGFSA-N 466.490 2.295 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccc(C(F)(F)F)cc3)CC1)C2)c1cc(O)nc(O)c1 1796141210 PZHNEAQNCPIKGV-YVWYUNDQSA-N 491.466 2.447 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc(F)c1F)C2)C1=NN(c2ccccc2)C(=O)C1 1796482499 BUCFWBWAASXGGS-HSAQVAQVSA-N 486.450 2.100 10 20 JECD CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1798978551 ZVSLPNCHUXRSNY-NWZCZOCDSA-N 452.507 2.282 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1C[C@H]1c1ccccc1 1800927078 GLOJBDMIKOGLJZ-BMOBTPJOSA-N 464.518 2.210 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(F)(F)F)c[nH]1)C2 1802080037 FWMOYZLQEKETJB-RJSSMCAOSA-N 481.427 2.067 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)c(Cl)c1)C2 1802107602 OSZGPRIDNMNXDL-DPIQGUFMSA-N 488.418 2.057 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1ccc(CO)o1 1810831697 DOZXAIZIYKNUBJ-UUOWRZLLSA-N 487.516 2.279 10 20 JECD Cc1n[nH]cc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1811486931 QXKRJKAHNTTXRB-JPYJTQIMSA-N 471.521 2.226 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnn3ccccc13)CC2)c1cc(O)nc(O)c1 1816726439 YTUHSCXDVSMVNB-GFCCVEGCSA-N 450.480 2.137 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CC(F)(F)C(=O)O)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146230 AGMHDWIGSZZFBL-MRXNPFEDSA-N 488.451 2.305 10 20 JECD COC(=O)C1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)CC1 1822000949 KVQWPCLZSCIPOS-PMGBHYCQSA-N 470.482 2.185 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1827695993 IYBBVGFPBXFHDO-NFIDKWMQSA-N 473.570 2.303 10 20 JECD COc1ccsc1C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828247233 QOKGOHUKHRTVFJ-VIFPVBQESA-N 482.634 2.299 10 20 JECD O=C(CCc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1834841472 BKHFIRWBSGVABB-XMMPIXPASA-N 474.941 2.454 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)c3ccc(O)cn3)CC2)CC1 1837585731 MUJNDQYEZZFHDA-UHFFFAOYSA-N 491.548 2.192 10 20 JECD COc1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1OC 1844914397 MATQHEYNFWYSKM-RMKNXTFCSA-N 454.479 2.351 10 20 JECD O=C([C@H]1CCc2ccccc2[C@@H]1O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034214 FHUZMRFDJUTODN-MBQYDLODSA-N 464.518 2.316 10 20 JECD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c(O)c(Cl)c1 1847946026 GMHKKOOZJGRPRT-YESZJQIVSA-N 495.960 2.203 10 20 JECD COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)cc1 623708235 VHOZBLPHGZFMKI-UHFFFAOYSA-N 459.549 2.080 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCC(NC(=O)c4cc(C)oc4C)CC3)CC2)cc1 727436787 LAWVKTJKOOYHKV-UHFFFAOYSA-N 454.571 2.448 10 20 JECD CCN(C(=O)[C@H](C)OC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)[C@@H]1CCS(=O)(=O)C1 728637125 IENLIISUWDODKU-PKOBYXMFSA-N 464.584 2.485 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3nc(-c4ccc(F)cc4)n[nH]3)cc2)C1 729877720 CDGPTWHOMLPFFK-KRWDZBQOSA-N 451.506 2.312 10 20 JECD COC(=O)c1ccc(N2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)[C@@H](C)C2)cc1 749915026 SZXHWWCABNIOTK-IBGZPJMESA-N 484.572 2.276 10 20 JECD C[C@H](OC(=O)c1csc(S(N)(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 760640491 YRZVOFUHZFFYQZ-NSHDSACASA-N 484.511 2.355 10 20 JECD COCCCn1cnnc1SCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917159424 ZLGLJPQETWFUPU-HOTGVXAUSA-N 451.568 2.476 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)cc2)C1 917834625 LMWOVNYSUONNHY-XZOQPEGZSA-N 462.594 2.486 10 20 JECD COc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1NC(C)=O 918443744 ZBBOOGBYTSPVRX-UHFFFAOYSA-N 454.527 2.117 10 20 JECD O=C(CCn1cnc2sccc2c1=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919698211 WZNZRMHDMUCLQE-UHFFFAOYSA-N 493.568 2.420 10 20 JECD Cc1cc(CN2CCCN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)no1 1318246077 NUAZMUSXBPZIIS-FQEVSTJZSA-N 454.575 2.102 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc[n+]([O-])cc4)CCO3)C2)cc1 1781753579 DVDXNOYKZYTUKD-SANMLTNESA-N 460.534 2.485 10 20 JECD O=C(Cc1ccc2c(c1)OCO2)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782002005 PNOOJGNRTKTRIM-QHCPKHFHSA-N 474.897 2.166 10 20 JECD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003507 KPLKLVGPXWXUPI-SGRIQBTBSA-N 477.857 2.409 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCC(F)(F)CC1)C2 1783243857 JYRKXBNDHHOZAV-FOIQADDNSA-N 489.610 2.186 10 20 JECD CCOc1ccsc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783244489 YDAYBZURPHURNV-QVKFZJNVSA-N 497.664 2.135 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)cc3C(F)(F)F)C2)C1 1785205117 YKBQDGVLWGJPFL-HXUWFJFHSA-N 469.391 2.408 10 20 JECD CCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1798418503 UCTJNCPSLSRWED-FCGDIQPGSA-N 491.585 2.208 10 20 JECD CC(C)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)CC1 1799767235 FEBZRIMHIVEUGF-XEMDLRDOSA-N 465.978 2.075 10 20 JECD O=C(Cn1cnc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1800889054 NTSHOLGMQXXXQE-USGNIVHTSA-N 470.913 2.004 10 20 JECD O=C(Cc1cc2cccnc2cc1F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804335682 CMOHUOLIATYVCK-BJWYYQGGSA-N 486.594 2.415 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1805536242 BRIYGFQZHHHHID-MRXNPFEDSA-N 476.574 2.498 10 20 JECD CC[C@H](C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1)N(CC)CC 1806175171 GONPVSQGLTVNIV-QGZVFWFLSA-N 468.689 2.198 10 20 JECD CCOc1ncccc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807992683 PXDQLEZGCCZHQF-IIBYNOLFSA-N 463.494 2.315 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807993145 DNNBIENZVNFZML-SWHJIRTISA-N 487.560 2.264 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(-c3cccnc3)[nH]n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994618 JVXJOTFCTOKYNG-GAJHUEQPSA-N 485.504 2.306 10 20 JECD CCn1nccc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808467036 CZDPKZCDMIHSHK-YADARESESA-N 485.548 2.411 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CC2(O)CCC2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469341 LTVMKBLLNAAAEH-NTKDMRAZSA-N 475.549 2.185 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cncc(O)c2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470244 UPYNZUOFXUHEGQ-KOSHJBKYSA-N 484.516 2.295 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)ncn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811796807 LLMWSRTZZPBKOG-ORAYPTAESA-N 469.885 2.275 10 20 JECD O=C(CCCc1cccnc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1813521149 GZOSSWVDBFASAN-XXBNENTESA-N 497.646 2.366 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n[nH]1 1814164282 XRNUXNAOBAAYNE-IRUILINGSA-N 463.494 2.263 10 20 JECD Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362549 ZCMBXWNEJMAVCG-OAHLLOKOSA-N 491.577 2.431 10 20 JECD O=C(COc1cc(Cl)ccn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1820083678 YAKREVUXWFHOMX-GFCCVEGCSA-N 475.914 2.303 10 20 JECD CCOc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)nn1 1820371157 HXKXEIBZTLWBEJ-HNNXBMFYSA-N 453.459 2.024 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1 1822048984 OJWZKTRTINXRLE-GFCCVEGCSA-N 464.569 2.368 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cc3cn[nH]c3cn2)CC1 1828754055 SDRDFHYGMWYQQR-LJQANCHMSA-N 450.499 2.311 10 20 JECD CN1CCC(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)CC1 1832900747 PPSLIYYVPAZNHD-LJQANCHMSA-N 480.700 2.198 10 20 JECD CC(C)(O)CC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1834574352 SBAFCRJQIXAFLU-UHFFFAOYSA-N 453.967 2.097 10 20 JECD CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1Cl 1836231173 PIFJKKDGAMKXLQ-NRFANRHFSA-N 499.351 2.074 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cccc4c3OCC4)CC2)CC1 1838031529 LZTXHBSLWPWPSJ-UHFFFAOYSA-N 467.522 2.354 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)cc1 1839348515 URDZQZIBDWKOFD-HHHXNRCGSA-N 490.560 2.111 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC4(O)CCC4)CCO3)C2)cc1 1840595300 VWUHNYYMWCCYCL-HHHXNRCGSA-N 481.593 2.469 10 20 JECD O=C([C@H]1CCc2ccccc2[C@@H]1O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441146 PGOHICZVNHBBDD-URXFXBBRSA-N 472.545 2.279 10 20 JECD COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCC1 108807061 DGRJKOAQQZFDDN-UHFFFAOYSA-N 459.568 2.246 10 20 JECD CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 726600568 BGKUQFOMDCZQCI-UHFFFAOYSA-N 482.624 2.456 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(S(N)(=O)=O)c(Br)s1 729259061 GVHZQKSUSOEKEC-UHFFFAOYSA-N 474.402 2.267 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 730616636 XYLIIMJNJIILEK-QFIPXVFZSA-N 487.622 2.496 10 20 JECD CC(C)NS(=O)(=O)CCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 746374291 DJPFAKCWHGUPOH-SDNWHVSQSA-N 461.656 2.174 10 20 JECD O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)NCc1ccc(N2CCOCC2)cc1 748458060 UZHBUNPUJNHCJU-UHFFFAOYSA-N 451.571 2.061 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@H](CC(C)C)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)cc1 784496871 YGXSGFWBSDAUBD-VABKMULXSA-N 497.592 2.253 10 20 JECD COc1ccc(C(=O)N2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)cc1OC 892817301 IAGGLXHSLMMABV-UHFFFAOYSA-N 454.571 2.186 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CS(=O)(=O)CCCc3ccccc3)cc2)C1 917834717 OLMGHZLWGZQAQL-OAQYLSRUSA-N 457.596 2.052 10 20 JECD Cc1sc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)nc1-c1cccc([N+](=O)[O-])c1 917925883 PANRICKNIAZDRH-UHFFFAOYSA-N 454.511 2.475 10 20 JECD CN(C)C(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 918278092 RXEJTTVNGCHDAM-UHFFFAOYSA-N 478.471 2.499 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 918284591 KKQSVRKYBVXLLZ-FQEVSTJZSA-N 457.502 2.475 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1NC(C)=O 918439580 NOTIFJZNTQAPBH-UHFFFAOYSA-N 458.490 2.009 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(N4CCOCC4)nc3)cc2F)C[C@@H](C)O1 919048089 ZIVYKUNUYQTINU-QZTJIDSGSA-N 486.544 2.144 10 20 JECD Cc1ccc(-n2cc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)nn2)cc1 919147973 SSEXEZJSAVYFTA-UHFFFAOYSA-N 453.474 2.025 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NC[C@@H](O)COc1cccc(F)c1 919785261 WNDKYJRJCOSJNP-HXUWFJFHSA-N 498.534 2.321 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCSC1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127514 OFOVEEUWGHEYRB-NXQMDHLFSA-N 484.622 2.436 10 20 JECD C[C@H]1CCc2c(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)n[nH]c21 1778605220 HWGGRZYDYUIIJS-LUMZGFHGSA-N 496.564 2.417 10 20 JECD C[C@@H]1CCc2c(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)n[nH]c21 1782005381 BWUBZLNHADKCKC-IPQOISQHSA-N 460.918 2.281 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783221607 HBGJLKHDBAUPAA-HUAJJTBBSA-N 489.613 2.308 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)OCO3)C2 1783222234 LBUIJXHJRXEFIC-WNGUJASGSA-N 496.516 2.373 10 20 JECD CC(=O)Nc1ccccc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1785099966 FGDVWCSWTUCNCB-HSZRJFAPSA-N 473.913 2.467 10 20 JECD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1)c1ccccc1 1785536132 ZLIDOALZUICFCK-BCHFMIIMSA-N 460.534 2.413 10 20 JECD CC(=O)c1cc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)n[nH]1 1787226370 OQRMBBYYSJQWJL-UHFFFAOYSA-N 471.564 2.220 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)cc3Cl)C[C@@H]21)c1cc(O)nc(O)c1 1787290082 COFAVOABIDBEHI-OWQGQXMQSA-N 463.893 2.121 10 20 JECD Cc1cncc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1 1792217388 ALGDRRHWSFFZCJ-DXPKTIRRSA-N 481.549 2.133 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1OCCc2ccccc21 1793491728 OGMXTIWMGXGUAX-SFNKJDCFSA-N 473.620 2.189 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc(C(F)(F)F)n1)c1cc(O)nc(O)c1 1794340889 IASIMHNYKDSGQK-QDMKHBRRSA-N 450.417 2.401 10 20 JECD Cn1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)c1 1795278072 FUSCQDUEONMGMN-PLACYPQZSA-N 496.612 2.390 10 20 JECD Cc1ccc([C@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc1 1796481229 VXAJRTSGEHXAGX-MGPQRACWSA-N 474.561 2.481 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cc(O)nc(Cl)c1 1796932575 KLROSFXCFICJEV-ACHSLPGTSA-N 467.913 2.485 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796934482 JJHQJOVWQRIASC-XEYPJELSSA-N 460.538 2.313 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1804071677 BELOBRKBJOSCBA-FJXIAYRNSA-N 475.542 2.370 10 20 JECD CC(C)(C)OC(=O)N1CC(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1804254841 UVGIOVSMXZSSEL-BJWYYQGGSA-N 460.531 2.002 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)[C@H](O)Cc1ccccc1 1804291700 VERCESLJIKNFGZ-NAIZPJRESA-N 452.507 2.058 10 20 JECD O=C(COc1ccccc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1806480937 VFZOGIJFYYZOBS-JTSKRJEESA-N 484.603 2.027 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cn3c(F)cccc3n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999263 KADJQDKSUDDYFR-QRQCRPRQSA-N 476.468 2.308 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)C(F)(F)c2ccco2)[C@H]1c1cccnc1 1814190037 PCBXUJNAHBEXSB-KSSFIOAISA-N 494.545 2.333 10 20 JECD O=C(Cc1ccc(F)cn1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1817543444 XTDYWUUXQSXUGH-OAHLLOKOSA-N 476.559 2.039 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc2nccn2c1 1818758053 PJTMIMDXHBYSPV-HNNXBMFYSA-N 483.579 2.224 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1)n1cncn1 1823713207 HIOWIFIYEFSUHY-MWLCHTKSSA-N 462.919 2.286 10 20 JECD O=C(O)CSCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717687 SNDBLXOHBLMXTM-HXUWFJFHSA-N 486.594 2.217 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccnc3c1OCO3)CC2 1828198378 YWDGZAKNUAIIGP-QSLRECBCSA-N 496.501 2.323 10 20 JECD COc1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1F 1828250018 NELXIASEVXYRGW-JTQLQIEISA-N 494.595 2.377 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)CCn2ccnn2)CC1 1832251684 UBIVBPOLDOFZNB-XZXOBPBMSA-N 469.542 2.118 10 20 JECD Cc1[nH]ccc1C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835132638 ANVKUHHFUJBMFG-UHFFFAOYSA-N 476.581 2.301 10 20 JECD Cc1nc(C)c(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)o1 1835942555 ZVQPGHDEXYZLSB-GQCTYLIASA-N 484.553 2.307 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)[C@@H]3CCc4ccccc4[C@@H]3O)CC2)CC1 1836740292 XZNOGIPRGVKJOR-RDGATRHJSA-N 495.576 2.401 10 20 JECD COC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1836918442 YCOUMCYKIQOXDS-NBUZRDOWSA-N 462.543 2.098 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)C(=O)c2ccco2)C1 1841953062 OREFFUCKZHNUHB-LJQANCHMSA-N 496.564 2.384 10 20 JECD CC(C)(C)OC(=O)NCCOCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c(O)c(Cl)c1 1847723314 ORXQAWXUQBCANA-IRXDYDNUSA-N 497.976 2.498 10 20 JECD CC(C)NC(=O)CN1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 726722095 MKYLYCQGGHDFEV-UHFFFAOYSA-N 453.534 2.109 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c3cn(C)c(C)n3)c2C)cc1F 727005722 FDLWWUVYNKNJJV-UHFFFAOYSA-N 476.530 2.288 10 20 JECD COC(=O)C[C@H]1C(=O)NCCN1CC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 746872092 OBOAFDHEKGQNMA-SFHVURJKSA-N 462.344 2.403 10 20 JECD O=C(COC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NC1CC1 913360359 BQTMJUDPRSAJTB-QPEQYQDCSA-N 455.355 2.472 10 20 JECD O=C(NC[C@@H](O)COc1ccccc1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 915080815 AJWMTBDHSQURFG-QGZVFWFLSA-N 487.490 2.271 10 20 JECD O=C(NCCN1CCN(c2ccccc2)CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 918212663 RJKKOCAMHVUQHV-UHFFFAOYSA-N 455.578 2.408 10 20 JECD O=C(Nc1cccc(C(=O)N2CCOCC2)c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918295167 NKIAOTXPYSFVLV-OAQYLSRUSA-N 467.522 2.011 10 20 JECD Cc1nc(-c2cccnc2)nc(O)c1CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918672392 JAIBKZLLMPPEFH-IBGZPJMESA-N 460.538 2.113 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3ccc(F)cc3F)cc2F)C[C@@H](C)O1 918904398 AKUQYZLKMUNOPP-HUUCEWRRSA-N 493.482 2.307 10 20 JECD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 920036262 FETMCISUUMWJQT-BNHFJAFVSA-N 494.567 2.206 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc2c[nH]nc12 1777852851 XXSFYCBSWZRGRC-HOYKHHGWSA-N 465.510 2.119 10 20 JECD Cn1ncc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1Cl 1779929487 PTASOANXKANRGH-RYNBQMKOSA-N 490.944 2.031 10 20 JECD Cc1ccn2c(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)cnc2c1 1782487705 IISYOMFIPUMWJZ-HSZRJFAPSA-N 470.913 2.465 10 20 JECD C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2)Oc1ccccc1 1782879547 LDUFFZQMZWNLIR-NFQMXDRXSA-N 490.560 2.467 10 20 JECD CC(=O)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1783188056 BHQJCLMSNROGOF-VWLOTQADSA-N 452.555 2.064 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)C1CCN(c2ccccc2)CC1 1784017547 XGFAJVFEHNIZDE-NYVOZVTQSA-N 480.565 2.003 10 20 JECD C[C@@H](Cc1ccco1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510666 WTJUNHIKIAUJBJ-HZVYXHIASA-N 456.495 2.118 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4cccnc4n3)C[C@@H]21 1792218909 DVXDDOAHWQDGCL-URZAVPNBSA-N 490.516 2.053 10 20 JECD C=C(Oc1ccccc1O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1796433836 ZKRWCOHAOZNXEN-YVWYUNDQSA-N 474.897 2.253 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1csc(Br)n1)c1cc(O)nc(O)c1 1797171591 YYJFFSJFLQCRQJ-JGPRNRPPSA-N 453.318 2.277 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2cccn2)nc1 1798901194 GSPHIZZWNGKNED-BAKRUHSUSA-N 475.505 2.349 10 20 JECD C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)Oc1ccccc1 1800339575 FFCAHJKCJZDOII-FDTRYVBHSA-N 490.560 2.227 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3Sc4ccccc4[C@H]31)C2 1802079560 KLCPMEBGYBORDO-BJFZQBLGSA-N 494.569 2.294 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2nnsc2C2CC2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993410 KHTXMQQBXXOICI-AUUYWEPGSA-N 466.523 2.250 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)c(F)c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001734 WWBMBPCKMCSNIN-BTYIYWSLSA-N 452.442 2.366 10 20 JECD Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(C(F)F)n1 1808844403 WWWLLVHCTPCYOR-ORAYPTAESA-N 472.452 2.192 10 20 JECD N[C@@H](Cc1cccnc1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811804626 ZFXNBRPKDBGWMT-RBDMOPTHSA-N 495.967 2.431 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cccs2)[C@@H]1c1cccnc1 1814186689 VYFHCQRCKKBMCE-KBXCAEBGSA-N 460.606 2.323 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C1CCOCC1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817362761 VTEIJFCAGZWXAH-HNNXBMFYSA-N 467.551 2.275 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3nc[nH]c23)[nH]n1 1823498995 ZCQXVNXBDGEXAM-HNNXBMFYSA-N 483.579 2.452 10 20 JECD CC(C)CNC(=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1827709386 ZAMGMUPJDXIWRS-XSBJJCPUSA-N 473.570 2.209 10 20 JECD CC(C)CNC(=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716556 RDQPGOUDYJVQSY-JOCHJYFZSA-N 481.597 2.171 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828250660 ZTKKBTYBAMSUCF-QWHCGFSZSA-N 490.632 2.383 10 20 JECD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1831814695 FWYIVORVSKAVDD-VAMGGRTRSA-N 471.554 2.482 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1cnsn1 1833978635 VHUFGDHPQSGJIG-UHFFFAOYSA-N 465.963 2.102 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)[C@H]1CC1(F)F 1835449009 LEXNABKLPRRLFJ-LJQANCHMSA-N 473.524 2.006 10 20 JECD COc1cncc(CCC(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1842027953 YIEZIMNSWMEVCG-VMPITWQZSA-N 453.495 2.056 10 20 JECD COCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1847477037 DAZODZYCAIHZME-QYZOEREBSA-N 491.585 2.162 10 20 JECD CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)cc1 746234559 MOCNBIWMQWWRFF-UHFFFAOYSA-N 450.499 2.183 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 916625686 PAIPXZQDXABKHH-UHFFFAOYSA-N 484.651 2.337 10 20 JECD CCOc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2=O)cc1 917831828 AYMLZVJVVCVTRJ-PMACEKPBSA-N 464.566 2.456 10 20 JECD CNC(=O)[C@H]1CN(C(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c2ccccc2O1 918250922 WYFIMKOCABUQKU-HSZRJFAPSA-N 460.534 2.293 10 20 JECD CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 919779739 XDYKGCQTCBBYKW-HNNXBMFYSA-N 450.536 2.131 10 20 JECD Cc1cc(NC(=O)[C@H](C)SCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)no1 919971729 UUKLUUITVFHUBK-AWEZNQCLSA-N 450.536 2.460 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(C)C(=O)CC4)[C@H]3C2)cc1 1784983199 JCQLXMVXNJQQAE-SSPYTLHUSA-N 491.592 2.296 10 20 JECD Cc1nc2cccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)c2s1 1787869823 MGDJESAWTXRRQQ-OWQGQXMQSA-N 468.535 2.318 10 20 JECD Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c(C)n1 1791499780 DPOZJFNGSAOSTD-BZFNVKQFSA-N 495.576 2.441 10 20 JECD COc1cc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)ccn1 1794165802 FRYYFFFRLJEZEL-NUZGMZIFSA-N 475.549 2.454 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc[nH]1 1795068728 ZVERJDYCOQSBBM-MHORFTMASA-N 499.568 2.209 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cccc2c1OCCO2 1796962493 IQFOBQKTZGPORA-HBCWATKFSA-N 474.897 2.039 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)nc1)C2)c1cc(O)c(O)c(Cl)c1 1799766860 AWMWDGBKHWNUMS-FVCICTRLSA-N 452.294 2.317 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)c(F)cc1F)C2 1802079575 KPXOJEUSARIMMV-YXGXIAIWSA-N 478.423 2.137 10 20 JECD CN(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)nc1 1804283969 SAKBPGZRFPYWDR-FUEIOIHSSA-N 452.511 2.230 10 20 JECD Cc1cccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1806568807 WJODSUHRQNBBBD-CVDCTZTESA-N 482.631 2.499 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2c[nH]nc2c1 1808050193 GQJYDMNGZMQCCG-VGSWGCGISA-N 458.478 2.398 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)CC2)C1 1810547115 OYVLOTBTOJGRRF-QHCPKHFHSA-N 466.494 2.072 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3ccccn3n1)CC2)c1cc(O)nc(O)c1 1816725890 RQSULRHCWSDNEJ-LBPRGKRZSA-N 450.480 2.137 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCCO1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817356788 CXWVFNPCIMACAB-KSSFIOAISA-N 467.551 2.417 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817846369 UKOPDGOAHPRUPW-CJNGLKHVSA-N 451.487 2.417 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2)N1C[C@@H]2C[C@H]2C1 1819582350 ZZQLDAAPNVHNQA-PEQKJJCOSA-N 484.578 2.226 10 20 JECD O=C(/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)NC1CC1 1827716205 FNTCOFATXJMJPG-DGVDTQEHSA-N 491.592 2.234 10 20 JECD Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)on1 1828195565 QXSGQDHVPLKKQF-MXPWBENCSA-N 470.507 2.424 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1829162355 IEMKVIHDMYDXBG-IBGZPJMESA-N 493.524 2.344 10 20 JECD CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1830402074 YDHZZXCLOUNORP-BDJRERGKSA-N 471.554 2.057 10 20 JECD O=C(c1cc(Cl)ncn1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901126 NTBHWSDDUMIFNX-OAHLLOKOSA-N 482.031 2.224 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1ccnc(F)c1 1833590549 HOTUVGQHVSRDEW-DUXPYHPUSA-N 484.528 2.236 10 20 JECD CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1Cl 1836231174 PIFJKKDGAMKXLQ-OAQYLSRUSA-N 499.351 2.074 10 20 JECD CC(C)(C)n1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cn1 1837277394 LLDONRNUNZWGCQ-UHFFFAOYSA-N 471.558 2.370 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)[C@H]3CCOC3)CC2)CC1 1838688599 OPWBBPVQPDEKRQ-AWEZNQCLSA-N 452.935 2.400 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCO4)C3)C2)cc1 1839348126 CFYIYEIVAONGSY-ZEQKJWHPSA-N 467.566 2.343 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)C(C)C)C3)C2)cc1 1839348772 LEHDIAOSWRJGNA-BVAGGSTKSA-N 469.582 2.181 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)c3ccco3)C2)C1 1839433104 LGVPROROMBMBPI-FQEVSTJZSA-N 486.855 2.206 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)n2cncn2)CCO3)cc1 1840420430 KNULCMQVCQURBY-RLWLMLJZSA-N 492.580 2.017 10 20 JECD COc1ccc(CN2C[C@@H](C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2=O)cc1 726502029 BSSAFSKRXBPPOT-SFTDATJTSA-N 464.566 2.062 10 20 JECD CS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 728819552 YFTQNPJADURAET-HNNXBMFYSA-N 494.411 2.484 10 20 JECD CCOc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1S(=O)(=O)N1CCOCC1 729551535 XILCPHMFCIULNT-UHFFFAOYSA-N 465.528 2.142 10 20 JECD CCOC(=O)c1cccc(S(=O)(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 749254292 CVOSLOHPZONWMD-UHFFFAOYSA-N 461.584 2.363 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 749629448 YOYKFNRAFDNAGT-UHFFFAOYSA-N 459.568 2.280 10 20 JECD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCN(CC(=O)N2CCCC2)CC1 914440067 VPFVSVHCRSESKV-SDXDJHTJSA-N 492.692 2.496 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 916667657 RYVNTYGPYHYFMU-UHFFFAOYSA-N 488.610 2.238 10 20 JECD Cc1nc(COc2ccccc2C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)no1 918926173 AEFDXAWTUBVZCH-UHFFFAOYSA-N 484.484 2.406 10 20 JECD COc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1S(=O)(=O)NC1CC1 919971425 XOAJKWUQFFXQKJ-UHFFFAOYSA-N 477.558 2.166 10 20 JECD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 920880474 AVDIFKLOXRQNLN-MRXNPFEDSA-N 476.599 2.406 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3[nH]ccc3s1)C2)c1cc(O)nc(O)c1 1777848155 LOZIMYGJNMIUPY-VGOFRKELSA-N 456.524 2.477 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1779331358 XCSVKIIMBDCLHH-JLCFBVMHSA-N 460.918 2.090 10 20 JECD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc(C(F)(F)F)c1 1782142706 ABXZZEAFMKNRNR-OAQYLSRUSA-N 481.427 2.278 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1F)C2 1783221912 ABDIWUDPUPECMX-OFAFLBDBSA-N 471.485 2.178 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccc3F)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539007 DEKVLZYQHRHBDZ-LEDOBFOHSA-N 478.524 2.141 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccoc1C(F)(F)F 1787593356 RYBKYNNYVFLSGT-BPNCWPANSA-N 455.389 2.012 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cc2c[nH]nc12 1790364201 YGKZPLNXWSBXPY-KWRASICWSA-N 492.532 2.295 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4ccco4)no3)C[C@@H]21 1792219251 MYZHFHXRYKKTRU-UKRQBTJHSA-N 495.488 2.358 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc2scnc2c1 1797492641 UCOXGISVYNMVNK-GPVSGQMNSA-N 489.557 2.292 10 20 JECD Cc1nn(C)c(C)c1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1803003610 XCISMPULVYSCRO-VYMNDLDVSA-N 454.527 2.048 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1 1806047725 PZWDMYVGWKJKGR-CQSZACIVSA-N 472.991 2.277 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1ccc(O)cn1 1806105058 FBLBASCZSJFATI-HOYKHHGWSA-N 484.516 2.295 10 20 JECD CCc1noc(C)c1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807995539 RADQBYWHDYDJKO-YCRPNKLZSA-N 451.483 2.380 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccncc2O)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808467981 LXKSUOPWFZFPGK-KOSHJBKYSA-N 484.516 2.295 10 20 JECD C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)O1 1809563185 ZNVBRAXTOBSQLV-CSNGIIGGSA-N 467.522 2.485 10 20 JECD Cn1cc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)cn1 1811808898 FXDHDQQOZXISBC-KKSFZXQISA-N 469.929 2.442 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccc(O)nc2)[C@H]1c1cccnc1 1814164270 XFPFWEXHGRBSES-JFWNXEFNSA-N 476.489 2.332 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2nc3ccccc3[nH]2)[C@@H]1c1cccnc1 1814188877 CUEXFASTSLXKLR-MGPUTAFESA-N 494.602 2.138 10 20 JECD CC[S@@](=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362216 QWQNIXGZKOGKRB-LHRCYKKBSA-N 487.607 2.007 10 20 JECD Cc1nnc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)o1 1823475264 MLOIEDBAVCAKOZ-PMGBHYCQSA-N 468.470 2.166 10 20 JECD O=C(c1cc2ncccn2n1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427738 RMCSKACJAQIXOG-SFHVURJKSA-N 450.499 2.083 10 20 JECD CCOC(=O)O[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899340 FCNMQRNCOIBVTH-GDBMZVCRSA-N 485.628 2.028 10 20 JECD Cc1cccnc1C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1833577787 FNRZVLXGWCZGSD-FNORWQNLSA-N 480.565 2.405 10 20 JECD CCn1nc(C)cc1C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1834985334 KKGWSXPFKOBBEE-FNORWQNLSA-N 497.596 2.227 10 20 JECD Cc1n[nH]c(C)c1C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835132754 KSBJPXLKUSDCJO-UHFFFAOYSA-N 491.596 2.005 10 20 JECD Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c(F)c1 1836428680 FSKXGJRLZZNHNB-UHFFFAOYSA-N 456.518 2.439 10 20 JECD Cn1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)cn1 1837469323 LPCBMMCFIQKUGC-UHFFFAOYSA-N 462.934 2.411 10 20 JECD O=C(Cc1cccnc1Cl)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843440843 DSLWFOFTHHXYSY-UHFFFAOYSA-N 451.914 2.274 10 20 JECD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441159 PUNCMPQUVZFVRS-UHFFFAOYSA-N 479.468 2.273 10 20 JECD Cc1cc(Br)sc1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055341 HYSPAXZSWDTTBX-UHFFFAOYSA-N 488.454 2.496 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CCOc3ccc(S(N)(=O)=O)cc3)cc2F)C[C@H](C)O1 726380788 DRXILCLWEJKTOD-HOTGVXAUSA-N 465.547 2.172 10 20 JECD O=C(Cn1nnc(-c2ccccc2)n1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 727109940 PINYVYUNYULNIC-WQRHYEAKSA-N 494.558 2.086 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)c1 729063098 YBKZGXJKINCDHO-ZDUSSCGKSA-N 461.902 2.343 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2C)cc1 845929430 UPJKQLZOWFOGFJ-MQQADFIWSA-N 490.512 2.414 10 20 JECD Cc1cc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1-c1ccc2c(c1)OCCO2 845930667 ASBHOVREEPSMDX-WAJMBDEPSA-N 490.512 2.398 10 20 JECD CN(CC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccccc1 915006762 DVLFHQYCGMDURG-UHFFFAOYSA-N 492.509 2.264 10 20 JECD O=C(COC(=O)c1sccc1-n1cnnn1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 915046539 BIMDYHUNHQSYEP-UHFFFAOYSA-N 459.443 2.295 10 20 JECD CCn1cnnc1-c1cccc(NC(=O)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 915744696 RJJLMXYPPCKBOG-UHFFFAOYSA-N 491.596 2.241 10 20 JECD COCCCn1c(O)nnc1SCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917184438 GERNFLFDCFSWFE-GASCZTMLSA-N 467.567 2.181 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CSc3nnnn3Cc3ccco3)cc2F)C[C@@H](C)O1 917205408 GDFODTCHOCMQRX-HUUCEWRRSA-N 460.535 2.476 10 20 JECD COc1ccc2c(ccn2CC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 919168277 NGDPJUFWSYMICI-UHFFFAOYSA-N 455.486 2.485 10 20 JECD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 919840193 CKYXXGPMHAHCNL-UHFFFAOYSA-N 477.608 2.348 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1noc3ccccc13)C2)c1cc(O)nc(O)c1 1777848455 UQNRKPKQKXKCET-NTKDMRAZSA-N 466.494 2.004 10 20 JECD CCc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)nn1C 1779909635 YZFVEUHQUPXSRY-AUSIDOKSSA-N 476.961 2.488 10 20 JECD CC(C)(C)OC(=O)C(C)(C)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1780523938 KAKCAUZQUBVZRT-CRICUBBOSA-N 491.585 2.378 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1782005416 DUCHRPULFTVGLZ-FQEVSTJZSA-N 462.915 2.218 10 20 JECD Cc1c(Br)ccc(F)c1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1782080528 WIPLQSXLEHADOB-NRFANRHFSA-N 494.317 2.460 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)n4cncn4)C3)C2)cc1 1784477590 UIVGMPYSNIEUEV-NLFFAJNJSA-N 462.554 2.390 10 20 JECD COc1cncc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)c1 1785268360 XURAZVVAAWMSTP-XERREHJYSA-N 489.956 2.381 10 20 JECD O=C(/C=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1785364402 FOPLDXIDYGTBKU-CSVVQVJSSA-N 462.506 2.065 10 20 JECD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c(F)c1F 1796482769 YAKNPUGPXYUYIS-RSQQPWMTSA-N 482.487 2.269 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1scnc1C(F)(F)F)C2 1802081418 UTKCALVIMZZVSH-RVKSUISCSA-N 499.467 2.195 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1cn2ccsc2n1 1804286202 OFDPNQXSZIXNBC-BPQKRJORSA-N 454.508 2.478 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cc2cc[nH]c2cc1F 1804335803 HCBJSLQPFIZYBV-BTTYYORXSA-N 460.556 2.419 10 20 JECD CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cn1 1805338402 KUDLZUQKVNPJNA-IIBYNOLFSA-N 483.619 2.219 10 20 JECD Cc1nc(C)c(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1805546418 JEHCHGNNHNEZDE-MAUKXSAKSA-N 489.648 2.335 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccon1 1806000945 WDUKGEQAZHXZAT-PEOKUMBASA-N 450.451 2.219 10 20 JECD CN(C)c1cccc(OCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1807993204 GEXKCGCRFZPHHM-CJAUYULYSA-N 491.548 2.352 10 20 JECD CC(=O)CCC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808467293 FITKUYKSGFXIBR-YADARESESA-N 461.522 2.250 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccc(O)nc2)[C@@H]1c1cccnc1 1814164273 XFPFWEXHGRBSES-VTDTYKJDSA-N 476.489 2.332 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2sccc2F)[C@H]1c1cccnc1 1814184982 JUGDWKSVDGQTSG-DYVFJYSZSA-N 478.596 2.462 10 20 JECD COc1ccc(CCC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cn1 1816722199 UJUBFZWLQPERCY-CQSZACIVSA-N 469.523 2.212 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3nc[nH]c3c1)CC2)c1cc(O)nc(O)c1 1816726786 ZQWSVGQHCRHWTA-LBPRGKRZSA-N 450.480 2.365 10 20 JECD CC(C)n1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n1 1817362685 TYOAOJCAHDNNNQ-CQSZACIVSA-N 492.565 2.334 10 20 JECD Cc1cnn(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)c1 1818146682 XIVRDUJBMGFBTL-HXUWFJFHSA-N 474.525 2.400 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)C1 1818819003 KFXPACTVJJMZHE-INIZCTEOSA-N 486.529 2.389 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc(F)nc1 1819697034 WICWAEDLWJRXOB-CYBMUJFWSA-N 462.532 2.110 10 20 JECD COc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)ccc1O 1820586689 XAVAIJDIFVSJHN-AWEZNQCLSA-N 489.579 2.290 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc2cccnn2c1 1821497963 QZRSGZIMEIDIKT-MRXNPFEDSA-N 483.579 2.224 10 20 JECD Cn1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c2cccnc21 1823500021 KHIZIJPWNVZEEE-MRXNPFEDSA-N 497.606 2.463 10 20 JECD C[C@H](Oc1ccccc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1825413339 BAPWTLMGYHYEOT-QWHCGFSZSA-N 490.632 2.383 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1826806880 TYAIDDFCYIENSU-DGCLKSJQSA-N 455.496 2.038 10 20 JECD CC(=O)Nc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)cc1 1827730805 LYGYZZJUKWQOTJ-OAHLLOKOSA-N 467.507 2.447 10 20 JECD C[C@@H](CS(C)(=O)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876979 QAAFQTBKFAVJTC-ZGBSRSTJSA-N 494.610 2.117 10 20 JECD O=C(O)CSCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878236 GSGLMYNJOXAEBZ-QQOXCAACSA-N 478.567 2.254 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ncc(F)cc3F)CC2)CC1 1836985701 NROCAWFLASBEGE-UHFFFAOYSA-N 462.453 2.092 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1838032161 BELNTEKSUBANAX-UHFFFAOYSA-N 482.537 2.377 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1844508494 RHLAPTUBEUIWAT-UHFFFAOYSA-N 474.443 2.049 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1846841674 MOUIATVGEFEUKT-UHFFFAOYSA-N 459.506 2.255 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(Br)cn1 1848244197 MVTLANKVOUONPZ-TWKUEOEHSA-N 488.338 2.419 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)c1 729062856 FWNLDVZHVVCAET-HNNXBMFYSA-N 488.566 2.468 10 20 JECD COc1ccc(-n2c(C)cc(C(=O)NS(=O)(=O)c3ccc(CNC(N)=O)cc3)c2C)cc1 744951890 BPRMDLPHJPFLDD-UHFFFAOYSA-N 456.524 2.390 10 20 JECD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)C[C@@H](C)O1 747561609 QGVAXDJSIZIQCP-RTBURBONSA-N 452.555 2.392 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)Cn3c(-c4ccc([N+](=O)[O-])cc4)noc3=O)cc2F)C[C@@H](C)O1 750959517 LBKJTMBANURXDA-GASCZTMLSA-N 485.472 2.481 10 20 JECD O=C(COC(=O)CCNS(=O)(=O)c1cccs1)Nc1cccc2c1C(=O)c1ccccc1C2=O 800960581 VZHVVQRWJGGLSW-UHFFFAOYSA-N 498.538 2.374 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CC2)cc1 849194473 OKFCVVBLCQNUEI-UHFFFAOYSA-N 465.466 2.295 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 914505403 DMUMNKJFXQYIDM-UHFFFAOYSA-N 462.616 2.382 10 20 JECD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(N2CCSCC2)cc1 917385662 JYLRGGYQTHNJJA-UHFFFAOYSA-N 491.635 2.199 10 20 JECD COc1cccc(/C=C(\C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n2nnnc2C)c1 917834009 GGMFERDRJBITHZ-RXULLKCLSA-N 475.553 2.006 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 917919228 WIWTUUAOISLTEY-GJZGRUSLSA-N 494.541 2.491 10 20 JECD O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918296698 YWYZFIFDMKPECZ-HXUWFJFHSA-N 465.506 2.188 10 20 JECD NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)NCc3ccc(N4CCSCC4)cc3)c2)CC1 918440874 WQTOADOIGHZRHA-UHFFFAOYSA-N 495.649 2.192 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CCC(=O)c3ccc4c(c3)OCCO4)nc12 918789205 RFBLWVZQNBELSS-UHFFFAOYSA-N 455.423 2.089 10 20 JECD COCCCC(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 919357482 OYXUAUUMIHXSAE-UHFFFAOYSA-N 478.567 2.268 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 919914524 IDRWZOXBXNIVKU-UHFFFAOYSA-N 458.584 2.422 10 20 JECD C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)c1ccc(N2CCOCC2)cc1 920881713 XHGOGGLLBORMCK-YWZLYKJASA-N 458.946 2.028 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnc3c(O)cccc13)C2)c1cc(O)nc(O)c1 1777850985 PGEJERNNZQDMGE-KBMIEXCESA-N 478.505 2.188 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4cccnc4n3)C2)C1 1778433600 PTNSLVVBQXHJJE-HSZRJFAPSA-N 468.897 2.452 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(C(F)(F)F)ccn1 1779795713 BROGTCULFVMZNK-IIBYNOLFSA-N 480.443 2.348 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781539998 HJHQOWSSOBHQLG-OAQYLSRUSA-N 477.857 2.122 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSc1ccccc1)C2 1783245793 CCQSYGAWKQSLOD-VGOFRKELSA-N 493.676 2.153 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)cc1 1784037972 HHRQDVLMCMPFQK-RLWLMLJZSA-N 464.566 2.064 10 20 JECD COc1ccc(F)cc1CC(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1784088414 DQMJKAXPBMLJMU-UDFXQGOISA-N 486.496 2.037 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cncc(C(F)(F)F)c1)CCO2 1785506689 FBUFPVBLEJKMFQ-WYAMSBGYSA-N 493.438 2.374 10 20 JECD CCOc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1O 1785510312 VHRXPXUVIGZODN-CFSVISAESA-N 484.505 2.065 10 20 JECD N[C@@H](Cc1cscn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2 1796746795 CRJAGTVFMXTMDE-AEIGPULVSA-N 450.948 2.030 10 20 JECD Cc1cc2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)c2[nH]1 1796984587 REZGXUWORVTXFH-NHKMSHSESA-N 485.544 2.472 10 20 JECD Cc1cccn2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)c(O)c(Cl)c3)c12 1799768440 ZMABZUJIBJAAFF-CCWDJLKJSA-N 470.913 2.224 10 20 JECD Nc1ccccc1/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799770821 KKSZFGHJMQXQLM-CTSHNCOSSA-N 457.914 2.250 10 20 JECD C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1800369303 VEHVAVKCOVACGK-NRGSMNHXSA-N 492.551 2.387 10 20 JECD Cc1cncc(CCC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1804520106 VTSSCTYEFXSMSC-AUSIDOKSSA-N 497.646 2.284 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(F)nc2F)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993292 VPLCVLPYKVQZEY-ORAYPTAESA-N 455.421 2.194 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cn2ccccc2n1 1809049385 QUFYQXQQCLWAIJ-AOMKIAJQSA-N 458.478 2.169 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810547083 OBVRQEAZZKHUPB-UHFFFAOYSA-N 467.448 2.404 10 20 JECD Cn1cccc1C(=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1822866327 ODBWGWGQCYPWMI-LJQANCHMSA-N 487.520 2.416 10 20 JECD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)C1(O)CCC1 1823739822 WDTDPJQTORVHAL-DOTOQJQBSA-N 467.657 2.018 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc4cccnc4nc3O)sc2C1)c1cc(O)nc(O)c1 1823985060 MZGMVUNKSLNYEN-GFCCVEGCSA-N 478.490 2.138 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccnc4ncccc34)sc2C1 1824097500 DLRQXWAIYVIURV-LLVKDONJSA-N 498.615 2.172 10 20 JECD CCN(C)[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1824464522 NABSVGBJEKRGQK-FVVXQEQBSA-N 460.556 2.226 10 20 JECD CC[C@@H](NC)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715336 LPODKLOYQUSQEM-IFMALSPDSA-N 453.587 2.397 10 20 JECD O=C(Cn1ccnc1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715391 MUVVIGCJPAAQAZ-QFIPXVFZSA-N 462.554 2.296 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716196 FBOYMOYDHRFVLI-GCJKJVERSA-N 479.581 2.090 10 20 JECD Cc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)cn1 1828194988 GBULHULUALZYHF-UFZAZABTSA-N 467.507 2.298 10 20 JECD CO[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)c1ccccc1 1828242234 FOZWARUPIPOUQG-FZKQIMNGSA-N 490.632 2.303 10 20 JECD COc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)ccc1F 1828248812 ACIJAWPSBCVTTL-NSHDSACASA-N 494.595 2.377 10 20 JECD N[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cccc(Cl)c1 1834731213 BJTHFCOLPGSVFN-QFIPXVFZSA-N 487.988 2.031 10 20 JECD CC(C)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)no1 1839431923 WMPBDCNEBZRFMN-JOCHJYFZSA-N 479.917 2.246 10 20 JECD O=C(CCc1cccc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432972 CMADNCRJCOORDW-XMMPIXPASA-N 490.940 2.160 10 20 JECD Cc1cc(C)nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1 1839433990 IDEIBEZLYHANPD-HSZRJFAPSA-N 475.929 2.147 10 20 JECD Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1839715820 YPMXEQNTEMSEAI-MHZLTWQESA-N 491.592 2.369 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)c2ccco2)C1 1841070120 CENVIUXBKVITDG-CTNGQTDRSA-N 498.580 2.235 10 20 JECD CN(CC(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)C(=O)OC(C)(C)C 1842767447 KJVLMKBCFPXUTK-UHFFFAOYSA-N 453.923 2.435 10 20 JECD C[C@@H](C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1)n1ccnc1 1843330546 FKPKXCNEHMYGIO-GHTZIAJQSA-N 496.612 2.366 10 20 JECD O=C(C1CCN(c2ccccn2)CC1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442701 VGEVXQPNVVIZCT-UHFFFAOYSA-N 486.576 2.294 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC(c2ccccc2)=NO1 1847766438 FRROVBKKCWKINZ-DRVZTHGNSA-N 463.490 2.212 10 20 JECD COc1ccc(N2CCC(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 110354651 MTKJHPOWPFAHFB-UHFFFAOYSA-N 473.595 2.423 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCc3ccc(CN4CCN(C)CC4)cc3)CC2)cc1 916196340 BGSBAZXMPSRTTL-UHFFFAOYSA-N 494.684 2.454 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(=O)Nc1cccnc1-n1cccn1 918278117 SVADJSHCGVSHLQ-UHFFFAOYSA-N 474.443 2.378 10 20 JECD CCCNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 918442425 GZQYWZRPNGKTPP-UHFFFAOYSA-N 452.555 2.290 10 20 JECD Cc1nc(-c2ccccc2NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)no1 918464501 ARMNGVSXKFDGQN-QGZVFWFLSA-N 462.510 2.002 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cnn(-c4ccccc4)n3)cc2F)C[C@@H](C)O1 918992449 PSBJCMKSRPETER-CALCHBBNSA-N 467.501 2.493 10 20 JECD CC(C)CN1C[C@H](C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1=O 919076274 CMXUGEJHMJBIEA-ZHALLVOQSA-N 463.550 2.103 10 20 JECD COc1ccc([C@@H](NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)C(C)C)cc1 920636404 UDCPDHRZHXMABL-FQEVSTJZSA-N 450.513 2.443 10 20 JECD Cc1c(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cccc1C(=O)N1CCOCC1 920924704 DNCBCZBKGBEHBP-LJQANCHMSA-N 480.565 2.120 10 20 JECD C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)NC(=O)OC(C)(C)C 1782003007 YUSYDIGUHAKANC-FATZIPQQSA-N 497.976 2.498 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004545 ZZSBTWHVWAVVOQ-LFVRLGFBSA-N 497.976 2.356 10 20 JECD O=C(NCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)c1ccccc1 1782007511 JVUBRKRQPOYGAL-XMMPIXPASA-N 487.940 2.015 10 20 JECD O=C(CCc1ccc(F)cc1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1782031432 DCRLWOVMLCFXIR-WZONZLPQSA-N 493.626 2.133 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnc(O)[nH]4)[C@H]3C2)cc1 1788955945 BYXPACPCDWRXRK-VCOUNFBDSA-N 463.538 2.430 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOC4=O)C[C@@H]32)cc1 1790124268 IUVHYXHAUCCOLG-PMVMPFDFSA-N 480.565 2.140 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)c3)C[C@@H]21 1792218203 LMHOARGXHHCNCL-AXQFQNRHSA-N 456.470 2.249 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3nc4ccccn4n3)CCC2)cc1 1792313760 BYQJRILSGJEPJS-UHFFFAOYSA-N 480.575 2.337 10 20 JECD CN1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1793873709 GZVHFQOEWQNHKR-KCSJKLDESA-N 499.656 2.437 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2)c1cc(O)nc(O)c1 1796137577 LDMYDQZDBPVREE-PWDZPPDVSA-N 457.914 2.153 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2c(c1)NC(=O)CS2 1801078579 AOKJJVJTRUUAJH-KOTZLPFRSA-N 496.545 2.208 10 20 JECD Cn1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)ccc1C(F)(F)F 1802080211 NUMPGWAZOUFTCN-NQAQCJMWSA-N 495.454 2.077 10 20 JECD Cc1cnc(Cl)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1 1802081293 PEZWBGGFYNPGHC-VBUUTPMESA-N 473.913 2.077 10 20 JECD Cn1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc2c[nH]c3nccc-3c21 1804335781 FQIIMLDPMJFHSD-QDMKHBRRSA-N 496.618 2.118 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1ccc[n+]([O-])c1 1804784741 OPQHTYNHTMUKQY-MGPUTAFESA-N 468.897 2.413 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cnc1C 1804809208 XNWPMGDFOUWQCZ-UTKZUKDTSA-N 483.619 2.273 10 20 JECD CO[C@H](C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccc1 1806795432 YLSBDVIZPZCQNQ-NYVOZVTQSA-N 498.630 2.335 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(Cl)cnc2O)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993325 WMMPELBDSKTFQK-YJYMSZOUSA-N 469.885 2.275 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(-n3ccnc3)ccn2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994628 KCUWOZFCLCSUJZ-SBUREZEXSA-N 485.504 2.102 10 20 JECD Cn1c(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)cccc1=O 1807996306 PLTVEUHKLUKBRE-VQHVLOKHSA-N 467.522 2.060 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1807998239 BJJFIMABXYHQJR-UUOWRZLLSA-N 499.531 2.410 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2CCC(O)CC2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470889 ZSTQGASKTOSZGJ-NQRRVNEBSA-N 489.576 2.431 10 20 JECD Cc1nc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)c(=O)[nH]c1C 1811797096 AYYVCLZMMJMVMK-YWZLYKJASA-N 497.939 2.480 10 20 JECD COc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccc1O 1811942710 LNPPDGYMGNHRHA-AOMKIAJQSA-N 464.478 2.235 10 20 JECD CCc1ccnc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1 1816057944 UFCWXKKCBPRLRM-GFCCVEGCSA-N 475.621 2.187 10 20 JECD C[C@@H]1CCc2c(C(=O)N[C@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)n[nH]c21 1816724703 BKTWKOUTRAJAKZ-KOLCDFICSA-N 454.512 2.262 10 20 JECD CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362793 VZEOWANKGNBIGI-MNVSYLFESA-N 468.583 2.221 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2)N1C[C@H]2C[C@@H]2C1 1819582355 ZZQLDAAPNVHNQA-ZVLRESRHSA-N 484.578 2.226 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc(F)c2)[nH]n1 1823497447 VZAFZASKIUOZGD-CYBMUJFWSA-N 462.532 2.110 10 20 JECD CN1CCN(CCC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)CC1 1823708486 BTEAXIZORYQAEC-CQSZACIVSA-N 494.017 2.071 10 20 JECD Cn1ccc(=O)cc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823712561 OFWLASNXWVPNJZ-LLVKDONJSA-N 474.926 2.446 10 20 JECD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1824176730 RGGXAECCSVVHLW-KURKYZTESA-N 495.667 2.056 10 20 JECD COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cn1 1824743566 YDBRCGDOGJLYPA-KRWDZBQOSA-N 476.624 2.184 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1c[nH]c3nccc-3c1)CC2 1828242611 ONMYWSZCIXNKGZ-LBPRGKRZSA-N 486.604 2.057 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCCC1(F)F)CCO2 1831723761 QDBPJIZIUVNHLU-UPTLPTDJSA-N 496.507 2.099 10 20 JECD CN1C(=O)CC[C@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878102 DCIAQUGIPXZFPS-APTSRADASA-N 471.554 2.057 10 20 JECD O=C(COc1ccc(O)cc1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896509 KBWGCLYUTUMACE-IBGZPJMESA-N 491.635 2.251 10 20 JECD C/C=C(\C)C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836525231 ADOILXBNPXFDNY-JFQJCAQQSA-N 451.571 2.317 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc3cnccc13)CCO2 1838465373 USIZTABITIWIAO-XMMPIXPASA-N 498.923 2.078 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)n2ccnn2)CCO3)cc1 1839710572 NMETVEBBZWVRIY-LVXARBLLSA-N 492.580 2.017 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccoc4c3)C2)C1 1840881181 HNQHNYFYQKNYJN-CKUSHTOWSA-N 494.500 2.333 10 20 JECD CN(CC(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)C(=O)c1ccccc1 1841523114 XGISFLCRSLZSTB-UHFFFAOYSA-N 457.914 2.340 10 20 JECD CC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251606 KYMAJVRZKSTBTG-SFHVURJKSA-N 489.569 2.106 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1847037926 XDLGEPJMWNKRAS-DBWMJRBXSA-N 487.553 2.277 10 20 JECD CCS(=O)(=O)N[C@H](CCSC)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 226940152 CKYXBUCVVGSAIT-RLFYNMQTSA-N 461.625 2.117 10 20 JECD COCCN1CC[C@H](NC(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)C1 730787704 PSRKCWSYSNJZEM-BMANGOCTSA-N 484.441 2.487 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3cc(NC(C)=O)cc(NC(C)=O)c3)CC2)cc1 742927320 OFHUPLJNTUXEQT-UHFFFAOYSA-N 453.543 2.164 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC3CCN(Cc4ccncc4)CC3)cc2)C1 918013834 ACUFRERXRLLCSP-OAQYLSRUSA-N 450.587 2.247 10 20 JECD CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 918443559 DCZSBHGXOSLDAI-UHFFFAOYSA-N 451.932 2.427 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(-n4nnnc4SC)c3)CC2)cc1 918462152 SKBSNLVQDCHKKU-UHFFFAOYSA-N 467.555 2.070 10 20 JECD CCc1ccccc1N1C[C@H](C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1=O 918949644 ORHJARNEVXIFBO-HXUWFJFHSA-N 483.540 2.437 10 20 JECD CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)ccc1F 919878570 RJRCYYJMCLLHND-UHFFFAOYSA-N 483.587 2.390 10 20 JECD C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N(C)CCOc1ccc(Cl)cc1 920636721 YOIXCJYNAYSPKA-CYBMUJFWSA-N 470.931 2.500 10 20 JECD CC(C)(C)OC(=O)NC(C)(C)c1noc(COC(=O)c2cc(NS(C)(=O)=O)ccc2O)n1 920638231 UKOWVNQOISDFKL-UHFFFAOYSA-N 470.504 2.264 10 20 JECD COC(=O)[C@@H](C)NC(=O)c1ccc(N(C)Cc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 931385018 CTIWHCSYCINVND-MRXNPFEDSA-N 456.499 2.359 10 20 JECD CCOc1ccccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777852149 FNYFFEPTDYWTOA-NTKDMRAZSA-N 455.511 2.333 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3cccc4cc[nH]c34)C2)C1 1778035605 DUFHELZUOYDDTF-AREMUKBSSA-N 471.517 2.404 10 20 JECD CCSc1cccnc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1780466971 ICXWFXDEXCSQHG-YFTVHVBSSA-N 485.562 2.467 10 20 JECD Cc1noc(N)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781121122 FBTNJGHPNYVZLG-QVKFZJNVSA-N 464.906 2.071 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1782005631 RTANWJBULTUHRY-CVDCTZTESA-N 458.898 2.198 10 20 JECD Cc1cc(F)cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c1 1782280494 BZMJOMQRQLBJGM-NTKDMRAZSA-N 457.502 2.311 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@H]1CCCSC1 1783202529 ZMCSOWMEJYSMRU-NXQMDHLFSA-N 484.622 2.436 10 20 JECD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)ccc1C 1785510169 QBEUPMUDYPDPNQ-VQEXNLMWSA-N 468.506 2.277 10 20 JECD C/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C[C@@H]21 1790797401 SVTKLMIVXRXKAE-SSIMHHLRSA-N 486.613 2.260 10 20 JECD COc1cc(F)ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792221296 MCJDJLBPGWZLAS-QHVXYVIKSA-N 486.496 2.258 10 20 JECD CCC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)n1cccc1 1796388117 NNHRGZOSRPUDJV-GDMOVEKKSA-N 469.538 2.249 10 20 JECD C[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796482733 UVQGTAJYIZIPJJ-MGPQRACWSA-N 474.561 2.248 10 20 JECD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)nc2nccn12 1796934757 HWEPUGFUWSFKPI-GGPHIMKMSA-N 471.521 2.082 10 20 JECD CC(=O)Nc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)o1 1798435530 FFECSIAEJOSFNO-VBUUOAMHSA-N 463.494 2.283 10 20 JECD Cc1ccn2c(=O)c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)/C=C/c3ccc(O)c(O)c3O)cnc2c1 1804285865 JEQFQOAFGCGWEG-ZXRXUGKRSA-N 490.516 2.085 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)COc2ccccc2F)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807997502 AHRFBHNDLXGPPZ-QMHKHESXSA-N 466.469 2.426 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807998593 MWJUVTHKEXQMQC-GIMINZRKSA-N 463.494 2.070 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998665 DMNWIDZZZWBAHQ-YCRPNKLZSA-N 479.449 2.135 10 20 JECD O=C(Cc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1814177077 FABXBZWBVINZQG-IQMFZBJNSA-N 495.467 2.497 10 20 JECD CC(=O)Nc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1 1816728175 LZNMZXNXXGHMAP-OAHLLOKOSA-N 467.507 2.447 10 20 JECD Cc1ncccc1CCC(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240209 QPKVMECVXXNECF-AWEZNQCLSA-N 489.648 2.252 10 20 JECD CCc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)nn1C 1829480692 DZMVLJJPUAEYEA-GOSISDBHSA-N 477.656 2.076 10 20 JECD COc1nn(C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876496 HQFXJTQEFXIMTL-QRBZPYHOSA-N 484.553 2.492 10 20 JECD Cc1noc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)n1 1832877492 OFBLSWVYAJKFDW-IWHGQQBYSA-N 470.526 2.370 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cnc2ccoc2c1 1835024361 QZLSHQDLLNJEQW-UHFFFAOYSA-N 465.510 2.133 10 20 JECD Cc1cc(C)n(CCC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)n1 1838031852 RKGUUEAHDFTEIR-UHFFFAOYSA-N 471.558 2.009 10 20 JECD COc1ccccc1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1839955232 NBHOIWWSCGMBAB-XMMPIXPASA-N 490.940 2.073 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)C2(c3ccc(O)cc3)CC2)C1 1841380401 XLAWKJDRHPUOIL-UHFFFAOYSA-N 458.518 2.420 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CC(F)(F)C1 1843249505 QTCMJJUQNMZLNN-HNNXBMFYSA-N 496.511 2.202 10 20 JECD CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)NCc3ccc(N(C)C)cc3)nc(C(C)C)nc21 45446417 PGQCPCFAGJAPSK-UHFFFAOYSA-N 484.626 2.498 10 20 JECD NC(=O)c1cccc(CCNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 726613759 QZMPEDSUDXRYFZ-UHFFFAOYSA-N 477.544 2.083 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3nc(CN4CCOCC4)cs3)CC2)cc1 915316923 YFSDSXBENUTBMJ-UHFFFAOYSA-N 474.631 2.318 10 20 JECD CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918287691 RNIWUBSHVHYASO-IYBDPMFKSA-N 456.518 2.444 10 20 JECD COC(=O)c1ccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cn1 919761907 SUIQWJBRWHSBCP-UHFFFAOYSA-N 450.474 2.054 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)Nc1ccccc1F 919799620 GUAXTRSYACICAH-UHFFFAOYSA-N 452.465 2.336 10 20 JECD Cc1ccc(-c2noc(CN3CCN(C(=O)c4cc(NS(C)(=O)=O)ccc4O)CC3)n2)cc1 919810431 UMHRIHCNZVVYIX-UHFFFAOYSA-N 471.539 2.080 10 20 JECD CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc21 919970832 FCGDZUUTVUPXPE-UHFFFAOYSA-N 461.559 2.429 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1C 920313794 NCRBDFRAIURXJO-UHFFFAOYSA-N 450.535 2.100 10 20 JECD C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 920870001 XKLXWVMPGAAPFV-IBGZPJMESA-N 458.584 2.300 10 20 JECD COc1cc(F)ccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777851077 AGVBFDZZEPJTCL-WZONZLPQSA-N 459.474 2.082 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1[C@@H]2C=CS[C@@H]12 1781538083 XQFKSTXZJNDCEI-BCHAREHBSA-N 472.563 2.206 10 20 JECD COC(=O)C1(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)CC1 1781755762 SQXXNTPPTUKYGA-VWLOTQADSA-N 465.550 2.491 10 20 JECD Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)n1 1785117781 VWIYLVQROHMREI-ZYNMFJCASA-N 481.549 2.133 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479272 LPTNXMZTFWAIRI-SBJZBLMYSA-N 490.535 2.312 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc31)C2)C1=NN(c2ccccc2)C(=O)C1 1796482760 XDLKWUAIAOPUSZ-AJDBGRLRSA-N 472.545 2.099 10 20 JECD CC(=O)Nc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)ccc1C 1800645230 IQJVGXUSGIVWMT-BJWYYQGGSA-N 474.608 2.066 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1801227482 WEJISTQPGWHWAB-NTNQKNOYSA-N 459.930 2.228 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccnc1S 1802507178 SCYJEQVIRLBGSS-KUHUBIRLSA-N 451.508 2.205 10 20 JECD Cc1cc(C(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)n(C)n1 1808335385 GCVJUZJMWNWOJX-UHFFFAOYSA-N 462.554 2.366 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2cncn2c1 1810011495 OBFFFNTXUYKYQD-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)nn1C 1814162373 IRIMYDRSZZKPPR-XZSBDORCSA-N 477.521 2.273 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@@H]1CNc2ccccc21 1817345579 KYRDKSUGPJTVHB-PBHICJAKSA-N 484.607 2.471 10 20 JECD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)n1 1817845247 HUTDDYFAEIVGAZ-ZDUSSCGKSA-N 483.441 2.147 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@@H]1Cc2ccccc2O1 1818906443 HDUWNAANLRGVKK-WBVHZDCISA-N 485.591 2.266 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)C(F)(F)C(F)F)[nH]n1 1823496508 IOERJHYPEFFFMR-SECBINFHSA-N 467.470 2.163 10 20 JECD Cc1cc(/C=C/C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)no1 1823500246 XWVNFAADIVEXIR-LLYBFZRZSA-N 474.568 2.272 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)CSc2ncccn2)CC1 1827173888 XRCCOBVIPRALAE-KRWDZBQOSA-N 457.556 2.308 10 20 JECD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)n1ccccc1=O 1827428598 YISIUWLMRAJKRK-VQIMIIECSA-N 454.527 2.149 10 20 JECD CCOC(=O)O[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828197635 FTFXJYZODXBQBW-VMHQAGKSSA-N 491.522 2.447 10 20 JECD COc1ccccc1C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828247468 RSKOPFRPIIKRBA-NSHDSACASA-N 476.605 2.238 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1832489313 REHIHSHCTYCFLC-IUMDUWAESA-N 456.539 2.329 10 20 JECD O=C(CCc1ccccn1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837216422 ZIBTVCJADBDVGU-UHFFFAOYSA-N 454.527 2.133 10 20 JECD CC(=O)Nc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1838031642 ZKIDZPSXCUITGX-UHFFFAOYSA-N 496.564 2.306 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3sccc3F)C2)C1 1839432761 ZJNNZVBHQOXRDM-HXUWFJFHSA-N 470.906 2.336 10 20 JECD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(O)c1 1840670616 PCHXDXZXHBKFKJ-QHCPKHFHSA-N 476.913 2.149 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)c3cc4[nH]ccc4s3)C2)C1 1840880707 GFYQCZXPXPSUMG-UQPVFDRXSA-N 499.545 2.130 10 20 JECD Cn1cnc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1C(F)(F)F 1843519538 MVBQYILEHMXLQX-UHFFFAOYSA-N 474.443 2.049 10 20 JECD Cc1ccc2[nH]cc(CC(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)CN3C(=O)CSC3=S)c2c1 1848142492 PDNARSOUXRCYME-ROUUACIJSA-N 456.593 2.081 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)CC2)cc1 726727694 KAHXYCBBDZFWIB-UHFFFAOYSA-N 490.557 2.098 10 20 JECD CN(C)c1ccc(CNC(=O)Cn2nnc(-c3ccccc3I)n2)cc1 729642550 GFSWVSLODVDIMF-UHFFFAOYSA-N 462.295 2.327 10 20 JECD Cc1c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nnn1-c1cccc2ncccc12 731339602 AOVRYLAPNXOZFF-UHFFFAOYSA-N 476.562 2.289 10 20 JECD COc1ccc(N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC(C)C)cc1 746171318 ZPDOVJIUEVHRJP-UHFFFAOYSA-N 475.611 2.495 10 20 JECD O=C(CN1CCN(C(=O)CCCc2ccccc2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 748810064 IMBOLKZTRLYGIP-UHFFFAOYSA-N 482.600 2.446 10 20 JECD CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 775234891 OBWBLYQNJMOXCB-UHFFFAOYSA-N 464.482 2.187 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 913638395 LZPPNIQGSFQVKR-UHFFFAOYSA-N 457.575 2.309 10 20 JECD C[C@@H](OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 916523767 JUNDHUGTRVZVLL-SRGMZFCMSA-N 489.484 2.053 10 20 JECD O=C(Nc1ccc(CCN2CCOCC2)cc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918295741 FJTZARHVCPBJCJ-HSZRJFAPSA-N 467.566 2.413 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)Cc4ccccc4F)CC3)cc2)C1 921243202 PBEXZYAVMNTNJD-OAQYLSRUSA-N 481.572 2.124 10 20 JECD C/C(=C\c1cccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1782525346 PJBAHZZTWGEHOO-KIWQOVNZSA-N 452.511 2.119 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)C2)C1 1782962334 BBPUHCXMCARMMO-QFIPXVFZSA-N 457.914 2.322 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(Cl)cc1)C2 1783245781 DPBJKVATRJKKEC-IIBYNOLFSA-N 482.027 2.328 10 20 JECD Cn1c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc2ccccc21 1785505999 XERWVXUHGCZFTJ-QGVYAHRCSA-N 477.517 2.452 10 20 JECD C[C@H](C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1)N1C[C@H]2C[C@@H]2C1 1789449729 PZRWCNXQJUDDQI-BZUAXINKSA-N 472.636 2.321 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)c(F)c1Br)C2)c1cc(O)nc(O)c1 1796140199 GRHJBCSKTHCLQC-XGISUXEOSA-N 498.280 2.051 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804291551 MEVYHWCRKALFEF-OUVYDVBVSA-N 453.495 2.317 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cncn1-c1ccncc1 1805105087 UCIJHELHMSTIQL-HXOBKFHXSA-N 485.504 2.102 10 20 JECD Cn1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(C(F)(F)F)n1 1807994844 KMLAEWOAZKECMJ-SCLBCKFNSA-N 490.442 2.274 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCn2ccnn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810059 QWDGYSXRSZKJQX-YWZLYKJASA-N 470.917 2.148 10 20 JECD C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1813469323 HOYUXSSLUIHNJD-LDBYXDLTSA-N 486.619 2.420 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)/C=C/c2cnccn2)[C@@H]1c1cccnc1 1814166623 REZVMQZSAXVRCB-IAZROUPTSA-N 487.516 2.421 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cnc(C(F)(F)F)cn3)sc2C1)c1cc(O)nc(O)c1 1816089115 ULYQARQMFBRAGU-SECBINFHSA-N 480.428 2.298 10 20 JECD O=C(COc1ccc(F)cc1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722456 HQIGZSVRKUVHTN-CYBMUJFWSA-N 458.471 2.393 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cnccc3[nH]1)CC2)c1cc(O)nc(O)c1 1816725818 MONRFPQMZFDKJD-GFCCVEGCSA-N 450.480 2.365 10 20 JECD Nc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)cs1 1817362845 WWJDOCWIXZWGHH-NSHDSACASA-N 481.563 2.201 10 20 JECD COC[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817363573 JGHMMUIPJQPBRU-UONOGXRCSA-N 455.540 2.131 10 20 JECD O=C(CSc1ncccn1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1817592505 JMHLFJQLLNROGT-AWEZNQCLSA-N 455.500 2.104 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CSc2nc[nH]n2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147632 AYNHLMGWYWRGJG-QGZVFWFLSA-N 493.553 2.105 10 20 JECD O=C1CCCCN1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1831764983 UHSBCALOEKDERS-QHCPKHFHSA-N 493.608 2.412 10 20 JECD COc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)n1 1832896781 PGQGJUMBOUQTMK-QGZVFWFLSA-N 476.624 2.184 10 20 JECD O=C(c1ccc2nn[nH]c2c1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900717 XQCDADJFUITYBE-GOSISDBHSA-N 486.623 2.052 10 20 JECD CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccccc1 1840880224 DCWCABNNQGPGFR-IOORJIKKSA-N 496.560 2.467 10 20 JECD COc1ncc(Cl)cc1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1840993292 CWKANJWNLPGHCY-GQCTYLIASA-N 459.886 2.391 10 20 JECD CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C1)C2 1843251273 OPVXOIAKHGYQSX-YESZJQIVSA-N 472.542 2.098 10 20 JECD CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)C1=CCC=CC1 1844376259 DUALIBQMVXTWLI-HXUWFJFHSA-N 484.553 2.480 10 20 JECD CC(C)n1nnnc1SCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 16453647 FAOFRAIOGYSCPP-OVCLIPMQSA-N 492.608 2.092 10 20 JECD C[C@@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 105205285 PQXWFFGOHOVKCU-KGLIPLIRSA-N 453.472 2.281 10 20 JECD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 107982267 SCKCRGYWHAKRPW-KRWDZBQOSA-N 483.578 2.219 10 20 JECD CN(C)CCNC(=O)c1cccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 727480383 XKNXEZKZEASSHO-UHFFFAOYSA-N 471.577 2.078 10 20 JECD CN(c1ccc(CNS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1)C1CCCCC1 728586396 ORXOIJAQDFJATI-UHFFFAOYSA-N 457.556 2.282 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NCc2ccccc2O)c1 748484930 ABHUOBGYFZJDAU-UHFFFAOYSA-N 474.583 2.278 10 20 JECD Cn1cnc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c1 751268200 WDKCKONTXLCOSX-UHFFFAOYSA-N 464.525 2.183 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)OCCN1C(=O)CCC1=O 913361297 PTLOXTAGWMYWKW-LCYFTJDESA-N 483.365 2.343 10 20 JECD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 915778348 JHMRGUNZEXBFTB-UHFFFAOYSA-N 456.568 2.326 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2F)C[C@H](C)O1 917714289 UERSAGFYAGJPDE-KBPBESRZSA-N 470.457 2.260 10 20 JECD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc2O1 918266565 QBVDEQVWASPKLY-QFIPXVFZSA-N 450.539 2.223 10 20 JECD CC(C)(C)C(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 919222280 UKHWFFSXESLRHB-DHDCSXOGSA-N 450.538 2.322 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CN3CCCCCCC3=O)cc2F)C[C@@H](C)O1 919309500 XLKOLUZQDXOXDH-HDICACEKSA-N 463.550 2.391 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(N2CCS(=O)(=O)CC2)c1 919907187 CSESZPOFSGVAGR-UHFFFAOYSA-N 476.574 2.343 10 20 JECD CCN(C)[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1781461039 ZEKGGVWZHHMQLB-GKIWIXTESA-N 453.967 2.219 10 20 JECD Cn1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1C(F)(F)F 1782005604 QYEGZOOFLLPNFQ-IBGZPJMESA-N 488.850 2.261 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)n4cncn4)C3)C2)cc1 1784477587 UIVGMPYSNIEUEV-CJFMBICVSA-N 462.554 2.390 10 20 JECD CN(C)c1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785509975 JZMSAVMNAZMENU-PMDNVAFQSA-N 467.522 2.026 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc(Cl)cc3Cl)C[C@@H]21)c1cc(O)nc(O)c1 1787292493 VRTFHSZLFVASNG-XEGUGMAKSA-N 467.309 2.102 10 20 JECD COC[C@H](NC(C)=O)C(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788674179 YBXWNQZKLNVYSQ-QFIPXVFZSA-N 491.548 2.065 10 20 JECD O=C(CN1CCc2sccc2C1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1793898216 SIOSWIWYENWHIO-VPTLXERWSA-N 491.997 2.074 10 20 JECD CN[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2)C(=O)O 1796092573 BIVYYIDPUATLDF-FKVLARQCSA-N 452.555 2.409 10 20 JECD CCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c1Cl 1799770746 CGNUWCJDLPUNFR-CULMDFNYSA-N 469.325 2.207 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccccc2F)CC1 1802046683 VNVLNRIZDJPBAP-QUKZKKHZSA-N 482.508 2.277 10 20 JECD Cc1cccc(/C=C/C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)n1 1802460371 RQDRKHHHYIFBKN-UMQOZUHOSA-N 495.630 2.365 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)[C@H]1CCCO1 1807690839 RHZRKELOKLXFBO-JMUQELJHSA-N 461.522 2.059 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3cn4cc(F)ccc4n3)CC2)C1 1810546484 HBDNJMIQTBZSKP-UHFFFAOYSA-N 453.474 2.438 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cnc(Cl)s2)[C@@H]1c1cccnc1 1814189805 ZMPLUWJQRJTVSI-BLLLJJGKSA-N 496.039 2.371 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cn3cc(F)ccc3n1)CC2)c1cc(O)nc(O)c1 1816725225 GLCTVZVTQGLDIE-LBPRGKRZSA-N 468.470 2.276 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3ccnn3c1)CC2)c1cc(O)nc(O)c1 1816728292 FFTCLZHGQGKOCP-ZDUSSCGKSA-N 450.480 2.137 10 20 JECD CCOc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)nn1 1821760519 HPTRYPKXGFMTDI-QGQQYVBWSA-N 497.533 2.388 10 20 JECD Cc1nccn1[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822886235 ZGVMRBHHQRUAMB-WFASDCNBSA-N 475.600 2.028 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823710999 QGVYMPCYWZHFRF-SKDRFNHKSA-N 466.947 2.300 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2F)CC1 1827956570 ICYLSORHSQNSPT-QGZVFWFLSA-N 464.588 2.314 10 20 JECD O=C(CN1CCSCC1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876315 UBHJBVTYPWEJIQ-CYXJOQHWSA-N 489.638 2.485 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1scnc1C1CC1)CCO2 1833731396 MZOVDKLBTQCMJM-JOCHJYFZSA-N 493.969 2.469 10 20 JECD Cc1ncsc1C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1834224750 HIAYANOMLQHQIZ-UHFFFAOYSA-N 494.621 2.430 10 20 JECD Cc1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c(C)n1 1834988135 GOQVYLHRGCKMCG-UHFFFAOYSA-N 481.597 2.323 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)CC1)c1cc(O)nc(O)c1 1834988655 AJZSOJMVYCFHSJ-UHFFFAOYSA-N 460.481 2.270 10 20 JECD C[C@H](Cn1cccn1)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1837222987 RGVDOJDKKBMMPL-MJICGBHWSA-N 498.580 2.348 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2c(F)ccc(O)c2F)C1 1845470569 ZTXXYAWZWQTNMR-UHFFFAOYSA-N 454.433 2.280 10 20 JECD O=C(c1ccc2c(c1)OCCO2)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037883 VZWNGZOGAZLHGR-QPJJXVBHSA-N 452.463 2.105 10 20 JECD CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCN(c4ccc(OC)cc4)CC3)cc(C3CC3)nc21 108696857 FVYHDNNXWDEIDV-UHFFFAOYSA-N 463.538 2.343 10 20 JECD O=C(CN1CCN(C(=O)c2ccc(F)cc2F)CC1)NCc1ccc(N2CCOCC2)c(F)c1 726971604 LUQBVYNKIVWCJF-UHFFFAOYSA-N 476.499 2.015 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(-c2ccco2)n(CCC(N)=O)c1=S 915202233 WRQNZZOQWZHJAO-UHFFFAOYSA-N 456.572 2.476 10 20 JECD Cc1cc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c(C)n1-c1ccccc1Br 917994869 KXFBHLFZXMZYNG-UHFFFAOYSA-N 489.414 2.473 10 20 JECD COc1cccc(C(=O)NCC(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 918973706 HXWJEZYWDMZQCM-IRXDYDNUSA-N 487.528 2.037 10 20 JECD COc1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1C 1782004821 NNCKKRMZBOTUIY-QFIPXVFZSA-N 461.902 2.221 10 20 JECD O=C(c1ccc2nccnc2c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005686 VEWYYJKOHIGJLP-HSZRJFAPSA-N 468.897 2.452 10 20 JECD Cc1ncc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)s1 1783223081 UNELTBCOAYQFGE-XHDSPZKDSA-N 487.578 2.338 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3nc4ccccn4n3)cc2)CCC1 1788403902 XFQGAQMFIYEORQ-UHFFFAOYSA-N 480.575 2.337 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@@H]1CCc2ccccc2[C@H]1O 1793038651 YIXUAOTZCYDXFH-VQMFYWGHSA-N 486.952 2.250 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)ncn1)C1=NN(c2ccccc2)C(=O)C1 1798997867 PDKSVOJMARJRAQ-RBVVOMGSSA-N 452.902 2.175 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n(C)n1 1805647331 ZBIBEVZKECQTLZ-AEVOMHCASA-N 477.521 2.273 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)cc2F)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808000570 NSVUEIWBUAYVJW-SPLOXXLWSA-N 452.442 2.366 10 20 JECD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)nn1C 1808464837 PMFVOKFXPCBSDK-RXFWQSSRSA-N 499.575 2.165 10 20 JECD CC(C)c1cc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)on1 1811572261 NBAZZVGDQXBVAO-MGPUTAFESA-N 487.607 2.373 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811796040 BHYPXMJLDQHXBW-ZAAXVRCTSA-N 474.945 2.381 10 20 JECD Cc1ccc(O)c(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1814189911 KPQYUAIDVFTUDA-HRAATJIYSA-N 484.603 2.276 10 20 JECD C[C@@H](Nc1nccs1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816724736 DYBLUUWPZQDIMJ-MWLCHTKSSA-N 460.541 2.132 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cnccn2)[nH]n1 1823477043 YAKDAZGXKUGAJM-UABRLCRWSA-N 464.482 2.265 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C3CC3)on2)[nH]n1 1823496698 NPWMPZLNZHOMGB-CQSZACIVSA-N 474.568 2.441 10 20 JECD CC(=O)N/C(C)=C/C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1824475705 SUMZHRLHWLRVEC-LHXVZLOVSA-N 464.931 2.473 10 20 JECD O=C(c1[nH]nc2ncccc12)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827426041 IBFVTPUCDLMVGS-QGZVFWFLSA-N 450.499 2.311 10 20 JECD O=C(c1nn[nH]c1C(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427894 LGBGELGNCJPVKH-ZDUSSCGKSA-N 468.436 2.177 10 20 JECD CN1C(=O)CC[C@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717708 TXUSYBQNIZJFMI-VXKWHMMOSA-N 479.581 2.020 10 20 JECD CCOc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)nn1 1828198355 XKDDAHAZIIAFSZ-QGQQYVBWSA-N 497.533 2.388 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828246551 AZWHMILYTUDFEH-GXTWGEPZSA-N 489.648 2.189 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3nn[nH]c3c2)CC1 1831057202 TZECGZCXTJMEQO-IBGZPJMESA-N 450.499 2.311 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1c(F)ccnc1Cl 1833902368 PCVLCWCLMALAAC-UHFFFAOYSA-N 477.924 2.179 10 20 JECD CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CCCCC1 1840881593 YGFCXYATQMGCRH-UVXPNCNTSA-N 474.554 2.243 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)C1 1842049675 FQYYFYLSTVVYHB-UHFFFAOYSA-N 450.417 2.356 10 20 JECD Cc1cc(Br)c(N)cc1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1842857071 RVQBVHLNMNAWGU-UHFFFAOYSA-N 497.440 2.017 10 20 JECD COc1cccc(-c2ncccc2C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)c1 1843173713 DLDQSWLAGZHYSM-UHFFFAOYSA-N 496.614 2.435 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1ccncc1O)C2 1843331425 WANUNVUXMRJFDM-HXUWFJFHSA-N 495.580 2.322 10 20 JECD C[C@H](C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1)N(C)C(=O)OC(C)(C)C 1843442394 HJTLJTCHKKSQRF-QGZVFWFLSA-N 483.569 2.238 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)C1 1845330736 CYEQWMYLAGKVKL-UHFFFAOYSA-N 477.271 2.294 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COc3ccc(S(=O)(=O)N(C)C)cc3)cc2F)C[C@H](C)O1 727976998 CLVWXRFWKRGGTI-IRXDYDNUSA-N 479.574 2.385 10 20 JECD CN1CCC(CCNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 728750241 DWXUERGBDFYOTQ-UHFFFAOYSA-N 455.582 2.473 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1 742920862 VTZBUXBROYFZNY-UHFFFAOYSA-N 450.499 2.341 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 742939913 LRDGXWVDLQMBKO-UHFFFAOYSA-N 461.607 2.470 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(N4CCCC4)c(F)c3)CC2)cc1 743433160 XRZSQLXXVSEHTP-UHFFFAOYSA-N 469.561 2.311 10 20 JECD Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C 748542181 QDBYKULYBQNTRK-UHFFFAOYSA-N 461.584 2.240 10 20 JECD Cc1nn(C)c(C)c1CCNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 914866098 GGKZCCWMPQTGOR-UHFFFAOYSA-N 473.511 2.424 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)cc2)C1 917832913 IACKWRYMOLDWAF-OFNKIYASSA-N 484.622 2.248 10 20 JECD CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 917834912 UGTGZCQIKQOEGG-YLJYHZDGSA-N 472.611 2.395 10 20 JECD Cc1cc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)c(C)o1 918121231 GBEYMNCUOGLTNX-FQEVSTJZSA-N 467.570 2.266 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 918220432 XTNZHCLYWRLUFR-UHFFFAOYSA-N 490.601 2.144 10 20 JECD O=C(CN1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1)Nc1ccc(F)cc1 918224982 YFYXLRSACQTRSN-UHFFFAOYSA-N 473.524 2.267 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@]34CCC(=O)N3c3ccccc3S4)nc12 919037074 MWJWSRMYFDJTPE-OAQYLSRUSA-N 454.464 2.284 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)Nc1ccc2c(c1)CCO2 919800618 XCNCPGSCYLUCFR-UHFFFAOYSA-N 476.512 2.132 10 20 JECD Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(OCC(=O)N(C)C)c1 920190079 TXRGFGLLPRXJCI-LJQANCHMSA-N 469.538 2.314 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)CC2)cc1 920252558 MXGMUTLUBBZAPS-DGVDTQEHSA-N 454.546 2.458 10 20 JECD Cc1cc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1cccc(Cl)c1 920662062 KFIOTTRLRZYVSH-HXUWFJFHSA-N 494.013 2.236 10 20 JECD O=C(Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(N3CCCC3)cc2)c1=O)NCc1cccs1 1317895675 WSSFWAWLCOJDKY-UHFFFAOYSA-N 493.654 2.476 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1782008082 UUWADPWILHHGCJ-QHCPKHFHSA-N 473.913 2.467 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1sccc1F 1784748285 QSJGGVIZSHGXAV-FKYOHGGQSA-N 462.499 2.311 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cc(F)c3F)C2)C1 1785088257 BIMLKZQSYUDIFT-ZGVNINRLSA-N 478.423 2.378 10 20 JECD CC(C)(C)n1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)n1 1785699157 XRYKWRHXUZBFFE-JLMWRMLUSA-N 492.580 2.024 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cc(Cl)ccn1 1788852125 QAABHEIRYTXGKC-HAMHFSBISA-N 473.913 2.159 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792217597 ACUHPANPIJRJOB-KRXAKZECSA-N 481.549 2.070 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2cccnc2)c1)C1=NN(c2ccccc2)C(=O)C1 1794770621 AVPMSSHOTCVHTN-NUZGMZIFSA-N 483.532 2.312 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(-c3ccccc3)n1)C2)c1cc(O)c(O)c(Cl)c1 1799768842 AMNZGKGYQVHBEF-VPTLXERWSA-N 482.924 2.454 10 20 JECD CCOC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1799790189 DRSSBMDZYFWJRY-XEMDLRDOSA-N 488.924 2.445 10 20 JECD Cc1ccn(CC(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n1 1804621168 KUXMXVNZLOHYNN-NBGIEHNGSA-N 485.548 2.085 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CCCN(C(=O)CNC(=N)N)C3)CC2)cc1 1809694471 SOJKYQGIDBSMPI-UHFFFAOYSA-N 450.587 2.422 10 20 JECD CC[S@](=O)CCC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1810116298 FKJVIRYRJYOUEB-BGSAWDPPSA-N 495.605 2.039 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H](CNC(=O)C(Cl)(Cl)Cl)[C@H]1c1cccnc1 1812723446 SKOXIPTWLWUTBN-BXUZGUMPSA-N 495.841 2.318 10 20 JECD CC(C)c1nc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)co1 1814184603 BVXBZNGTWIDFRL-DNVCBOLYSA-N 487.607 2.373 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc3cccnc3[nH]2)[C@@H]1c1cccnc1 1814189009 JATYJLPFFSPCIL-OXJNMPFZSA-N 494.602 2.138 10 20 JECD Cc1nc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cs1 1816580818 SQOVBKRXAOPFGN-CYBMUJFWSA-N 464.598 2.341 10 20 JECD Cn1ncc2cc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)ccc21 1816726244 UBYCNHBFCMKDID-AWEZNQCLSA-N 464.507 2.376 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3C=CS[C@@H]32)[nH]n1 1823499424 GBIQQEMWPVHDDF-AYCDNXFUSA-N 463.610 2.137 10 20 JECD Cc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc1 1828242861 SPNZHFJKGCFRKI-CQSZACIVSA-N 474.633 2.467 10 20 JECD O=C(CCc1ccccn1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896695 NIYVQBNJQIGHHG-IBGZPJMESA-N 474.652 2.494 10 20 JECD CO[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)c1ccccc1 1834927608 DNUUSTOTFYCXSS-ZJSXRUAMSA-N 490.940 2.209 10 20 JECD O=C(C1=COCCC1)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838111645 HWIUIPBTFAIBQT-UHFFFAOYSA-N 480.565 2.472 10 20 JECD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1)c1ccccn1 1838812948 FCMRUBPUDOITFT-INIZCTEOSA-N 490.651 2.044 10 20 JECD Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)CCO3)n1 1839348181 GFSHSNBKRFSJIE-AREMUKBSSA-N 493.564 2.098 10 20 JECD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 727768247 YCBXLJDNAMVHTK-WMZHIEFXSA-N 477.565 2.203 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)CC2)cc1 743432220 JQMSZJOZNSTOCT-UHFFFAOYSA-N 493.608 2.245 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(CS(C)(=O)=O)c3)cc2F)C[C@@H](C)O1 746989485 JPGXWKYXDJDSSF-IYBDPMFKSA-N 477.558 2.239 10 20 JECD CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(F)c(NC(=O)CCN4CCOCC4)c3)ccc21 747017450 IVOCBQXTADELEU-UHFFFAOYSA-N 497.571 2.124 10 20 JECD COc1ccc(N2CCCN(C(=O)CCCNS(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 918369887 VAMRAGBCCNSLMQ-UHFFFAOYSA-N 489.594 2.264 10 20 JECD CCOc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1OC 918464573 BCZLOYDQUVBTAB-QGZVFWFLSA-N 454.527 2.051 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CC(=O)N(c4ccc(CC)cc4)C3)nc12 918877764 DIBJQXUZSHIDMS-HNNXBMFYSA-N 452.467 2.270 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)nc12 918921647 HBXVARIPXJLMMT-OAHLLOKOSA-N 470.457 2.346 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(CN4CCN(C)CC4)c3)cc2F)C[C@H](C)O1 920188152 DXDLXLTWLOGJCC-PMACEKPBSA-N 497.615 2.442 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3ccccc3CN3CCOCC3)CC2)cc1 920252729 NYAFFGCWBBCBHU-KHPPLWFESA-N 478.593 2.049 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSc1ccccc1)C2)c1cc(O)nc(O)c1 1777847660 KZOOHCUZZDKFHM-WZONZLPQSA-N 457.552 2.413 10 20 JECD Cc1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cs1 1778126058 FCRXLBFVKUZFEL-HYBUGGRVSA-N 481.578 2.372 10 20 JECD COc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1785017751 PIZUOQJFCFUWCL-MLENBVEFSA-N 472.469 2.108 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CCCO3)CCO2 1785510614 TWDSSXMHNHRWGD-OZJHFHSKSA-N 480.517 2.285 10 20 JECD COc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)c(F)c1 1785741111 UJGBXUCLVVZHEH-MIUNTBIASA-N 479.892 2.201 10 20 JECD O=C(CS[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1788647392 UKQXJPAZUWKDPP-WYWFWVCLSA-N 492.594 2.056 10 20 JECD CC(C)(C)OC(=O)NCc1ccnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)c1 1794752405 ZBXUULNJPZWNOS-BCDXTJNWSA-N 497.552 2.478 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccnc2s1 1797425494 HGXICIKLFIUIKD-BTTYYORXSA-N 460.606 2.408 10 20 JECD COc1ccc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CN3C(=O)CSC3=S)C4)[nH]c2c1 1797432438 YWAPMZIMNWZZQL-QDMKHBRRSA-N 472.592 2.289 10 20 JECD CN(C)c1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1 1802082561 RZKLSGDHJNCKQW-HJVABQPLSA-N 495.576 2.105 10 20 JECD COc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)cn1 1804284023 YAGYASZFJYPTNB-IYKZFTADSA-N 467.522 2.491 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cncn1-c1ccncc1 1805105085 UCIJHELHMSTIQL-GAJHUEQPSA-N 485.504 2.102 10 20 JECD COc1cccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1806558293 QCBUVDCBFMJZKJ-MBSDFSHPSA-N 498.630 2.199 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc[nH]c2nccc1-2 1808076285 YSLLPUBYHJNGSQ-VFNWGFHPSA-N 458.478 2.349 10 20 JECD CC(=O)Nc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)o1 1810298890 XIRXFBCHQMEOFF-YCRPNKLZSA-N 465.466 2.073 10 20 JECD O=C(CCCc1cccnc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1813521140 GZOSSWVDBFASAN-AUSIDOKSSA-N 497.646 2.366 10 20 JECD Cc1cccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)n1 1814974912 BQZSTIZIEQJRAF-INIZCTEOSA-N 472.596 2.208 10 20 JECD COc1nccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)c1F 1815819370 RIXYBNQFZKWFIV-JTQLQIEISA-N 459.459 2.032 10 20 JECD Cc1cc(C)n(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)n1 1817848256 ANVBILBQNWGZHI-QGZVFWFLSA-N 453.503 2.425 10 20 JECD N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823711117 VPVJUDLYWMNXDB-ZFWWWQNUSA-N 487.969 2.399 10 20 JECD CCC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)COC1 1824922575 GHQXYQHCSAKJMK-GBVBUYCNSA-N 459.524 2.312 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)sc2C1 1825694915 DAVDJPNWQLPCSU-SNODMHLFSA-N 471.535 2.453 10 20 JECD C[C@H](Cc1ccccn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1826546733 SHGWMZFAIWFLTK-OCCSQVGLSA-N 489.648 2.189 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2)n1cccn1 1826857580 AJNQQCGSRNPESS-GJZGRUSLSA-N 477.550 2.306 10 20 JECD Cc1cccnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896900 TUZXAQOJIJPIMA-KRWDZBQOSA-N 460.625 2.484 10 20 JECD CCc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)n[nH]1 1832902528 PNVRVLAYAUNSJI-KRWDZBQOSA-N 463.629 2.066 10 20 JECD O=C([C@@H]1CCC=CO1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902768 UOHMXJJRANJODI-IRXDYDNUSA-N 451.614 2.159 10 20 JECD O=C(Nc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)cc1)c1ccco1 1843250753 LSYSGCQONYNTDX-UHFFFAOYSA-N 462.462 2.469 10 20 JECD CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251193 GBYDOLNXTJAFBU-KSSFIOAISA-N 462.547 2.249 10 20 JECD C/C=C/C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251759 VGNQWFADQFSUFG-QQOXCAACSA-N 459.543 2.313 10 20 JECD Cc1c(-n2nnnc2SCC(=O)N(C)Cc2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C 105320801 DMTJTMBHJQBFQF-UHFFFAOYSA-N 492.609 2.277 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 727947861 ZRDQBJPBWYVPGO-UHFFFAOYSA-N 494.523 2.048 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1C(=O)O 728017296 NUKFNXKLLKXYEF-UHFFFAOYSA-N 454.404 2.456 10 20 JECD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)n2)cc1 731049324 VLIGXVUBKCDDLX-UHFFFAOYSA-N 452.539 2.217 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)CC2)cc1 744616668 VRCIZRIRMKKMQW-UHFFFAOYSA-N 452.467 2.450 10 20 JECD COc1ccc(N2CCN(C(=O)CSCc3ccc(S(=O)(=O)N(C)C)o3)CC2)cc1 749698478 ACGIKGUYGIVFJL-UHFFFAOYSA-N 453.586 2.121 10 20 JECD C[C@H](OC(=O)c1sccc1S(N)(=O)=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 774799849 DPIHWFDWWFROGA-NSHDSACASA-N 484.511 2.355 10 20 JECD C[C@H](OC(=O)Cn1c(=O)nc(O)c2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 809006717 IPJNPOBYAQZSIL-AWEZNQCLSA-N 497.463 2.448 10 20 JECD O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCN(CC(F)(F)F)CC1 913660946 SAZHYPZFHHOLEN-UHFFFAOYSA-N 488.444 2.421 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cn2)CCO1 918117221 IUTABZWXSUIOPO-NQIIRXRSSA-N 466.586 2.008 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(c4ncnc5sccc45)CC3)cc2)C1 918119014 XPHDSRQWFWMVOL-GOSISDBHSA-N 479.610 2.425 10 20 JECD CN(C)C(=O)COc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 918295290 PXYAODBOTPZELI-HXUWFJFHSA-N 455.511 2.006 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 918306154 UNRCOVFSHDKNBB-UHFFFAOYSA-N 489.642 2.446 10 20 JECD C[C@H](CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)CN1CCCC1 919782957 PTSCLIBJIZGESB-LJQANCHMSA-N 455.582 2.473 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)c1 919816175 QNYQXWWORRNCIJ-UHFFFAOYSA-N 460.600 2.092 10 20 JECD C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(=O)NCC(F)(F)F 1318006118 XFDKPGZEIPZFHY-LLVKDONJSA-N 456.387 2.408 10 20 JECD Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cn1 1778126087 GGWVIYRMHRUUGZ-YIXXDRMTSA-N 489.576 2.239 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1CCCS1 1782762009 RXVIGUYNHNKULG-DVUHTVQOSA-N 462.568 2.226 10 20 JECD COc1cc(F)ccc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1784916165 MYMBGBRBPNWYNP-CMEAPCDJSA-N 472.469 2.108 10 20 JECD O=C1CCCc2cc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)ccc21 1785506113 ZLVCPNLOLDNLKD-DIPPXIFJSA-N 492.528 2.479 10 20 JECD Cc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)cs1 1786205662 BHNXPMDGOOYPBA-BNLOLNQZSA-N 451.932 2.423 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c(F)c1 1790050574 RKNPBRIRBFFZAC-QHVXYVIKSA-N 486.496 2.258 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncn3-c3ccncc3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242011 FMSXFRGCRKMMHY-LFRPXUGBSA-N 497.939 2.239 10 20 JECD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1793109109 BUELNOYOFCCPEH-UUALRLQOSA-N 477.857 2.169 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1796052333 WHAGZECKQGQKRU-FRTACKCFSA-N 460.538 2.313 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)c1ccccc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480539 MKWQBFKRVNXAOG-WKZKVMAPSA-N 464.497 2.080 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@@H]1CC(c2ccccc2)=NN1 1796935025 OZQWBDNSRDZHFL-SQMWVJLWSA-N 484.560 2.184 10 20 JECD O=C(CCN1CCCCC1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1806653323 XPVNMNUGLHDFRN-MBSDFSHPSA-N 453.543 2.083 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(O)ccc1F 1810901166 QMYCVSCMBCDXJH-QKKBWIMNSA-N 452.442 2.366 10 20 JECD O=C(/C=C/c1cnc[nH]1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813299017 ZQAVRBNURJFAMC-UQMUGGJDSA-N 483.532 2.317 10 20 JECD Cn1cccc1C(=O)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814166890 VARJEPZBCAXDSZ-AVUHJFIJSA-N 490.516 2.139 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@@H]2CNc3ccccc32)[C@H]1c1cccnc1 1814185757 FYYJRSMOLLACQL-CECAUBDESA-N 495.630 2.157 10 20 JECD Cn1cc(CCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)cn1 1815431783 OKPXNBJJBCXPRH-MRXNPFEDSA-N 491.577 2.214 10 20 JECD NC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)c1ccccc1 1817844798 MITLMPZUNJGIRY-FUHWJXTLSA-N 450.499 2.264 10 20 JECD COc1ccsc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1820995226 CSDXWCISVSYSFW-VIFPVBQESA-N 482.634 2.299 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3nccn3c2)[nH]n1 1823497446 DRSAZAYNFSSPHV-HNNXBMFYSA-N 483.579 2.224 10 20 JECD COc1ccc([C@@H](O)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)cc1 1823951911 FGIQQVSRLKFOGL-NFBKMPQASA-N 469.538 2.468 10 20 JECD C[C@H](Cc1ccncc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1824518418 CQAULDAAJWPFEJ-IUODEOHRSA-N 453.524 2.449 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1825128677 IHVVYZKJWHOLMY-WSSFADSRSA-N 499.524 2.241 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(=O)n2O)CC1 1825492168 CFFAQFSJDSKGIC-NRFANRHFSA-N 491.548 2.112 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)[C@H]1CCC(F)(F)C1 1833042736 HIIHEOMKRLXSKC-AWEZNQCLSA-N 452.502 2.113 10 20 JECD CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cn1 1833892715 OIQMHNLFLUYSNN-QHCPKHFHSA-N 475.929 2.092 10 20 JECD O=C(Cc1ccsc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433738 AUAJBEUFIAXPJO-OAQYLSRUSA-N 466.943 2.125 10 20 JECD Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1C 1840879917 MOXGWDCYFRXRDC-WZSLKZGSSA-N 496.560 2.133 10 20 JECD O=C1CC(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)=Cc2ccccc2N1 1847038821 QNSGVQZSFWYXKN-VQHVLOKHSA-N 475.501 2.446 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccccc3OC(F)(F)F)CC2)cc1 743432191 IGZGKULNAWRFHS-UHFFFAOYSA-N 466.460 2.471 10 20 JECD CN1CCCc2cc(CNC(=O)N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)ccc21 746983168 VFFVQAKSFPLLFC-UHFFFAOYSA-N 453.568 2.045 10 20 JECD CC/C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)=C1\C(=O)NC(=S)N(CCOC)C1=O 814336818 KYXCGNRYIBQRHC-HNENSFHCSA-N 463.515 2.428 10 20 JECD C[C@H](OC(=O)CCc1nc(O)c2cnn(C)c2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 900701481 BMLPYNHHJJXUEZ-ZDUSSCGKSA-N 499.483 2.347 10 20 JECD COc1ccc(CCN2C[C@H](C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2=O)cc1OC 917707578 OLPPVRJWGDCQDE-HXUWFJFHSA-N 485.556 2.387 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(CN4C(=O)CNC4=O)c3)cc2F)C[C@@H](C)O1 917711475 GQLBZLGWIRTYDH-HZPDHXFCSA-N 454.502 2.421 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 918461380 WCKSFWJFQBLQNF-UHFFFAOYSA-N 488.610 2.403 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CS(=O)(=O)c3cccc(Br)c3)cc2)C1 918673276 ORHVHJVJUOOMSF-MRXNPFEDSA-N 494.411 2.241 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc4c(c3)NC(=O)CO4)cc2F)C[C@H](C)O1 918891618 HNFZYXLERHTJKN-GJZGRUSLSA-N 471.485 2.243 10 20 JECD C[C@H](OC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 920543562 RDWORLIFKKHHNB-CVEARBPZSA-N 488.500 2.248 10 20 JECD COCCNS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 920867269 RMDZVQOGGCJNLN-SFHVURJKSA-N 476.599 2.008 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccccc1N1CCN(C)CC1)c1ccc(N2CCOCC2)cc1 920927363 VUGNQQJRBZCTGG-IBGZPJMESA-N 451.571 2.091 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cccc(C(F)(F)F)n3)C2)C1 1779511813 VAWJKIQVGCQFMS-YHCZKZFASA-N 493.438 2.374 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSc1ncccn1)C2)c1cc(O)c(O)c(Cl)c1 1781122834 UAISNFANHAULCO-VGOFRKELSA-N 492.985 2.461 10 20 JECD COc1cc(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)ccn1 1782003065 ANUJDEGIHGFVHG-HSZRJFAPSA-N 475.929 2.231 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)n2cncn2)C3)cc1 1799622360 LXCHTLRVYCVYJO-DXKRWKNPSA-N 462.554 2.150 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1onc3ccccc13)C2)c1cc(O)c(O)c(Cl)c1 1799768358 USBSRURORFTLIS-IVWMJMPLSA-N 457.870 2.409 10 20 JECD COc1cc(C)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1801708172 WMMKJVBRWWRPHT-KWIBEYCFSA-N 468.506 2.037 10 20 JECD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(Cl)c1 1801794996 QDMBZRWXUBBOSK-RSQQPWMTSA-N 496.951 2.345 10 20 JECD Cc1cc(F)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802082628 WVULBVLLCWWDKY-PTWWBONBSA-N 456.470 2.168 10 20 JECD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)[nH]1 1803818202 NKQZWQOTCVCOTC-UDGCLTLRSA-N 463.494 2.263 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3[nH]ccc3n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996219 OFPYMAKLKQGAPL-OYHNWAKOSA-N 458.478 2.398 10 20 JECD Cc1nnsc1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1808650501 SDURWSVQGVSRFY-LFSKPYRXSA-N 481.534 2.391 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1c[nH]c2cnccc12 1810062775 IGGSMYWHVXDGPM-NYHFZMIOSA-N 458.478 2.398 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2nccc3occc23)[C@@H]1c1cccnc1 1814189576 SMKTZUAEBWSRRN-YCRPNKLZSA-N 495.586 2.403 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146493 LLMURRGCLBBSEX-GOSISDBHSA-N 489.492 2.315 10 20 JECD COc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)nn1 1818147112 REKKHVLYLDUYIC-LJQANCHMSA-N 488.508 2.307 10 20 JECD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)n1ccnn1 1821726222 JTLAXJHSAHLUQL-KQOCBEFLSA-N 467.486 2.085 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2S)CC1 1823759630 AXKPEZOWOJWXQG-MRXNPFEDSA-N 478.665 2.464 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(N3CCOCC3)n2)CC1 1827847840 LAYYVRPGYXKCGO-NRFANRHFSA-N 495.580 2.272 10 20 JECD CC[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)N(CC)CC 1828239707 DBPOVSODTROPCE-JSGCOSHPSA-N 483.685 2.036 10 20 JECD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1830669606 DNIJSSSEJSNJAD-LDVBQKTRSA-N 482.537 2.496 10 20 JECD Cc1ncccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1832640237 OYEJYQHYHDTWEM-XMMPIXPASA-N 489.956 2.157 10 20 JECD O=C(CN1CCCCC1=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878288 JLHWEVNBJGJGAP-CSNYQSHPSA-N 485.581 2.449 10 20 JECD O=C(c1cc(O)ccc1O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902068 XCXYBQPLSGKOFD-QGZVFWFLSA-N 477.608 2.191 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cncnc4)CCO3)C2)cc1 1833124988 CZKDSHNCYXFGSK-HHHXNRCGSA-N 489.576 2.197 10 20 JECD Cc1c(F)ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1N 1835872972 IBSFLJWCPYAEHO-QHCPKHFHSA-N 493.919 2.165 10 20 JECD CNCCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837866650 MMWYECVVEYNFCK-UHFFFAOYSA-N 453.967 2.363 10 20 JECD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1838928868 RDWNKBACVIYZOD-HSZRJFAPSA-N 476.913 2.144 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)c(F)c1)CCO2 1839299429 CRWNNDFZHFUDTF-NRFANRHFSA-N 499.417 2.035 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncccn4)C3)C2)cc1 1839348809 NEURYEDVBSPABY-SANMLTNESA-N 475.549 2.268 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1846200937 ZREPOLVGMAPSKH-HXUWFJFHSA-N 495.580 2.382 10 20 JECD COc1cc(/C=C2/CCn3c2nc2cc(C(=O)O)ccc2c3=O)c([N+](=O)[O-])cc1OCC(=O)O 518075076 KSFWOSAQLRUGKC-WDZFZDKYSA-N 467.390 2.419 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc(S(N)(=O)=O)c(Br)s1 744685526 PVEFGMCBIMXFEL-UHFFFAOYSA-N 490.401 2.039 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 915025135 VVTAMQREJTWOPF-UHFFFAOYSA-N 476.599 2.081 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnc(SCC(N)=O)s3)cc2F)C[C@H](C)O1 917186630 MEAXOBRXJUAVEZ-RYUDHWBXSA-N 485.632 2.277 10 20 JECD CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 917918612 QWXIFDQJXQKBEM-JFIYKMOQSA-N 457.568 2.049 10 20 JECD COC(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)nc1 918944567 LMZYDAYARJNPAZ-GASCZTMLSA-N 459.474 2.094 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 919806142 NAVMNRBBJDGMEW-UHFFFAOYSA-N 489.575 2.064 10 20 JECD O=C(CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1)Nc1ccccc1 1777846514 LQNOUQZCZZSOGR-FQRUVTKNSA-N 496.564 2.429 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1778753243 JPWPBRZLQCTXKI-QFIPXVFZSA-N 456.886 2.385 10 20 JECD COc1ccsc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1779847972 BLEWEXZOIOUJCU-WTCGPSRQSA-N 460.508 2.030 10 20 JECD CCCC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781121856 CJULAXHQGDWOQD-CGROQTEOSA-N 481.977 2.184 10 20 JECD CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781755200 HCYMEICCDOFNJS-DFBJGRDBSA-N 452.555 2.062 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCn4cncn4)CCO3)C2)cc1 1781755836 UTCLPCUHXBJDIJ-VWLOTQADSA-N 462.554 2.219 10 20 JECD Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)no1 1782464066 JUIGAHDMEHQOQW-XMSQKQJNSA-N 463.918 2.418 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1783218199 DKDFQMKFMDIENY-DCFVTEHWSA-N 487.465 2.146 10 20 JECD C[Si](C)(C)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)co1 1785506930 GOWXRETYWXPXTA-SXBBHYFQSA-N 486.597 2.099 10 20 JECD CCC[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)n1cccc1 1785508870 KPTBDAXKTSCJFU-SKEHMEGCSA-N 469.538 2.489 10 20 JECD O=C(CN1CCOCC1)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788672520 NRMSYLGHOHUALU-UHFFFAOYSA-N 475.549 2.246 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOc3ccccc3)C[C@@H]21 1792218549 LHVZFDWSSMYKIX-ZCTWNQIISA-N 482.533 2.265 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)c1ccc(Cl)cc1 1793083761 KJECTESNECEIPS-QDMKHBRRSA-N 465.984 2.021 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1)c1cc(O)c(O)c(Cl)c1 1794386814 JRPXAOQUSKKWOS-RUZUBIRVSA-N 488.928 2.009 10 20 JECD CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796600946 UIXFGXJVEYULSB-SAPPFGIOSA-N 478.521 2.094 10 20 JECD Cn1ccnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796748753 IQKZZSNYRLJCND-PLACYPQZSA-N 496.612 2.390 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799767977 HMPCRHSDUZYXEX-BCEDRHLLSA-N 460.914 2.422 10 20 JECD CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1803620273 XCNBMKGJDHLIHB-SLPTZODVSA-N 469.538 2.325 10 20 JECD Cc1ccn(CC(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1804628879 VRUNORIBRSEZSR-DBUITHOJSA-N 477.521 2.123 10 20 JECD COc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1804915669 RSKXTUKFTOJZQD-AUUYWEPGSA-N 490.632 2.332 10 20 JECD O=C1Nc2ccccc2/C1=C/C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807995603 HBZAHKUFISDMBF-OXHNBYAVSA-N 485.500 2.243 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1c[nH]c2ncccc12 1809126080 RZJCSTBHLNSKEU-FOIQADDNSA-N 494.602 2.138 10 20 JECD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n[nH]1 1810423069 WNKPLINGECZGOY-KBMIEXCESA-N 485.548 2.155 10 20 JECD O=C(Cc1cc[nH]n1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1812417968 FSPKSOBBSQVVRG-VBKZILBWSA-N 455.902 2.432 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cnc(Cl)s2)[C@@H]1c1cccnc1 1814189807 ZMPLUWJQRJTVSI-MLGOLLRUSA-N 496.039 2.371 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)[C@H]2CC=CCC2)[C@H]1c1cccnc1 1814190325 WUTPKAQPJPIQNQ-VPWXQRGCSA-N 458.609 2.304 10 20 JECD O=C(/C=C1\C(=O)Nc2ccccc21)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816724831 ANRNMYWYGJTNGN-XTCQQWIJSA-N 477.502 2.211 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-n3cnnc3)cc2)[nH]n1)c1cc(O)nc(O)c1 1817844973 QZCKWLRIAQXNQR-SFHVURJKSA-N 474.481 2.416 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cc2n(n1)CCCC2 1819093538 QOIWMMMWTGURGQ-QGZVFWFLSA-N 451.487 2.368 10 20 JECD C[C@H](Nc1nccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823498626 RHGNYVLCBBFZNB-WCQYABFASA-N 493.640 2.219 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3ccnc4ncccc34)sc2C1)c1cc(O)nc(O)c1 1824090959 FMTHZWLWAFUFPJ-LBPRGKRZSA-N 462.491 2.432 10 20 JECD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)n1 1827428340 ORMSLEKWEPGTTM-LJQANCHMSA-N 483.569 2.027 10 20 JECD Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)nc1 1832898531 OCLNPOZXIALJPK-GOSISDBHSA-N 460.625 2.484 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn[nH]c4)C3)C2)cc1 1839348572 WEYGXSPOVIVBKJ-RUZDIDTESA-N 463.538 2.201 10 20 JECD Cc1cc(CC(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)on1 1843330607 IXGRIRWQWCXYPS-OAQYLSRUSA-N 497.596 2.447 10 20 JECD Cc1ccn2ncc(C(=O)N3CC4(CCCN4C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)c2c1 1843441922 ZETKTOZRBDPZEC-UHFFFAOYSA-N 456.506 2.253 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1845501320 BJXFZVPNDNWEBV-UHFFFAOYSA-N 465.934 2.435 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1Cl 728260928 WMCZGWAIVGILPU-UHFFFAOYSA-N 463.877 2.192 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 729034223 IFWAHIOELKFDGX-CQSZACIVSA-N 465.528 2.313 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CNC(=O)Cc3cccc4ccccc34)CC2)cc1 849198990 LHCNQQDIRHUYMW-UHFFFAOYSA-N 475.545 2.399 10 20 JECD NC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 913224448 WTYXRDUIIXBRPE-MRXNPFEDSA-N 454.866 2.139 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)c2C)cc1C 914656560 UOIDHPJUWQNRAF-CTNGQTDRSA-N 486.590 2.472 10 20 JECD CCCCn1c(N)c(N(CC)C(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)c(O)nc1=O 914907801 WCANYKKOIYHCGJ-UHFFFAOYSA-N 482.541 2.344 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 918304175 QIPJZHRBUMTGLZ-UHFFFAOYSA-N 452.964 2.253 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3nn(C)c(=O)c4ccccc34)cc2F)C[C@H](C)O1 918812558 YEKKURXFRJTQRA-HOTGVXAUSA-N 482.512 2.159 10 20 JECD COCCCOc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919796055 SVLOBGOHFMXSBX-UHFFFAOYSA-N 459.518 2.457 10 20 JECD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)cc1 920482794 YKHAGCWZJUFPBV-UHFFFAOYSA-N 465.550 2.150 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc2ncccc2c1 1778456842 WGOHTFRGASGZEW-CJFMBICVSA-N 462.506 2.482 10 20 JECD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1)c1cccs1 1784379544 WIXHAHRACJNWBZ-OSPHWJPCSA-N 466.563 2.474 10 20 JECD Cc1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787540393 ZPNYCYTYUIBRKN-HARLFGEKSA-N 460.534 2.381 10 20 JECD COc1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(F)c1 1794778988 WDVZKALWHARLGE-ACHSLPGTSA-N 465.485 2.274 10 20 JECD CC(C)(C)OC(=O)N1CC=C(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)CC1 1804034521 DIMJSHAXMAYTIC-BCDXTJNWSA-N 472.542 2.312 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995236 FOMLRVNIPQUTDT-AOMKIAJQSA-N 462.462 2.250 10 20 JECD Cc1nc[nH]c1CSCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807996538 VDJJMOOLMCTHLB-OPAMFIHVSA-N 482.566 2.172 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n[nH]1 1811477575 SCXNYIFEJMHRBE-PQGDUDRBSA-N 463.494 2.263 10 20 JECD Cc1noc(N)c1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814161954 DBOZNPODPYULGB-ALTJJMMQSA-N 479.493 2.110 10 20 JECD CN1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162453 SESYXRJELHCPOU-LQFPLNRMSA-N 466.538 2.012 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CC(F)(F)C(=O)O)[C@@H]1c1cccnc1 1814163684 IEDFPRWHARFMAE-UVKZZVNJSA-N 491.447 2.028 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(F)(F)C2)[C@@H]1c1cccnc1 1814186107 XDPFHCLYFXWHRB-QIIPPGSGSA-N 482.578 2.383 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc3nc[nH]c3c2)[C@@H]1c1cccnc1 1814189559 SCTBFWNKVYCAEE-IIBYNOLFSA-N 494.602 2.138 10 20 JECD Nc1nc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)cs1 1815123679 AQWPATRAOXYTQN-LLVKDONJSA-N 481.563 2.201 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cnccc1F 1817736695 OKZVEAGOKWYOFW-CQSZACIVSA-N 462.532 2.110 10 20 JECD COc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)nn1C 1820377915 OKJOLHBGAWIRFG-LJQANCHMSA-N 490.524 2.251 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)CC1 1825383215 OHEPGFDIRNONGB-JCOOBLOPSA-N 467.522 2.384 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2O)CC1 1831474441 COZZUQZNQLZSGV-GOSISDBHSA-N 475.636 2.415 10 20 JECD O=C(c1ccc(O)cc1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901164 QHZDCEMPCHEBEM-SFHVURJKSA-N 461.609 2.486 10 20 JECD Cc1cncc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1832959105 RWUODWGCVDLGBB-XMMPIXPASA-N 489.956 2.157 10 20 JECD CC(C)c1nc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)co1 1834987974 CXQSSRUZFCCSLG-UHFFFAOYSA-N 457.531 2.103 10 20 JECD Cc1ccncc1C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1835227331 CUNYHICMCLJDND-HWKANZROSA-N 480.565 2.405 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)c(F)c1)CCO2 1839010157 GNXBJMYWXGWUOJ-JOCHJYFZSA-N 482.867 2.413 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn(C)cn4)C3)C2)cc1 1839348965 WHWQAFXXPBKIHB-SANMLTNESA-N 477.565 2.211 10 20 JECD Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)n1 1839432618 SCNLVVOUQFJYOH-XMMPIXPASA-N 489.956 2.157 10 20 JECD Cc1ccc(C(=O)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1840099789 CAIMWJVTWGJTNC-XMMPIXPASA-N 488.924 2.013 10 20 JECD Cc1nc2cccc(C(=O)N3CCCC34CN(C(=O)CN3C(=O)CSC3=S)C4)c2s1 1843669585 KVRLANPCCXQSMJ-UHFFFAOYSA-N 460.606 2.282 10 20 JECD COC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1845398915 RNEKGMSUJLNUCH-QFIPXVFZSA-N 452.555 2.062 10 20 JECD O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038423 QNRTWVBDPULETO-XVNBXDOJSA-N 457.414 2.381 10 20 JECD COC(=O)c1ccc(N2CCN(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)[C@@H](C)C2)cc1 109958557 PSGQQRADUDRVKL-FQEVSTJZSA-N 466.582 2.341 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COC(=O)c2ccc(C)c(O)c2O)c1 727004277 QWKJWTULTRAONK-UHFFFAOYSA-N 466.512 2.241 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3ccc(S(N)(=O)=O)cc3)c2C)cc1 728369907 WMJBNIWQCPPKAW-UHFFFAOYSA-N 484.530 2.497 10 20 JECD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)C2CC2)cc1 750357424 DDNWHPDCZKOJCE-UHFFFAOYSA-N 490.608 2.336 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(NS(=O)(=O)c3cccs3)CC2)c1 813161010 KNGQDMAISMTYJO-UHFFFAOYSA-N 493.651 2.431 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3ccccc3C(=O)N3CCN(C)CC3)CC2)cc1 915340420 IJXYGPIIDHKGGP-UHFFFAOYSA-N 494.640 2.417 10 20 JECD Cc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1S(=O)(=O)N1CCCCC1 915732096 QBYWSUVBYCUODP-UHFFFAOYSA-N 458.584 2.491 10 20 JECD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 917381180 XSNLCKYRPVNYQR-UHFFFAOYSA-N 466.416 2.496 10 20 JECD CNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C 918287362 QIGJLAKEWZKCCB-GJZGRUSLSA-N 456.518 2.362 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(NC(=O)[C@@H](C)n4cncn4)cc3)CC2)cc1 918461467 DMRHDUIGUQUQQD-GOSISDBHSA-N 491.552 2.164 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)Cn3cc(C(=O)OC)c4ccccc43)nc12 919005502 CCDUUVHXBAZMPD-UHFFFAOYSA-N 452.423 2.096 10 20 JECD CCN(Cc1ccccc1)C(=O)CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 920050457 ANWXHBHZOXCDQA-OAQYLSRUSA-N 451.571 2.236 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)cc1 1781753515 BRUVJTVJHDXRQE-VWLOTQADSA-N 461.522 2.347 10 20 JECD CCc1[nH]nc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1Cl 1782002804 WTHNYDWCXXJPMV-HXUWFJFHSA-N 469.325 2.447 10 20 JECD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1785344260 IDQXEUYKUWWHAO-WAIKUNEKSA-N 497.976 2.498 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)nc1)CCO2 1785508436 FHQVADCIEHPFJK-PHUOZXCHSA-N 493.438 2.374 10 20 JECD CCS(=O)(=O)CC(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788671191 MUCNQWPSRPEQDJ-UHFFFAOYSA-N 482.562 2.348 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCC1 1795017852 ZPBDAURAXOCOQI-NPDDRXJXSA-N 486.613 2.094 10 20 JECD Cc1ccc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CN3C(=O)CSC3=S)C4)sc2c1 1800044382 AYCANHIEFSOYMI-YVWYUNDQSA-N 489.644 2.273 10 20 JECD CN1CCC(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)CC1 1802569314 KLADCIVRKMAXCU-SQJMNOBHSA-N 488.592 2.222 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470754 YAEOOYLOTVXWQL-QYKZUZCYSA-N 483.532 2.317 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)[C@@H]1Cc2ccccc2O1 1809588676 SRIZESKHCDLNOF-KPDCDPCYSA-N 460.490 2.211 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc2n(n1)CCCC2 1809863644 GIQCVXHXLSRPDP-OPAMFIHVSA-N 462.510 2.054 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)[C@H]1CCCOC1 1814155932 WJJDLWMAFDJIBS-MZLICYQSSA-N 475.549 2.307 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]c(C3CC3)c1F)CC2)c1cc(O)nc(O)c1 1816722132 SNGMPTUGHABUNQ-SNVBAGLBSA-N 458.475 2.229 10 20 JECD CC(C)N[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)C(C)C 1817453289 CNADXJLNDHGDPY-KXBFYZLASA-N 480.660 2.285 10 20 JECD COC(=O)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cn1 1818223287 GEDGRPYJEXEQAB-INIZCTEOSA-N 466.454 2.017 10 20 JECD Cc1cccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)n1 1823496834 PUZFWLQHRJIENZ-INIZCTEOSA-N 472.596 2.208 10 20 JECD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1)N1CCN(C)CC1 1823712266 BJUUHLQQAISILE-JSGCOSHPSA-N 494.017 2.069 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2)n1cccn1 1826867893 LPXPGIYENGLIAP-RDGOESDJSA-N 469.523 2.343 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCOC3)sc2C1 1828192348 JZSCEQGGIGFEII-JFILWDKHSA-N 459.524 2.312 10 20 JECD CCc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)nn1C 1828198370 YDVXNUXYDAHBGY-NEXMIYJRSA-N 483.550 2.495 10 20 JECD Cn1c(=O)n(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)c2ccccc21 1828387457 QLLNUVVVKKXZFH-IBGZPJMESA-N 493.564 2.080 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2ON=C(c3ccccc3)O2)CC1 1828817703 URRPFYGUCOXYBN-UQBPGWFLSA-N 480.521 2.461 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)cc1 1845399360 UBJNFFLATPSDMR-NRFANRHFSA-N 455.580 2.488 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 27399662 KUQNIHDLNXSQQM-UHFFFAOYSA-N 472.611 2.024 10 20 JECD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 116788167 JRJRMTZNEXOYBR-QFIPXVFZSA-N 454.502 2.477 10 20 JECD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)sc2C)s1 727249328 VLJAHLKNGPKFBD-UHFFFAOYSA-N 486.622 2.264 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Cc3csc(NC(=O)c4ccco4)n3)CC2)cc1 742927267 LNMIWCQYDYCRFI-UHFFFAOYSA-N 469.567 2.478 10 20 JECD CC(C)COC(=O)N1CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 749253360 FRBFDTPFBGCMFN-OALUTQOASA-N 464.582 2.466 10 20 JECD CCN(CC)c1ccc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)N3CCO[C@@H](C)C3)c2=O)cc1 813239825 WEHBTYSRLINGRG-IBGZPJMESA-N 499.677 2.228 10 20 JECD Cn1cnc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c1Cl 914563264 XUWHHHLVRKZOPU-UHFFFAOYSA-N 484.943 2.446 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(c4ccccc4OC)CC3)CC2)cc1 916235172 YQIUFWMPWMCQFB-UHFFFAOYSA-N 453.587 2.358 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(-c4nncn4C)c3)cc2F)C[C@@H](C)O1 918285964 CKOGGEDWPAFLFZ-IYBDPMFKSA-N 466.517 2.490 10 20 JECD Cc1nc2ccncc2cc1C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1778437143 QERHKVHMOQDYPX-MHZLTWQESA-N 498.543 2.175 10 20 JECD Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)cc1F 1780361510 ACGSEIVEXCIEBP-VGOFRKELSA-N 479.599 2.122 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)cc1 1781750293 AGBVQVSDOICNKK-VWLOTQADSA-N 492.536 2.343 10 20 JECD O=C(/C=C\c1c[nH]c2ccccc12)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1785176850 LDMLOSASNLOEML-PBNZUOEOSA-N 462.506 2.281 10 20 JECD C[C@@H](C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1)n1ccnc1 1792314672 NTDRVXQLFZMYFB-AWEZNQCLSA-N 457.581 2.439 10 20 JECD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc(C)c1O 1796482765 XQFQODVSKHEFKY-BBIADKPPSA-N 476.533 2.005 10 20 JECD CC[S@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1797608488 UPFRHKBHZAJDCF-FINLDYFPSA-N 471.623 2.456 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1ccc(-n2c(O)nnc2O)cc1 1800716615 NBGOLHBHWKCSRF-RBVVOMGSSA-N 499.911 2.309 10 20 JECD CO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1802385237 PPSRVIZZDIVASO-CMWLGVBASA-N 474.602 2.378 10 20 JECD C[C@H](NNc1ccccc1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1802516270 GZYBCHCNVCPENG-PRCFCKQXSA-N 476.537 2.213 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)[C@@H]1CCCCO1 1802590542 YEFFHDSQFOFSCQ-ZCTWNQIISA-N 467.522 2.487 10 20 JECD COc1cc(CCC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccn1 1804275211 CZDUBSALSOUBAS-KOSHJBKYSA-N 477.521 2.244 10 20 JECD Cc1cc(C)n2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CN3C(=O)CSC3=S)c2n1 1804336394 UCVFRMFWJWCINV-MUJYYYPQSA-N 471.608 2.063 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)c3cnc(OCF)cn3)C2)CC1 1807653922 OSQKNIOEQRGXJH-HWKANZROSA-N 486.500 2.457 10 20 JECD CC(C)Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n(C)n1 1807850531 HGVKFEGKZVCXMB-HXOBKFHXSA-N 478.553 2.453 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)COc2cc(Cl)ccn2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996147 YUNYUDZFPHQPSC-OYHNWAKOSA-N 483.912 2.335 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc3ccnn23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998257 BZYMDVIMZOMQRH-KSFYIVLOSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCCO2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808464869 PYNGEYMSZGTNRU-NGYIFUPDSA-N 475.549 2.449 10 20 JECD COc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1814185973 VYIJYOISIFPYTC-KUHUBIRLSA-N 490.632 2.332 10 20 JECD CO[C@@H](C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccc1 1814186812 XMKSABOBBLLRBL-YUXAGFNASA-N 498.630 2.335 10 20 JECD CN1CCC[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815488906 RYSCEJHWJDFUJJ-UXHICEINSA-N 463.542 2.289 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1ncccn1 1816503099 QXQKNBFRETWUNS-SFHVURJKSA-N 458.482 2.299 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3[nH]ncc23)[nH]n1 1823497234 BEXPSWXSFOUKDY-MRXNPFEDSA-N 483.579 2.452 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823711333 ZZDJSSXXFIYIRI-GXSJLCMTSA-N 464.931 2.124 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cnc(OCF)cn2)CC1 1825546760 WKQDYTRTFYYEBG-QGZVFWFLSA-N 459.478 2.136 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3[nH]ncc3c2)CC1 1828520785 TXINTCRUYQEEPZ-SFHVURJKSA-N 450.499 2.311 10 20 JECD O=C(c1[nH]nc2ccncc12)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902823 YOVCOVNCQSTGKM-QGZVFWFLSA-N 486.623 2.052 10 20 JECD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)no1 1832929071 DCNCBBLUXLIBIC-SANMLTNESA-N 493.564 2.098 10 20 JECD Cc1cc(C)c(OCC(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)c(C)c1 1841531376 KFTPLOKXCKCBEO-UHFFFAOYSA-N 461.609 2.054 10 20 JECD CC[C@H](C)[C@@H](N)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1842891814 MMWDKNUHRFBQRQ-IOMROCGXSA-N 487.645 2.281 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)OCCN1CCNC1=O 726388837 JFFYWJKPHPQOCJ-UKTHLTGXSA-N 470.370 2.219 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3c(F)cc(OC)cc3F)CC2)cc1 726792900 ICWCTTHIAYWAGA-UHFFFAOYSA-N 455.527 2.473 10 20 JECD CCOC(=O)c1c(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)n[nH]c1C 727244585 CIKDERUVINQBAZ-UHFFFAOYSA-N 453.502 2.048 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CN3)c(C)n1-c1ccc(S(N)(=O)=O)cc1 727528950 SOEXYTXURYIQLF-UHFFFAOYSA-N 482.518 2.145 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 728141305 BJUNSPWFLIAFMC-UHFFFAOYSA-N 456.518 2.348 10 20 JECD COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 746872088 OBOAFDHEKGQNMA-GOSISDBHSA-N 462.344 2.403 10 20 JECD O=C1N=C(N2CCOCC2)S/C1=C/c1cccc(/C=C2/SC(N3CCOCC3)=NC2=O)c1 747145056 MOVSWAPILGVPNF-HBKJEHTGSA-N 470.576 2.292 10 20 JECD COCCN1C(=O)/C(=C/NNc2nc(C)nc3sc(-c4ccccc4)cc23)C(=O)NC1=S 814318117 AWFNPJIKERLAAK-RVDMUPIBSA-N 468.564 2.357 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NCCN1CCOCC1 864674240 WKLRKQJIGMJTHX-RVDMUPIBSA-N 470.414 2.099 10 20 JECD COc1nn(C)c2nc(C)c(CCC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)c(C)c12 918337499 LOVRHNDTCGCECE-UHFFFAOYSA-N 485.610 2.078 10 20 JECD C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)CS2 919697973 PWFZVFBTGLNHJZ-CVDCTZTESA-N 470.574 2.013 10 20 JECD C[C@H](NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)c1ccc(N2CCOCC2)cc1 920869850 BPSSLZQYAGAQOC-FQEVSTJZSA-N 493.674 2.421 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CCCN(C(=O)c4ccccc4)C3)CC2)cc1 1325579783 MLOQKXGOBGNEGD-JOCHJYFZSA-N 465.598 2.421 10 20 JECD CC1=CC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)CC1 1778100578 HWHSSMFVPODYPM-KBMIEXCESA-N 450.539 2.356 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c3ncccc13)CCO2 1782005613 RDMLOPWGPCURLD-QFIPXVFZSA-N 456.886 2.385 10 20 JECD COc1ccc(F)cc1CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510663 WAYXWBZRDPPFJI-UWCCTICSSA-N 486.496 2.037 10 20 JECD CN(C)[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1)c1ccccc1Cl 1787294225 LONZWVFSKJNPHZ-JLHDJQRBSA-N 488.972 2.042 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)c(O)n1 1789311030 NXZPCLAREQZTIH-QITLCBANSA-N 461.902 2.067 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)c3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243807 MOZWHLAJAKURNA-XERREHJYSA-N 497.939 2.239 10 20 JECD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1)c1ccc(Cl)cc1 1792237159 BBPFKQFHXVBIJB-KCMWZYNZSA-N 496.054 2.284 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)cc1C(F)(F)F)C2)c1cc(O)nc(O)c1 1796140452 QKJQXNXKNXTPMH-KSPBDQMDSA-N 469.391 2.168 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1cc2cc(Br)ccn2n1 1796600637 ADCJGFFICLGSOI-QDMKHBRRSA-N 486.326 2.469 10 20 JECD Cc1ccc(COCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1C 1796924282 IWPGWPZAVMXBAB-REPLKXPHSA-N 475.636 2.319 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)[C@H]1[C@H]2c3ccccc3S[C@H]21 1804333214 IDGMQRKPQUKLGG-DXFVUHNNSA-N 473.645 2.373 10 20 JECD O=C(NC[C@H]1CCN(C(=O)COc2ccc(F)cc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807990222 GUZWSWCYAVNSKB-MWTRTKDXSA-N 466.469 2.426 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994345 UQEGBTSWHCQBHN-ZZMYJAJDSA-N 479.449 2.422 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814190018 OHXAQBVSSXBKQW-NRJQMVOHSA-N 498.630 2.415 10 20 JECD CC1(C)CC(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)C1 1814193008 ZRMGEBPQOQBOAZ-DNVCBOLYSA-N 460.625 2.384 10 20 JECD COc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1 1816722011 AEHIWBUTTNOECD-CQSZACIVSA-N 454.508 2.426 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccn2ccnc12 1819110575 QIQJEIUUNOXQKH-OAHLLOKOSA-N 483.579 2.224 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1cc(O)no1 1819873868 XTDISJCYZLHWDN-MRXNPFEDSA-N 463.454 2.202 10 20 JECD Cc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1835042570 VBDHENNYOPFXFI-XMMPIXPASA-N 474.941 2.372 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccc(-c2cc[nH]n2)cc1 1836459444 AITOCWHLZSYVTO-UHFFFAOYSA-N 490.564 2.382 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)c3cocn3)CC2)CC1 1837565640 DDDDOXFSGLDKCC-UHFFFAOYSA-N 465.510 2.080 10 20 JECD CCCCC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1839906113 KWQQYUNETLPSLK-DYECNDOXSA-N 476.570 2.489 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2ccon2)C1 1842539178 FEEYRNGKKYMSGX-LJQANCHMSA-N 469.542 2.210 10 20 JECD O=C(c1ccc(-n2cccn2)cc1Cl)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054735 MOPLASWAQBHPBC-UHFFFAOYSA-N 490.010 2.203 10 20 JECD O=C(c1cccc(Br)c1F)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054831 UCOMAJKNNMBYLI-UHFFFAOYSA-N 486.388 2.266 10 20 JECD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCc2ccc3c(c2)CCCN3C)c1OC 109460584 GAFNIBYBXUZCNV-UHFFFAOYSA-N 489.594 2.037 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc4c(c3)NC(=O)CN4)cc2F)C[C@@H](C)O1 727524034 REMZXABGDXVMSI-HUUCEWRRSA-N 470.501 2.277 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC(CCN4CCOCC4)CC3)cc2)C1 729600044 VDTVDUVFMLHNQS-QFIPXVFZSA-N 457.619 2.032 10 20 JECD COC(=O)[C@@H](F)C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 814330301 PKTSLQPYAPVGSZ-KRWDZBQOSA-N 498.423 2.053 10 20 JECD Cc1ccc(CC(=O)OCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cn1 919487715 YICYNMKCXIREQC-OCKHKDLRSA-N 499.570 2.222 10 20 JECD CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919698251 ZBHLCQVLTKPPTC-UHFFFAOYSA-N 498.584 2.123 10 20 JECD C[C@H](C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 919855166 HPPRNCSSOOCENP-RLLQIKCJSA-N 494.571 2.122 10 20 JECD COc1ccc2[nH]cc(/C=C/C(=O)N3CC[C@]4(C3)CN(C(=O)c3cc(O)nc(O)c3)CCO4)c2c1 1781387345 RGTQUUVTPDQLJL-PDXRRZLKSA-N 478.505 2.140 10 20 JECD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)n1cccn1 1782559512 YLOLZMVLRIJOJF-GKIWIXTESA-N 462.934 2.336 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)CSC1CCCC1)CCO2 1785503571 KRZLDVFUPSTOPF-DRGXBFSJSA-N 462.568 2.322 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 1785510074 LWZBJZGDGRZSHF-VWLXRYFESA-N 487.440 2.008 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cnc2ccccn12 1787933980 MRORDLSQRINTRD-RFUYNDQBSA-N 470.913 2.306 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4c[nH]c(=O)cn4)C[C@@H]32)cc1 1790126064 NWRQNFMEEKQQGO-RRPUWOKSSA-N 475.549 2.085 10 20 JECD Nc1ccccc1/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792218553 LJOAEBBNVQBHLR-IVJPNDJTSA-N 479.533 2.092 10 20 JECD CCOC(=O)c1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)ccn1 1799414029 CDUJGWSHJPSRNI-DTUWPTEXSA-N 481.505 2.340 10 20 JECD Cc1c(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cnn1C 1805932311 HRNRHMZTOJDDTL-LFXIQIKPSA-N 477.521 2.273 10 20 JECD O=C(COc1ccccc1F)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1812782163 KXEBVMOEXIJKDB-MWTRTKDXSA-N 466.469 2.426 10 20 JECD CC[S@](=O)CCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814164108 QYDHOYACYSLFRJ-GFHCEOJBSA-N 487.578 2.076 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cc(C(F)F)no3)sc2C1 1815836437 QFJVPLJMFSUEAR-SSDOTTSWSA-N 487.535 2.155 10 20 JECD O=C(Cn1ccncc1=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1821658446 FJCLRBVSLICSGD-HNNXBMFYSA-N 472.889 2.037 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)COCc2ccccc2)[nH]n1 1823497216 SIAURKMKOZUCCC-KRWDZBQOSA-N 487.607 2.479 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cn3ccccc3n2)[nH]n1 1823498223 OGZCIISLKLSWPR-HNNXBMFYSA-N 483.579 2.224 10 20 JECD Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)o1 1823500966 KIRRPPBXMPLPQC-HNNXBMFYSA-N 461.569 2.406 10 20 JECD C[C@@H]1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CN1C(=O)OC(C)(C)C 1843248943 WGGKLZURHYTNML-HZPDHXFCSA-N 474.558 2.345 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249028 OYMRMEIQWHOODC-QFIPXVFZSA-N 460.531 2.099 10 20 JECD O=C(c1cc(I)ccc1F)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251309 SAYOMEZYYFXXPU-UHFFFAOYSA-N 497.264 2.367 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2ccc3[nH]nc(Br)c3c2)C1 1844135274 UIWOBHAKZDVXCH-UHFFFAOYSA-N 472.299 2.262 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cc3c[nH]nc3cc2Br)C1 1844685946 SFKUFJLJAZCIHN-UHFFFAOYSA-N 472.299 2.262 10 20 JECD COc1ccc(N2CCC(NC(=O)CCNS(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 726563188 ZYSTYWTWJIELAZ-UHFFFAOYSA-N 477.583 2.166 10 20 JECD COC(=O)COc1ccc(S(=O)(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)cc1 727251210 OXJASFIBPDVSSH-UHFFFAOYSA-N 472.508 2.138 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(CN4CCC(O)CC4)cc3)cc2)C1 729600027 UVIJXXBMMYWBSJ-QHCPKHFHSA-N 479.625 2.344 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3cncc(Br)c3)cc2)C1 744243716 KFRPCTDKZVKMSJ-CQSZACIVSA-N 453.362 2.024 10 20 JECD CS(=O)(=O)Cc1ccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)o1 751104864 ZZXZIDLEURGFSG-UHFFFAOYSA-N 473.530 2.010 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc4c(c3)OCCCO4)CC2)cc1 915743674 LFKZUXWSAMYKTD-UHFFFAOYSA-N 468.554 2.124 10 20 JECD CCNC(=O)c1ccc(CNC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 916196833 QFQTYRWYJGJCGB-UHFFFAOYSA-N 453.587 2.456 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)cc2F)C[C@@H](C)O1 918219094 DRDIQSXMURBOBN-SCTDSRPQSA-N 470.611 2.443 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 918283360 GXRHLQXVDABHQA-UHFFFAOYSA-N 454.502 2.153 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 918285091 XIONSJKBASZMFM-UHFFFAOYSA-N 482.434 2.209 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 918442194 GUJVQPPJFPQRLQ-UHFFFAOYSA-N 481.521 2.147 10 20 JECD O=C(COC(=O)CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccc(N2CCOCC2)c(F)c1 919018608 YHFOICSOJNKAMM-UHFFFAOYSA-N 491.903 2.473 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(-n4cccn4)nc3)cc2F)C[C@@H](C)O1 919052871 OMUBPKPQPWIEHO-IAGOWNOFSA-N 467.501 2.493 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccccc3CN3C(=O)CCC3=O)CC2)cc1 920786271 IMZQICULQSAKQH-UHFFFAOYSA-N 464.522 2.022 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777851269 DYVYGECOTFHKRX-KIWQOVNZSA-N 452.511 2.119 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncc(Cl)cn1)C2 1783219801 CWOLPVMDOYKZNL-FKSJFJBLSA-N 488.928 2.088 10 20 JECD Cc1cc(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)cc1F 1783247161 VDBVQRVSCKCCFR-VGOFRKELSA-N 497.589 2.261 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)cc1 1784037970 HHRQDVLMCMPFQK-QFQXNSOFSA-N 464.566 2.064 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)cc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540169 LLRYHGUTOBQERY-XJABCFGWSA-N 464.497 2.212 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCS(C)(=O)=O)C[C@@H]32)cc1 1790125409 GTWKNPZOERQJHD-PMVMPFDFSA-N 487.622 2.122 10 20 JECD O=C(Cc1cccc(C(F)(F)F)n1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796598968 RLRZFIVMPONVJO-QDMKHBRRSA-N 450.417 2.401 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc2cccnc2s1 1796911444 OBPKSJHWSBNQHZ-UUYBIMOCSA-N 481.530 2.330 10 20 JECD CC1(C)Cc2cccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=C/c3ccc(O)c(O)c3O)c2O1 1802080110 KPGORZRJZHPYGQ-JWMIDBARSA-N 494.544 2.434 10 20 JECD CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)N(CC)CC 1803705807 KUMQZNDDJNUAML-WAOWUJCRSA-N 491.683 2.068 10 20 JECD CN(C)C(=O)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1803977301 HPKJFEYMVDCQKR-LDEDEHCMSA-N 479.533 2.470 10 20 JECD O=C(Cc1ccc(F)cc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1806576460 ZFEJBVMDXZWSGW-VGSWGCGISA-N 486.594 2.330 10 20 JECD Cc1nnc(CCC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)s1 1807993525 JUDISKXWAPCEEO-YCRPNKLZSA-N 468.539 2.000 10 20 JECD Cc1ncc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)s1 1807997809 DRLHFKVZDCEPFK-QVKFZJNVSA-N 453.524 2.215 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807998768 FONBPJOWWAZSTB-ZJBJCVSYSA-N 455.559 2.185 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccno2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808464263 KDOXWUKDXHCSQS-VGOFRKELSA-N 458.478 2.182 10 20 JECD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n[nH]1 1810424202 FJUSSXIHAOLJFQ-WXYAUJHGSA-N 477.521 2.192 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)CC2)C1 1810555071 ZTDBHLNWLUNYQU-CYBMUJFWSA-N 493.486 2.495 10 20 JECD O=C(CC1(O)CCC1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813635473 XPXUVDYBIIYILC-NTKDMRAZSA-N 475.549 2.185 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)Cn2cc(Cl)cn2)[C@@H]1c1cccnc1 1814162580 MFTORLXMSGBPSN-TXXGBIHESA-N 497.939 2.468 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccncc2O)[C@@H]1c1cccnc1 1814164136 RVCINZANYKXDAG-TXXGBIHESA-N 476.489 2.332 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1Cc3ccccc3O1)CC2)c1cc(O)nc(O)c1 1816725250 GPVVVJLCHOWQTE-CJNGLKHVSA-N 452.492 2.179 10 20 JECD CC(C)O[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1819511965 OCLGTSITVUHMSY-OCCSQVGLSA-N 453.590 2.076 10 20 JECD O=C(Cc1cnccn1)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708336 UALCJIPMJCSCNR-NSHDSACASA-N 459.915 2.466 10 20 JECD Cc1nc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)no1 1825178340 DTSAWUORBREXTI-NRFANRHFSA-N 478.553 2.333 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccccc2=O)CC1 1827097687 LJIOWEYDVSKQPO-QHCPKHFHSA-N 489.576 2.261 10 20 JECD Cc1ccncc1C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835226787 YWXODMGZVJKKIS-UHFFFAOYSA-N 488.592 2.368 10 20 JECD Cc1nocc1C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1837517811 OBTPSKRFFJAATM-HWKANZROSA-N 471.510 2.425 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)C1 1843251339 VDLLAVWHBDPYRR-QHCPKHFHSA-N 474.558 2.347 10 20 JECD Cc1c(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)ccc2c1OCCO2 1843295276 FAJXBTKQWFFQHZ-UHFFFAOYSA-N 474.517 2.376 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@H](C(=O)N1CCCC13CN(C(=O)c1cc(O)nc(O)c1)C3)C2 1845080453 DBRSOVHNCYHDDS-NXHRZFHOSA-N 486.569 2.345 10 20 JECD COc1c(Br)cccc1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1845325886 WCEVGOVGQFRLNS-UHFFFAOYSA-N 498.424 2.135 10 20 JECD CCN(C)[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1845747098 OPKUFPWKMWLHRQ-WIYYLYMNSA-N 487.645 2.248 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1 1847211368 HKGPXSWHICVKDU-KEEVIKFDSA-N 453.451 2.169 10 20 JECD COc1ccc(N2CCC(NC(=O)N3CCN(CC(=O)N4C[C@H](C)C[C@@H](C)C4)CC3)CC2)cc1 726716755 PLVMQRYOXNKTEH-NHCUHLMSSA-N 471.646 2.496 10 20 JECD CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cn1 727615679 PGMKPEDXWGOQBD-QGZVFWFLSA-N 496.568 2.385 10 20 JECD COc1ccc(N2CCC(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)CC2)cc1 728211767 GCXZDRNLPBCIKS-GOSISDBHSA-N 475.615 2.221 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CNS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)C1 729327427 DCYPKISMJRWKGT-INIZCTEOSA-N 498.527 2.002 10 20 JECD CNC(=O)COc1ccc(NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 729581638 NCJSUYUOQBFSNR-UHFFFAOYSA-N 493.543 2.389 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)cc2)C1 751348434 AEUAZNXPAYXVRG-RTWAWAEBSA-N 488.592 2.433 10 20 JECD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920881215 DQZNQRZKQZJQAZ-HNNXBMFYSA-N 450.543 2.092 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccn4cncc4c3)C2)C1 1778658747 UEIHOPXQDICECT-JOCHJYFZSA-N 456.886 2.156 10 20 JECD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)ccc1F 1780948077 OXHUOULOCMTIBV-VGOFRKELSA-N 479.599 2.122 10 20 JECD COc1cccc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1C 1784925337 IIDCTNYVONZQIS-PMDNVAFQSA-N 468.506 2.277 10 20 JECD O=C(Cc1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1787062617 RULPAUZEEPGQNU-LRQRDZAKSA-N 466.563 2.063 10 20 JECD CC(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)[C@H]2C1 1787399898 YRCMIDQDVYXQQT-UVUJQTEASA-N 488.629 2.340 10 20 JECD COCCOCCOCCC(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1791482931 CPEDGNLIYGCWOD-UHFFFAOYSA-N 473.526 2.310 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSCC(=O)O)C3)cc1 1799622273 APCOFRIYAIKACS-BBIADKPPSA-N 471.579 2.115 10 20 JECD CN1CCC(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)CC1 1802576097 ZVGBLLJAVRYVAG-KCYAGCKNSA-N 480.565 2.259 10 20 JECD O=C(Cc1cnccn1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1803299744 DKSKXLFBEICYEL-VFNWGFHPSA-N 467.913 2.499 10 20 JECD CCC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1803434597 NPOSAPHWHOSXKE-RCDCFZSISA-N 474.945 2.381 10 20 JECD COc1ccnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)c1OC 1804288685 AMVJEEIBLORPPG-SEDYWJOHSA-N 469.494 2.181 10 20 JECD COc1ccc([C@H]2C[C@@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1 1804334623 UXTVHXVTSIOXLX-DARIXABFSA-N 473.620 2.297 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnoc2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468117 ONPUUDYJNBLPDU-JTSKRJEESA-N 458.478 2.182 10 20 JECD Cc1n[nH]cc1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1811495905 UNWMVUYLNMQESC-PQGDUDRBSA-N 463.494 2.263 10 20 JECD O=C(Cn1ccnc1)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1816545045 ATGKHYHROGFKKG-LJQANCHMSA-N 460.498 2.091 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccc4c[nH]nc4c3)sc2C1 1816802620 ULWYVVGLEGLMNL-LBPRGKRZSA-N 486.604 2.106 10 20 JECD O=C(CSc1nc[nH]n1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1826670967 JITCYWPSMAKFBA-VIFPVBQESA-N 480.959 2.344 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1ccco1 1834107044 PYHHNNZIOQHINE-GQCTYLIASA-N 455.511 2.295 10 20 JECD Cc1ccnc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)c1 1835155241 PSWICJXTNMUWHN-HWKANZROSA-N 480.565 2.405 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccn(C(F)F)n3)CC2)CC1 1838029885 MPSVYVLPZCVZOB-UHFFFAOYSA-N 465.457 2.010 10 20 JECD Cc1occc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839431903 VGEIXDAHRPHTTP-NRFANRHFSA-N 450.875 2.036 10 20 JECD C[C@@H](Cc1ccco1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433326 RJFOEOOFEBPRCC-NPMXOYFQSA-N 478.929 2.293 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3ccccc3F)C2)C1 1839433873 XIIKIGCFSYZVJJ-JOCHJYFZSA-N 464.877 2.274 10 20 JECD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1)c1cccs1 1840375119 NSHLOXFGVBGGQP-CJAUYULYSA-N 496.589 2.101 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)s3)C2)C1 1840880282 HHRGRBNYMYMZOR-AOQYBADCSA-N 494.953 2.302 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CN(C(C)=O)c4ccccc4O3)CC2)cc1 24088897 LTWDOPOYUFKREO-DEOSSOPVSA-N 452.555 2.138 10 20 JECD COc1ccc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1[C@@]1(C)NC(=O)NC1=O 731038006 BLMIBGJRCNKKDR-XMMPIXPASA-N 486.594 2.465 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)cc1F 731409179 MRZPIQMNTZBPOV-UHFFFAOYSA-N 455.494 2.220 10 20 JECD CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 742927476 RVMBBLMJYNKVFQ-IBGZPJMESA-N 474.627 2.324 10 20 JECD CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 913361310 QADBSGXIFNZLTD-ZSRMJVKVSA-N 495.648 2.352 10 20 JECD CC(=O)N1CCc2cc(NC(=O)C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc21 918442277 DFZHUCZKAGBHEU-UHFFFAOYSA-N 450.539 2.059 10 20 JECD C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 919655188 UDYHDDUUKGXZCR-FXAWDEMLSA-N 487.626 2.199 10 20 JECD C[C@@H]1CN(CCCNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C[C@@H](C)O1 919783881 WWFAHGBUOWMJMN-WOJBJXKFSA-N 485.608 2.241 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 920190315 DHZXHGJMEZRNDY-UHFFFAOYSA-N 458.584 2.023 10 20 JECD Cc1cc(C(=O)COC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c(C)n1-c1cccc(F)c1 920604186 GQJYPSFGQVDYLF-UHFFFAOYSA-N 466.469 2.162 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3cc(Cl)ccn3)cc2F)C[C@@H](C)O1 1321913720 WIBIHFJIAGJCKQ-GASCZTMLSA-N 492.935 2.077 10 20 JECD Cc1ccccc1NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777848062 IHYSHKBBJKKDBW-NTKDMRAZSA-N 454.527 2.041 10 20 JECD COc1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1 1777849732 ZZAMARRGTIYJDJ-KWALNSLNSA-N 481.549 2.433 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1781556651 PIRGJQFERCMMSM-GTYDBAGRSA-N 487.440 2.008 10 20 JECD COCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753465 INUZOMWYJGCLSY-VWLOTQADSA-N 455.555 2.201 10 20 JECD O=C(/C=C/c1cnccn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1782619347 NGYBPVQURXVDQY-ROQWUKPNSA-N 472.929 2.382 10 20 JECD CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1782646889 DMPMDKLFFQQECZ-RUZDIDTESA-N 483.638 2.022 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CCCO4)C2)C1 1784965500 NHDUJOCCRDDCHY-ZWDKTXKMSA-N 480.517 2.285 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)C[C@@H]21)c1cc(O)nc(O)c1 1787294518 VJRCGFDVUQKKAC-XPYUAMARSA-N 471.941 2.470 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCC(F)(F)F)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537229 GUTZJXKBCBBSLM-IEZWGBDMSA-N 480.487 2.492 10 20 JECD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1)c1cccs1 1796482756 WSMHAXDWYDUNJI-FSTVOOFJSA-N 466.563 2.234 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(Cl)c1)C2)c1cc(O)c(O)c(Cl)c1 1799767227 CLSWPBNTMMFMTH-DPIQGUFMSA-N 468.293 2.022 10 20 JECD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1801964787 RTNNRSHGTBJFQZ-CXHZTBPHSA-N 497.976 2.258 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)C(=O)c1ccco1 1804324038 VJJVVMQYUWIITO-JPYJTQIMSA-N 485.500 2.356 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3cccnc3n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996555 VGKSEYYPAXZSBF-VGSWGCGISA-N 470.489 2.464 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3cccnc3nc2O)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999752 MYXNGVLUANSCBT-KKSFZXQISA-N 486.488 2.170 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)CC2)C1 1810546306 BKBMFFCYPYKKNA-UHFFFAOYSA-N 462.510 2.437 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cnc(Cl)s1 1811034933 FPHNFMFUAQDRAY-BLLLJJGKSA-N 496.039 2.371 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cccc(F)c1 1811807642 FFJOQHJPNMVFFH-OXQOHEQNSA-N 472.567 2.401 10 20 JECD O=C(/C=C/c1cnc[nH]1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813302304 YUEKEDLSSBRBBH-CENVLDHOSA-N 475.505 2.354 10 20 JECD CC(C)(O)CC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162153 HCDQPGQRUUMFPV-SAWCTTBHSA-N 455.511 2.079 10 20 JECD CCC1(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)COC1 1814166059 NGWHDTJZYKBGIV-GLCUETTDSA-N 467.522 2.344 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc3n[nH]cc3c2)[C@@H]1c1cccnc1 1814189102 LZMGYTONKWYFPU-IIBYNOLFSA-N 494.602 2.138 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1814197012 PROCXSYXDVMFAR-QUZZAMIASA-N 489.532 2.026 10 20 JECD Cc1noc(C)c1CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815946672 CSVVQAZVSACBCR-INIZCTEOSA-N 490.611 2.500 10 20 JECD CCCc1onc(C)c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1817659151 JHMNFRVHBUXNLR-NSHDSACASA-N 493.636 2.478 10 20 JECD CC(C)n1nc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cc1C(=O)O 1817844114 QLPMSMNDRTXNKR-HNNXBMFYSA-N 483.485 2.311 10 20 JECD CC[S@@](=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1819521884 IKIHTNOUOKYOEY-CBUHQURDSA-N 479.580 2.044 10 20 JECD COc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)nn1 1820038805 CQCKGQHEJWWKHI-IBGZPJMESA-N 488.508 2.307 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3nc4ccccc4o3)sc2C1 1823946730 JUHRWNMUFWSDTI-SNVBAGLBSA-N 487.588 2.370 10 20 JECD Cc1noc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)n1 1827145232 GLINVSQLNJCDQR-NRFANRHFSA-N 478.553 2.333 10 20 JECD Cc1cnoc1C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828198161 SQBCXYBHWRGMLI-QDBLGGKGSA-N 456.480 2.496 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)Cc1ccc(F)cc1F)CC2 1828249622 KOPDDBDQYCMSTG-GFCCVEGCSA-N 496.586 2.436 10 20 JECD O=C(c1c[nH]c(=O)cn1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740050 GVJKJZSOTMHXDD-QGZVFWFLSA-N 460.918 2.382 10 20 JECD Cc1noc(C)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898731 XPRRJSLVWDSCCB-INIZCTEOSA-N 464.613 2.385 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c(-c3ccc(F)cc3)c1)CCO2 1833611929 SUFCKERZOGWIIH-VWLOTQADSA-N 496.495 2.011 10 20 JECD N[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1ccccn1 1837875098 JZUZQSYAVLDGHE-OAQYLSRUSA-N 488.972 2.458 10 20 JECD O=C(CCCn1cccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433028 HVBFVZCDKBSCGZ-QHCPKHFHSA-N 477.945 2.103 10 20 JECD O=C(CCCn1cccc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840462110 LFGVJMLQRWHWPP-QHCPKHFHSA-N 477.945 2.103 10 20 JECD COc1cc(CC(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc(OC)c1OC 1841785363 JSOXIEUXTHSCGC-SOFGYWHQSA-N 498.532 2.289 10 20 JECD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)n(-c2cccc(=O)n2C)n1 1843132684 LVYYMGUVZIMTBT-UHFFFAOYSA-N 497.939 2.075 10 20 JECD Cc1nc(-c2ccccn2)sc1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249997 ZJEZTAFPFFXYDZ-UHFFFAOYSA-N 451.508 2.451 10 20 JECD CC(C)Cc1cc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)n(C)n1 1847039111 SAXMTUACIQZZPM-SOFGYWHQSA-N 454.527 2.266 10 20 JECD COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 18195359 CAORWBSOMXHICZ-KRWDZBQOSA-N 482.445 2.231 10 20 JECD Cc1cc(C(=O)COC(=O)c2cnc(N)c(Cl)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 728630880 XYANFSWEIGAWIZ-UHFFFAOYSA-N 462.915 2.412 10 20 JECD COc1ccc(N2CCC(NC(=O)NCc3cccnc3N3CCC(C(N)=O)CC3)CC2)cc1 729229669 CEQYTYUMUTZNAW-UHFFFAOYSA-N 466.586 2.260 10 20 JECD COCCN1C(=O)/C(=C(\C)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C(=O)NC1=S 814330511 UKYRRNUZSJPQFK-QGOAFFKASA-N 468.491 2.401 10 20 JECD Cc1ccc(C)n1-c1ccsc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 917515030 XZYIWPUJXVUZCW-UHFFFAOYSA-N 473.624 2.432 10 20 JECD CCNC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918285660 ARBBXKHDJZCUKC-IAGOWNOFSA-N 486.544 2.209 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cc(S(=O)(=O)N(CC)CC)ccc3C)nc12 918964265 SSLCYCDUXYLQLD-UHFFFAOYSA-N 490.538 2.308 10 20 JECD Cn1ncc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1-n1cccc1 919699340 KWIGTYQLPPSMPN-UHFFFAOYSA-N 460.517 2.397 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1c[nH]c(C(=O)N2CCCC2)c1 919761556 JDYPDWOATUFCBE-UHFFFAOYSA-N 477.544 2.436 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4nc5ncccn5n4)C3)C2)cc1 1777831463 DKWWEGXVAVDNGU-SANMLTNESA-N 485.548 2.289 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cn4ccc(Cl)cc4n3)C2)C1 1778061390 IGAODSJMHHJNLD-JWZSXRADSA-N 498.923 2.261 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1nnsc1C1CC1)CCO2 1782005398 CTTOMPDSJWLACO-FQEVSTJZSA-N 464.931 2.237 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)ccnc3Cl)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537294 MNOBJNBTISAFKR-QOKNQOGYSA-N 499.930 2.260 10 20 JECD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 1790126647 FDQWWOIGVOKAEQ-OHCFRWENSA-N 495.624 2.395 10 20 JECD COC(=O)CSCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1803575481 GQOGKPITOYEWHO-VBKZILBWSA-N 493.969 2.372 10 20 JECD O=C(/C=C/c1ccoc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1804324949 SEXDRRBDBXLODD-RSMHPUSESA-N 470.576 2.254 10 20 JECD CC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1806395099 IPNOXQRSPZUKDH-YICVQAIISA-N 453.495 2.287 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994315 GPYGJYXILRTKTO-HXOBKFHXSA-N 485.504 2.306 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n[nH]1 1808469479 OVHNXJGLPJNEPY-MBSDFSHPSA-N 471.521 2.226 10 20 JECD CC(C)N[C@H](C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1)C(C)C 1809947567 APAXIYDRGHHEJL-IBGZPJMESA-N 468.689 2.101 10 20 JECD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810549869 HGVMRACXBBHWEB-OAQYLSRUSA-N 498.555 2.224 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(Cl)cc2nn[nH]c12 1811436049 LUJZJRBIWGHHDU-YEJXKQKISA-N 493.911 2.446 10 20 JECD Cc1ccoc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814189678 WAHJGJSEVSOANX-MAUKXSAKSA-N 458.565 2.163 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)C(=O)c1ccco1 1817364559 VRZQLTVGYUYHKF-CYBMUJFWSA-N 477.502 2.324 10 20 JECD Cc1ccc(O)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1 1821994204 GXZYWKZCKHHHBK-LLVKDONJSA-N 476.605 2.243 10 20 JECD Cc1nc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cs1 1823495944 GBGPWQLRLSDWFM-ZDUSSCGKSA-N 464.598 2.341 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cccn3cncc23)[nH]n1 1823499978 IGCGCRRUNOSORH-HNNXBMFYSA-N 483.579 2.224 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716812 WTAUZSMIGVHFPF-WZONZLPQSA-N 481.597 2.266 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3ncnn3c1)CC2 1828199229 RTOSYWPSRKHASI-SMDADKPZSA-N 492.517 2.242 10 20 JECD Cc1ccccc1NCC(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828242656 PXMFSLIYUQBFQH-CYBMUJFWSA-N 489.648 2.336 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1828877575 DGXFBOSBCRVFOS-OJYYBLKUSA-N 488.585 2.144 10 20 JECD Cc1cccc(CC(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)n1 1833362051 KJMFETBLUCTCQC-SOFGYWHQSA-N 494.592 2.334 10 20 JECD Cc1cccnc1CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834986037 VVGPPLJGWCIINW-UHFFFAOYSA-N 467.570 2.014 10 20 JECD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)C2=O 27572604 KHMFVHCFPVMGBR-NSYGIPOTSA-N 472.586 2.391 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(CN4CCCCC4=O)c3)cc2)C1 747991798 PITVDOLPIIDCSZ-OAQYLSRUSA-N 491.592 2.156 10 20 JECD Cc1cc(C(=O)COC(=O)Cn2ccc(=O)n(C)c2=O)c(C)n1-c1cccc(C(F)(F)F)c1 915393554 BSALPSYDFDMVIE-UHFFFAOYSA-N 463.412 2.399 10 20 JECD CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 915743359 CMOMQFXDTBXHPS-UHFFFAOYSA-N 481.597 2.020 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)cc2F)C[C@@H](C)O1 918288980 YIBZXNQMDZJEFJ-ZNMIVQPWSA-N 470.501 2.414 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CCS(=O)(=O)C3CCCC3)cc2F)C[C@@H](C)O1 919336089 MAPYXGADUHZREX-IAGOWNOFSA-N 484.590 2.346 10 20 JECD CN(C)c1ccccc1NC(=O)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919799945 MDQZIUAZUVGJCQ-UHFFFAOYSA-N 477.544 2.263 10 20 JECD CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2)CC1 920924821 GEKRXPOIPRVAAN-HXUWFJFHSA-N 465.598 2.481 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)cc1 1781750282 AGBVQVSDOICNKK-RUZDIDTESA-N 492.536 2.343 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)Cc1cc(F)cc(F)c1)CCO2 1785508914 KXQNYTIDSDAJHQ-JWZSXRADSA-N 474.460 2.167 10 20 JECD CCc1[nH]nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)c1F 1785794133 KCWOBKTUKXDXAS-PKWAYOAASA-N 466.897 2.083 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cc[nH]c2nccc1-2 1787328428 UDSVZTIZRMIKPY-UVIMBBFXSA-N 470.913 2.486 10 20 JECD COc1cc(C)c(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1790288765 LMIXZBCTHMAGPC-QSFXBCCZSA-N 455.511 2.025 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@H]1C[C@H]1c1ccc(F)cc1 1792811652 DNUWPZSSMIZYMP-BXZSMWQMSA-N 482.508 2.349 10 20 JECD CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796602367 AGHDQEFYTBFUPB-YYIAUSFCSA-N 472.542 2.002 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796934437 CVGXGILONARCOF-NUZGMZIFSA-N 487.560 2.447 10 20 JECD CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1798975428 RSVUMLNTGSXPNK-IRJINJETSA-N 460.534 2.245 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1c(F)cccc1F 1799737488 LWSOSCSEBISQRO-CLLJXQQHSA-N 453.536 2.006 10 20 JECD Cc1ncsc1C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1808468555 ZTKGLMYRHOVRJS-UHFFFAOYSA-N 452.627 2.157 10 20 JECD O=C1Cc2cccc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c2N1 1812209224 BWOFCFFAHRETNH-QMHKHESXSA-N 473.489 2.016 10 20 JECD Cc1cc(C)n(CC(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1814162022 FBTLNTRXAUCQMB-NKNFQMRTSA-N 491.548 2.431 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cncc(O)c2)[C@@H]1c1cccnc1 1814166224 NZHKLPJKJFPIRN-TXXGBIHESA-N 476.489 2.332 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)Cc2ccccc2)[C@@H]1c1cccnc1 1814185597 CXBVECXXOGKRIP-XMSQKQJNSA-N 468.604 2.190 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCS(=O)(=O)c2ccccc2)[nH]n1)c1cc(O)nc(O)c1 1817844756 KBYNQOLLQNBFPK-SFHVURJKSA-N 499.549 2.386 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CNC3=O)[nH]n1)c1cc(O)nc(O)c1 1817846161 JFLQZOLJWRPKND-QGZVFWFLSA-N 462.466 2.079 10 20 JECD Cc1nc(F)ccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1819985947 BPHFTXACWRHTJT-AWEZNQCLSA-N 476.559 2.418 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CC[C@H](N)C(N)=O)CC3)cc1 1823440639 UQWNXLQPKAULKV-MJGOQNOKSA-N 494.621 2.369 10 20 JECD Cc1cc(NC(=O)CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)no1 1827659738 CPZUYDMFWBADBK-QGZVFWFLSA-N 471.514 2.051 10 20 JECD CCC1(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)COC1 1828197553 AXFVWYZBGWTUFY-GBVBUYCNSA-N 459.524 2.312 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)nc2)CC1 1829199396 WODLFOLNISWWPT-INIZCTEOSA-N 464.588 2.314 10 20 JECD Cc1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898255 IDMQNJVCDWWQTF-SFHVURJKSA-N 460.625 2.484 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc(Cl)cn3)CC2)CC1)c1cc(O)nc(O)c1 1834988734 KEOVKUQGIQLWBR-UHFFFAOYSA-N 459.934 2.040 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838030280 JMOHQDAVMIHLPW-UHFFFAOYSA-N 491.928 2.483 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)cc(C(F)(F)F)c1)CCO2 1839298239 ZGTHVQSIQFBQTD-OAQYLSRUSA-N 499.417 2.035 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1 1841003241 ASHPMZBPLXAIOS-UHFFFAOYSA-N 461.478 2.134 10 20 JECD Cc1cn2c(=O)c(C(=O)N3CC4(CCCN4C(=O)c4cc(O)c(O)c(Cl)c4)C3)cnc2s1 1845501502 WTQIVDYUENLYNP-UHFFFAOYSA-N 474.926 2.260 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)CCC2 725995656 FKLRZXJXXUDQPQ-DNQXCXABSA-N 479.577 2.019 10 20 JECD COC(=O)c1ccc(OCCNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 731282529 OORJGKVNXRDLLO-LJQANCHMSA-N 454.527 2.053 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)cc1F 731408263 HVSIBTSVHPQFNU-UHFFFAOYSA-N 492.573 2.376 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1F 731408998 HJUAQITUHZYCCY-UHFFFAOYSA-N 456.518 2.399 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@H](CC(C)C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)cc1 742916834 QBWRXWMXAAIEEU-SMIHKQSGSA-N 482.625 2.299 10 20 JECD O=C(Nc1ccc(C(=O)NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C1=S=CC=C1 916184521 UHJGKQBWZAEVMM-UHFFFAOYSA-N 458.517 2.183 10 20 JECD COC(=O)CNC(=O)c1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 916673048 CXYPXSGDHQALNG-UHFFFAOYSA-N 458.490 2.011 10 20 JECD O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)NCc1ccc(N2CCOCC2)c(F)c1 917708666 MROAEQFVARFITQ-QHCPKHFHSA-N 472.542 2.124 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(Cc4cn5ccccc5n4)CC3)cc2)C1 918117170 AHRNBZNNFYHBNK-NRFANRHFSA-N 475.597 2.063 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)cc2F)C[C@@H](C)O1 918186690 SAWYQBUZRYXSQG-CALCHBBNSA-N 475.565 2.493 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2F)C[C@H](C)O1 918288122 UCBUCEIPLFEWOW-ROUUACIJSA-N 498.555 2.167 10 20 JECD CCCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 918439635 OGCHVXVLJJDZEN-UHFFFAOYSA-N 456.518 2.182 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 919750125 QHISGFGINFBHPQ-FQEVSTJZSA-N 461.971 2.244 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NC1CCN(C2CC2)CC1 919782467 KPBVYFMIJVIVBA-UHFFFAOYSA-N 453.566 2.368 10 20 JECD COc1cc(C(=O)NCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1OC(F)F 919971607 SMEVTBGYDFUSDX-UHFFFAOYSA-N 481.471 2.443 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc(-c3ccccc3)ns1)C2)c1cc(O)nc(O)c1 1777848150 KLLNYQBCVQKLCF-MZNJEOGPSA-N 495.561 2.453 10 20 JECD C[C@H]1CCc2c(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)n[nH]c21 1777855548 HZMCRJCRLVHENF-AMXDTQDGSA-N 460.918 2.281 10 20 JECD Cc1nc2ccncc2cc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1778441095 MYTZZOGDHBIALS-SDYFHRIUSA-N 490.516 2.212 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1sccc1Cl 1779882242 YLMDFCRHNFYSLT-BFUOFWGJSA-N 488.056 2.389 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)[nH]1)CCO2 1785507288 MOIAEOCDPHJZFH-HTXHHYGKSA-N 481.427 2.307 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@H]1C[C@@H]1c1ccc(F)cc1 1792805691 CMVCEVFTXLBQKZ-ARMDJMIXSA-N 490.535 2.312 10 20 JECD CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1793376434 SFLOATJRUYWPTN-IUTQVRIDSA-N 466.582 2.212 10 20 JECD COc1cscc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1796681717 CVXRMPLTGWWNTP-DPIQGUFMSA-N 452.916 2.338 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2c(Br)cccc2n1)c1cc(O)nc(O)c1 1798252083 WFCWQRCESZNAFB-BTTYYORXSA-N 486.326 2.469 10 20 JECD Cc1cc(C)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1 1802080226 HODOOSACCPGLGD-SASNWOSXSA-N 452.507 2.337 10 20 JECD CN1N=C(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)CCC1=O 1804125408 WINJHGLNWGAPMH-VLIAUNLRSA-N 485.928 2.074 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnco2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808463321 CGTWKZVCOVNKRQ-HTAPYJJXSA-N 458.478 2.182 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)COc2cccnn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811811090 ZRQSLKFMWZFNFW-YCRPNKLZSA-N 483.912 2.335 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1cncc(O)c1 1812908432 HVRLTSIICMUTJD-MHECFPHRSA-N 484.516 2.295 10 20 JECD Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1814116743 GWSZCGWTHAPBOJ-CYBMUJFWSA-N 490.632 2.303 10 20 JECD CN1CCC[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)C1 1817361763 FWFXUOZLIWXBEF-HOTGVXAUSA-N 480.594 2.190 10 20 JECD O=C(Cc1ccncc1)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362359 WIKWLPBODXTBKI-MRXNPFEDSA-N 474.546 2.486 10 20 JECD C[C@H](Nc1nccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817845205 GAAACIQOWWPELU-SMDDNHRTSA-N 457.516 2.479 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848711 YFSLCYJAUPJNDP-SUMWQHHRSA-N 452.471 2.384 10 20 JECD Cc1nccn1[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823501529 SZLLWCBRZCOMAK-IUODEOHRSA-N 475.600 2.028 10 20 JECD O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)NCc1ccco1 1829046348 MMZREYARAVKRNQ-ROUKRRSUSA-N 482.537 2.192 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc3c2OCO3)CC1 1829602473 GSKRFNUFBZHDPB-KRWDZBQOSA-N 454.483 2.164 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CC(c3ccccc3)=NN2)CC1 1831065976 SALFHDPVKKYOIK-VXKWHMMOSA-N 477.565 2.492 10 20 JECD O=C(C[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1833683117 JPKNCNRELUFIER-XYASWCNUSA-N 487.597 2.347 10 20 JECD Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)sc1C 1838411081 VMKATIJRFGFWCO-OAQYLSRUSA-N 481.958 2.208 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)s3)C2)C1 1839433789 UMKNOOQVPIAHBL-LJQANCHMSA-N 488.349 2.245 10 20 JECD CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250923 CSYCGGWJOIAAEV-INIZCTEOSA-N 462.547 2.107 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ccc3c(c2)OCCO3)C1 1843628254 UOMVXMHYXGEIBR-UHFFFAOYSA-N 460.490 2.068 10 20 JECD O=C(c1cc(Cl)c(F)cc1F)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054829 UCIWNANJNQOWOO-UHFFFAOYSA-N 459.927 2.296 10 20 JECD CCN1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)cc2F)CC1 730681957 VLDMXLXQHDNYRN-HSZRJFAPSA-N 497.571 2.340 10 20 JECD CC(=O)c1cccc(O[C@H](C)C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 745219998 NTSCQJRQESFXND-QGZVFWFLSA-N 458.486 2.492 10 20 JECD C[C@H](NC(=O)CC1CCCCC1)C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 750236094 VLACYRIHJAJKRG-KRWDZBQOSA-N 463.550 2.297 10 20 JECD C[C@H](NS(=O)(=O)c1cccs1)C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 915023147 SYDLWCZVOALYSB-ZDUSSCGKSA-N 498.538 2.372 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)c1ccccc1S(=O)(=O)N1CCOCC1 918617022 FQLHAMJRIZPBBV-UHFFFAOYSA-N 461.609 2.191 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3cncn3c1)C2 1783222521 XFGOFOORPOJPDW-WNGUJASGSA-N 492.532 2.292 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)C1CCC(F)(F)CC1)CCO2 1785503341 IGUMJTJDQGKUPW-YSNSILARSA-N 466.481 2.472 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc(OC(F)F)cn1 1794456417 CXYOJEUMMWPQMI-DPIQGUFMSA-N 483.855 2.265 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1nc2ccccc2[nH]1 1796824220 OPCYYNQRHVQNIX-IVWMJMPLSA-N 456.886 2.145 10 20 JECD Cc1ccc2[nH]c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)cc2c1 1796896369 MVJJMDDDQTVNNX-HBNMSFMJSA-N 485.544 2.472 10 20 JECD O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1797183489 RGJUBTROICRLME-FAQVEIGNSA-N 499.951 2.001 10 20 JECD O=C(Cn1nnc2ccccc21)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800712228 CZFOYQZNZAKJEB-QDMKHBRRSA-N 455.902 2.448 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1O 1807998265 CCUVSIHLKHAFLY-HXOBKFHXSA-N 491.504 2.185 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2nccnc2c1 1809378604 PWYCOFMUBTWETQ-GAJHUEQPSA-N 470.489 2.464 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2nccn2c1 1809411541 IRSPFLNJFIIKSL-OPAMFIHVSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cn2cc(F)ccc2n1 1809847175 JYIGIBHAHMQYDE-IVZQSRNASA-N 476.468 2.308 10 20 JECD O=C(Cc1cccc(F)c1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1813880704 GOJSEWOENUQNQA-ZDUSSCGKSA-N 478.596 2.297 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3[nH]ccc3n1)CC2)c1cc(O)nc(O)c1 1816724950 FCUZQFLQDRPDEK-NSHDSACASA-N 450.480 2.365 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cccc4[nH]ncc34)sc2C1)c1cc(O)nc(O)c1 1816769458 DIXPPNNKKFFUFI-NSHDSACASA-N 450.480 2.365 10 20 JECD NC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccccc1 1817401604 UWGCLPXAEQTUPI-SJLPKXTDSA-N 450.499 2.264 10 20 JECD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1820678799 OFOPXMRUHFRBQV-UGSOOPFHSA-N 496.499 2.479 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3[nH]ccc3n2)[nH]n1 1823500145 SDFLQEYOYDTCSM-MRXNPFEDSA-N 483.579 2.452 10 20 JECD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)c1ccccn1 1823502051 ZZINTEUARYGERI-XJKSGUPXSA-N 472.596 2.461 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)C(F)(F)C(F)F)CC1 1824847862 VTSYPPILANTTQI-GFCCVEGCSA-N 469.526 2.367 10 20 JECD COC(=O)C12CC(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)(C1)C2 1827429027 CQFKAHWFOUXREA-XWFFHEKESA-N 457.527 2.069 10 20 JECD COc1ccnc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)c1OC 1829856422 JDVCREHXXLJQIM-KRWDZBQOSA-N 470.526 2.452 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCC1(F)F)CCO2 1831723755 QDBPJIZIUVNHLU-ADMRXCGISA-N 496.507 2.099 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCC1(F)F)CCO2 1831723759 QDBPJIZIUVNHLU-RNNSKVFSSA-N 496.507 2.099 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1ccccc1O 1834045663 VECICLNEMCQYJS-UHFFFAOYSA-N 489.576 2.370 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC[C@@H]3CCCC[C@@H]31)CCO2 1836701830 CCJAOKLEFMJCOD-RXPSNABZSA-N 473.570 2.169 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cocn4)C3)C2)cc1 1839348978 WWCPRWWSVJJMEM-RUZDIDTESA-N 464.522 2.466 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1839434170 RQXJFXUEFPUAJB-HSZRJFAPSA-N 486.912 2.011 10 20 JECD C[C@H](CC(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)NC(=O)OC(C)(C)C 1843378823 JVDGOEATIGYIJY-QGZVFWFLSA-N 483.569 2.286 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@H]2COc3ccccc3O2)=NN1c1ccccc1 1847758436 OKPWZYSKAUMFDQ-JBACZVJFSA-N 474.517 2.211 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(Br)cc3)CC2)cc1 23472807 FNENMGNDSPQIBG-UHFFFAOYSA-N 490.354 2.080 10 20 JECD CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC(=O)Nc1ccc(Br)cn1 729473298 WBJANXXBBCJLLW-UHFFFAOYSA-N 494.365 2.007 10 20 JECD COc1ccc(N2CCN(C(=O)CONC(=N)CCN3CCN(Cc4ccccc4)CC3)CC2)cc1 731028630 NPQKWVXFXUMOCO-UHFFFAOYSA-N 494.640 2.050 10 20 JECD CN(C)S(=O)(=O)c1ccc(I)c(C(=O)NCc2ccccc2O)c1 748344765 BOJKAZAGTIOQPX-UHFFFAOYSA-N 460.293 2.177 10 20 JECD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)c2C)cc1 913374682 AWDNQADINHDSHD-UHFFFAOYSA-N 490.516 2.478 10 20 JECD COC(=O)c1cc(NC(=O)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c(F)cc1F 915744770 VKZGACJKZMRUQL-UHFFFAOYSA-N 490.507 2.027 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)C1 917833212 NFKWGEYMHKRVSA-RTWAWAEBSA-N 484.622 2.105 10 20 JECD COC(=O)[C@@H]1CN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c2ccccc2O1 918294725 KBPIQHXBFQDYHI-NRFANRHFSA-N 450.447 2.481 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)nc12 918842703 OKTJJUOXZLALKJ-DJJJIMSYSA-N 480.477 2.366 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CCCN3c3ncccn3)cc2F)C[C@@H](C)O1 919061710 AFTWZTMOTAQBKN-FVJLSDCUSA-N 471.533 2.058 10 20 JECD CCOc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1O 1777852198 HTQAQPBJJKLQAN-HOYKHHGWSA-N 471.510 2.038 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)c21 1779977603 WAZYHADISFHXCG-QHCPKHFHSA-N 486.912 2.101 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCc3ccccc31)C2 1783247236 YLYJSVMWAPFSTM-XLNZFTOWSA-N 487.647 2.091 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1783267739 KJLZYYVZCIHVFX-NKEDHYFDSA-N 465.717 2.017 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)C[C@H]1C[C@@H]3CC[C@H]1C3)CCO2 1785510587 RGGWQLDTBZOBAA-QDPYOVSWSA-N 456.539 2.473 10 20 JECD O=C(Cc1ccccc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1786512626 QUJGICNLJTVCKN-LEDOBFOHSA-N 478.524 2.141 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)cc1OCC1CC1 1787294610 XVWCFSGRJIJPOL-JLMWRMLUSA-N 497.548 2.197 10 20 JECD COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)cc1 1787539140 STUKJPNTLXBAEF-APTRMMRNSA-N 490.560 2.010 10 20 JECD C[C@@H](Sc1cccs1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1788483986 DPWKWMCENIEJSL-QPSCCSFWSA-N 499.705 2.069 10 20 JECD CC(=O)Nc1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792221333 PHYDPRPVAMPDAD-BFPXBCCMSA-N 495.532 2.069 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncc[nH]1 1794834851 COFCDCGHQGKOFZ-IYWMVGAKSA-N 482.585 2.380 10 20 JECD CCCOc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1799005923 KXSXKNVHQPJSJQ-NXKWYNOOSA-N 490.560 2.472 10 20 JECD COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1O 1802815673 BXGUZJYHCGWUKJ-OSPHWJPCSA-N 478.505 2.164 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(O)nc(Cl)c1 1805037489 WLXUNWSVVQAYAQ-RNODOKPDSA-N 469.885 2.275 10 20 JECD O=C(Cc1ccccc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1806519901 JEZJJIFNJVLLNQ-GCJKJVERSA-N 468.604 2.190 10 20 JECD COc1nccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1F 1807717901 QAYGKBUCLFNAJA-VLIAUNLRSA-N 467.457 2.064 10 20 JECD CC(=O)C[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808470630 XJZWGBYYNPFNHH-GERBCZOESA-N 475.549 2.496 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2cccnc2n1 1809725719 OGASNTCZDLUVKU-VGOFRKELSA-N 470.489 2.464 10 20 JECD Cn1cccc1C(=O)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813479433 NADLIRYGOYQRCE-BSIOYPLDSA-N 490.516 2.139 10 20 JECD CC(=O)N[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)c1ccc(F)cc1 1816727062 CRCNPEHQIKCAJE-QRWLVFNGSA-N 499.524 2.192 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CC2)c1cc(O)nc(O)c1 1816728936 OCIVKISIVWABQY-XYWAVCLCSA-N 491.529 2.085 10 20 JECD O=C(COc1cccnn1)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1822756652 ZPXUCNXMHPHQQI-LJQANCHMSA-N 488.508 2.064 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)nn2)CC1 1829189692 CDWJDJXZFRLFLI-OAHLLOKOSA-N 482.031 2.224 10 20 JECD O=C(c1ccc(F)cn1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898220 GWXUKEDIBSBLJQ-QGZVFWFLSA-N 464.588 2.314 10 20 JECD Cn1cc(F)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902082 KAVQMMBJTDAJTK-INIZCTEOSA-N 466.604 2.258 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3cc(C4CC4)on3)CC2)CC1 1836588849 KBHGJNNPVJDCST-UHFFFAOYSA-N 492.623 2.025 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(Cl)ccnc3c1)CCO2 1839490099 IAWJYCINEJXSDY-DEOSSOPVSA-N 498.923 2.078 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1841358022 ZQCDICFKOKKATD-QGZVFWFLSA-N 483.569 2.144 10 20 JECD CC(C)(C)OC(=O)CCCC(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1841378313 RIZNEJPSZILIPK-UHFFFAOYSA-N 468.554 2.495 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2csc(-n3ncc4ccccc43)n2)C1 1842262256 KFAFPGWOUDMMSE-UHFFFAOYSA-N 476.518 2.419 10 20 JECD O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501349 FPRAGFYIXOLJDF-OAQYLSRUSA-N 485.968 2.469 10 20 JECD CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846949360 USMNCNVBTULZFY-IRXDYDNUSA-N 474.558 2.393 10 20 JECD COC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1847863604 GKQVKMQXPPYFKZ-CZGNIMDHSA-N 474.602 2.189 10 20 JECD O=C(NCCCCN1CCN(c2ncccn2)CC1)NCc1ccc(N2CCSCC2)cc1 729226976 NWDZCIPBLKKKHE-UHFFFAOYSA-N 469.659 2.431 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)CC2)cc1 742921092 NWSUJAMWYGMULY-UHFFFAOYSA-N 465.514 2.045 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)c1 784098611 BNZYVMLGOAJXPP-UHFFFAOYSA-N 493.519 2.413 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)cc2)C1 917832915 IACKWRYMOLDWAF-REWPJTCUSA-N 484.622 2.248 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)cc2F)C[C@@H](C)O1 918186691 SAWYQBUZRYXSQG-IAGOWNOFSA-N 475.565 2.493 10 20 JECD C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)C[C@@H](C)O1 918305144 DOJYXLQBBACHKO-QZTJIDSGSA-N 488.610 2.148 10 20 JECD C[C@@H]1Oc2ccccc2N(CC(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1=O 919048669 LXSIXTIFGIGJPM-KURKYZTESA-N 499.539 2.413 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)cc2F)C[C@H](C)O1 919660610 VRTCFQIXDXSHEO-KBPBESRZSA-N 456.474 2.025 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@@]1(F)Cl)C2)C1=NN(c2ccccc2)C(=O)C1 1778127385 KFIGGXVLFZDEAF-ZDZLMVPKSA-N 476.936 2.218 10 20 JECD CCOc1ccc(Cl)cc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1781744346 VHMLPWWZSFDJKY-QFIPXVFZSA-N 461.902 2.302 10 20 JECD CCC[C@@H](NC(C)=O)C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792315502 UAZACXXQPQEQOC-QGZVFWFLSA-N 476.624 2.286 10 20 JECD COc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)n1 1794288390 WSSBXYWAZSQLQP-NUZGMZIFSA-N 475.549 2.454 10 20 JECD CC(=O)N[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2)c1cccc(Cl)c1 1799836686 YMEMJDNVNTUVQO-BMQTXXJKSA-N 472.929 2.275 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804283182 MOBSASBTCFRJRQ-NHPUWBORSA-N 487.553 2.464 10 20 JECD O=C(Cc1cccc(F)c1F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804336391 SXPLSFAPPAJNLH-BTTYYORXSA-N 453.536 2.006 10 20 JECD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1804410891 IYOKRQKEMQVPKF-ADHGMGHFSA-N 474.558 2.438 10 20 JECD COc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807991133 GBDQTYNILUPRPJ-BXKMTCNYSA-N 478.505 2.295 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(C(F)F)no2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995057 WZMLVHKQFJRSKE-KPZWWZAWSA-N 459.409 2.447 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 1810546660 INXQAEGORRJIJD-LJQANCHMSA-N 453.495 2.178 10 20 JECD CS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)c1 1817842586 HYRPGRWSEUCBST-KRWDZBQOSA-N 485.522 2.239 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cnncc3C(=O)O)sc2C1)c1cc(O)c(O)c(Cl)c1 1820502114 CKBVPPPCDUOJAZ-VIFPVBQESA-N 489.897 2.236 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)[nH]n1 1823476788 NXADHSAXDWYSJT-LKUPDRCFSA-N 465.466 2.179 10 20 JECD C[C@@]1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)CC1(F)F 1823501482 RFXCBGVTNIAEHG-DIFFPNOSSA-N 457.528 2.307 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C(F)(F)C(F)F)CC1 1832896730 OASDZDJANANFPG-LBPRGKRZSA-N 469.526 2.367 10 20 JECD CC(C)c1nc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)no1 1832896962 VZYVEFUEWMKDPS-INIZCTEOSA-N 493.655 2.216 10 20 JECD O=C(COc1ccc(F)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1834964333 WJNGQJYIBNQRGE-QHCPKHFHSA-N 494.903 2.039 10 20 JECD CC[C@H](C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836886865 MIVKBLRSTDMLTJ-UUOWRZLLSA-N 484.597 2.185 10 20 JECD O=C(Cc1c(F)cccc1F)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433250 BLEUONMYZGLFRM-QHCPKHFHSA-N 496.894 2.342 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)cc1C(F)(F)F)CCO2 1840766083 REJRQEXWKLIYSA-OAQYLSRUSA-N 499.417 2.035 10 20 JECD COc1cc(CCC(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)ccn1 1841938436 UDBBWINDQYFXHX-VMPITWQZSA-N 453.495 2.056 10 20 JECD O=C(c1cn2c(Br)cccc2n1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250096 KMROVKLIPPVRMG-UHFFFAOYSA-N 472.299 2.034 10 20 JECD COc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1OC 1845424523 JZQMCWLDIDANIA-WEVVVXLNSA-N 472.469 2.490 10 20 JECD CCOC(=O)C1CCN(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 726600186 DEJVLDHCOAYNQP-UHFFFAOYSA-N 461.531 2.366 10 20 JECD O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CC[C@@H](N2CCCC2)C1 727175321 PETSCERUIXHFTO-QGZVFWFLSA-N 460.512 2.412 10 20 JECD CC[C@]1(C)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1=O 778964503 WVAKCZWKXWOKFD-CANCMXDXSA-N 477.473 2.053 10 20 JECD C[C@@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 800056651 YJJHLLJQHWMXQA-CQSZACIVSA-N 489.484 2.197 10 20 JECD COc1ccccc1Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(N3CCOCC3)cc2)c1=O 914579833 HZQVNAJEMQPXLG-UHFFFAOYSA-N 476.598 2.392 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)cc2)C1 917832909 IACKWRYMOLDWAF-NFBKMPQASA-N 484.622 2.248 10 20 JECD CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 918439555 NDWZSRJIDULPJJ-UHFFFAOYSA-N 462.909 2.055 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc(CN2CCOC2=O)cc1 919665250 UWWWUJYSIJBVMB-UHFFFAOYSA-N 454.552 2.447 10 20 JECD CCNC(=O)CN1CCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 920455996 LUDKVKRMTCGJRG-SAPNQHFASA-N 480.681 2.400 10 20 JECD CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 920637044 XPFBAPYLDZPOJL-UHFFFAOYSA-N 463.512 2.041 10 20 JECD C[C@H](OC(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1317775697 RGOWUEIOAUWYGG-HNNXBMFYSA-N 488.500 2.117 10 20 JECD C[C@@H]1CCCN(C(=O)Cn2c(=CC(=O)C3CC3)sc(=Cc3ccc(N4CCCC4)cc3)c2=O)C1 1317946857 XOPVELKXTRCHFW-LJQANCHMSA-N 479.646 2.357 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1780224787 ZKKMNGXFZQSECE-OAQYLSRUSA-N 492.319 2.433 10 20 JECD COC(=O)CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008923 KUVPHBQHXNRTAK-QFIPXVFZSA-N 468.934 2.318 10 20 JECD Cc1nccn1CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009262 VFNXQFOFKRZREP-QFIPXVFZSA-N 462.934 2.180 10 20 JECD Cc1cc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)cc1F 1782963576 QXXVXVYHXGRENO-VGOFRKELSA-N 497.589 2.261 10 20 JECD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1)c1ccccc1 1785536133 ZLIDOALZUICFCK-NIYFSFCBSA-N 460.534 2.413 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2c(c1)CCC2 1794104453 BAAKZAZMRJSMNP-REPLKXPHSA-N 457.621 2.216 10 20 JECD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799770327 NBYOGNHSKVVBCX-KPEUIFRASA-N 497.976 2.258 10 20 JECD Cc1cc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)ccc2[nH]1 1800114347 WUWZUHBPYFHWCP-NXKWYNOOSA-N 485.544 2.472 10 20 JECD CCOc1ccsc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804334533 NUQPPOJEYXJVIF-CLLJXQQHSA-N 453.611 2.259 10 20 JECD Cc1nc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cs1 1804516614 HAGZPEHQVHRXCT-VFNWGFHPSA-N 453.524 2.215 10 20 JECD Cc1[nH]nc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)c1F 1805125331 OURJAYYPKDOUQL-LXBVETIDSA-N 481.484 2.402 10 20 JECD N[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccccn1 1807172537 KFDAWFQLFYYLGS-IAARQISNSA-N 489.532 2.013 10 20 JECD Cc1ccccc1NCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1807298251 DJMUJKGFDSEVCH-WZONZLPQSA-N 497.646 2.368 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3nccn3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995875 KVAGIWBPLOYKJP-KSFYIVLOSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(CO)c(F)c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999725 FGPPXMGSHLMXOO-KSFYIVLOSA-N 466.469 2.153 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1808001801 XKOVRPFTFGRFFS-JXFKEZNVSA-N 485.541 2.121 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)Cc3noc4ccccc34)C2)CC1 1810019897 SAPPZUPZFBKZRH-UHFFFAOYSA-N 486.619 2.462 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1ccc(O)nc1 1811462743 HMORALIAJGCFHT-KOSHJBKYSA-N 484.516 2.295 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccccc1-n1nccn1 1811470245 NLKYMQWLJQGGKP-SBUREZEXSA-N 485.504 2.102 10 20 JECD O=C(/C=C/c1cnc[nH]1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813302305 YUEKEDLSSBRBBH-DWFZGVCTSA-N 475.505 2.354 10 20 JECD Nc1ncc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)s1 1815189672 FFIJQVGSDXLDMO-LLVKDONJSA-N 481.563 2.201 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cnnc(Cl)c1 1816025419 ZAJLWZVBHBIDHI-LBPRGKRZSA-N 479.975 2.019 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3ncn(-c4ccccc4)n3)sc2C1)c1cc(O)nc(O)c1 1817490998 PKNLRWPKNZSQCZ-ZDUSSCGKSA-N 477.506 2.070 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817843751 XYVBCODVUVAQCP-SWLSCSKDSA-N 474.518 2.435 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2Cc3ccccc3CN2)[nH]n1)c1cc(O)nc(O)c1 1817845467 NBHBUQVPCUYDRX-RBUKOAKNSA-N 462.510 2.236 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccn(C(F)F)c2=O)[nH]n1)c1cc(O)nc(O)c1 1817846177 JVEKKKSHWIPGLT-CQSZACIVSA-N 474.424 2.392 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)CCc2cc(F)ccn2)[nH]n1 1823496650 MXEMYKFTGHTXNX-MRXNPFEDSA-N 490.586 2.429 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cncc(F)c2)[nH]n1 1823496949 RDQQSPRPBSWEEK-AWEZNQCLSA-N 462.532 2.110 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3cnccc23)[nH]n1 1823500150 SKNJBTBAUFADBP-INIZCTEOSA-N 483.579 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cncc(F)c2)CC1 1826061799 YIGZZPJFDYDTQG-KRWDZBQOSA-N 464.588 2.314 10 20 JECD CS(=O)(=O)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1826628589 BCRYCNBBBVXGGJ-INIZCTEOSA-N 458.964 2.029 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1826905306 ZICUZJWXPQFPIC-VQIMIIECSA-N 489.667 2.362 10 20 JECD C[C@](O)(CC(=O)O)CC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878727 ZYLHEUNLAWNAKP-MVYDMROTSA-N 490.553 2.052 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc4cc[nH]c4cc3Cl)C2)C1 1836418253 JRMQTQALEVKYIG-HSZRJFAPSA-N 486.912 2.011 10 20 JECD CC[C@@H](C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836886862 MIVKBLRSTDMLTJ-KOSHJBKYSA-N 484.597 2.185 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(OC3CCN(C(=O)CNC(=N)N)CC3)CC2)cc1 1837844903 QOBHVVLEVDISKW-UHFFFAOYSA-N 480.613 2.189 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 1840881161 GJKUFOGFBOKIMY-SYQAFCNFSA-N 494.544 2.077 10 20 JECD O=C([C@@H]1CC(c2ccccc2)=NO1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441136 OYJMCEHUGPHPQH-QFIPXVFZSA-N 471.517 2.176 10 20 JECD C[Si](C)(C)c1cc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)co1 1844249978 OBKKFXVYGWOTDM-UHFFFAOYSA-N 464.598 2.435 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)c1ccco1 1847279620 IJNBOFGUFPEIIK-AQCRLBJHSA-N 498.580 2.233 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2ccccc2[C@@H]1O 1847602226 HCSWVEUQVIBSCQ-DMPQVTIJSA-N 464.518 2.314 10 20 JECD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1847786035 SLNRDKFCIVPCIE-COPCDDAFSA-N 472.611 2.237 10 20 JECD O=C(CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 725802730 CJSYMIZVYXIRPP-UHFFFAOYSA-N 479.556 2.218 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 730537189 ZIZRDMOMNCCZIR-QFIPXVFZSA-N 457.596 2.381 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCN1CCN(c2ccncc2)CC1 748342587 AZVFBHQYHLGNPW-UHFFFAOYSA-N 452.603 2.272 10 20 JECD Cc1ccoc1C(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 825296932 BWNNPGMSFHFLLR-SXGWCWSVSA-N 474.516 2.491 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 916667489 DFCSGYWLOWXEFG-UHFFFAOYSA-N 492.573 2.129 10 20 JECD Cc1cc(CN2CCN(CC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)CC2)no1 916986220 OZAMNEFRFVABID-RTBURBONSA-N 459.566 2.170 10 20 JECD O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918296714 ZLHDDFGRSOXVEH-FQEVSTJZSA-N 487.578 2.323 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1cccc(NC(=O)C2CC2)c1 918441361 ZEUBXVHESIMRQJ-UHFFFAOYSA-N 454.502 2.390 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 920638048 QWUQSXSFIJCSFB-UHFFFAOYSA-N 477.373 2.486 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc(N2CCOCC2)cc1 920927328 UBUIHMWTBIYIHV-OAHLLOKOSA-N 495.001 2.243 10 20 JECD CCN1C(=O)C(=CNc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)C(=O)N(CC)C1=S 920977790 MZJVBYYLJNZCMC-UHFFFAOYSA-N 480.612 2.161 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(Br)cn1 1779624583 VYFBHXRBPDURSN-IIBYNOLFSA-N 491.342 2.092 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cc(F)cc(F)c3)C2)C1 1780821697 LPKXPPRFYCHNRA-KFVKGYIZSA-N 460.433 2.239 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1ccccc1C(F)(F)F)CCO2 1785544913 CYJQEOUUIQAROO-IBGZPJMESA-N 487.525 2.009 10 20 JECD CN1CCN(CC(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc(O)c(O)c4O)cc3)CCC2)CC1 1792301081 CIUBQNLADUBOKM-ONNFQVAWSA-N 480.565 2.198 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cnnc(Cl)c1 1796932454 AGVCFBNAJMFXJD-ACHSLPGTSA-N 452.902 2.175 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccccn2n1)C1=NN(c2ccccc2)C(=O)C1 1797347782 FQIZYDOOMKCLBO-PDFPEKILSA-N 456.506 2.379 10 20 JECD CCOc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1OC 1804335884 CSZWXUYZLABYNV-BJWYYQGGSA-N 491.635 2.135 10 20 JECD Cc1ccc(C(=O)NCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1804362663 QHQXHQKISVFDQI-LDEDEHCMSA-N 479.533 2.193 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccc(=O)oc1 1806121100 IHVHZFRQJFTTNL-VTDTYKJDSA-N 477.473 2.185 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(-c2cccnc2)[nH]n1 1810899742 XBWVPQAWTBXWJJ-HXOBKFHXSA-N 485.504 2.306 10 20 JECD CCc1ncsc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1811645138 XXBPKUFJLMEQNI-KBXCAEBGSA-N 489.648 2.280 10 20 JECD Cc1noc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)n1 1811803330 HZEWWDSRDUOGQO-VBKZILBWSA-N 471.901 2.400 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)n1ccnn1 1811809470 KSKRSQNDYTVCKU-MUKKUYKPSA-N 470.917 2.319 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCn2ccnn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810051 QWDGYSXRSZKJQX-QRWLVFNGSA-N 470.917 2.148 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1812950947 ZOLQALGPZRHVBZ-IIMJZQEZSA-N 485.541 2.121 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CC2)c1cc(O)nc(O)c1 1816727378 RJASCZKJFKGNLD-SNVBAGLBSA-N 499.461 2.126 10 20 JECD Cc1cnn(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)c1 1817646721 NUPRUNSLMHHBRA-FQEVSTJZSA-N 474.525 2.400 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccc2c[nH]nc12 1817887258 NNTHXBOBVZAGCC-HNNXBMFYSA-N 483.579 2.452 10 20 JECD Cn1ncc(Br)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1818421320 LKYPYRHTUIPJMX-CYBMUJFWSA-N 490.318 2.332 10 20 JECD COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)n1 1825673914 VLSKSOVQFAOEDN-KRWDZBQOSA-N 476.624 2.184 10 20 JECD N[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)c1ccccn1 1826906054 CZCKXMKQAYFLNY-UKILVPOCSA-N 488.592 2.494 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828250661 ZTKKBTYBAMSUCF-STQMWFEESA-N 490.632 2.383 10 20 JECD O=C(CC1CC1)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1828899328 HZXOHONCFMEUPX-SANMLTNESA-N 494.548 2.359 10 20 JECD COC[C@@H](NC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1829119480 XJOSRNIHLJGLCP-MOPGFXCFSA-N 481.977 2.136 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccsc1)CCO2 1833145620 CYHSDTLFNLVQBO-NLNDOHDBSA-N 486.546 2.048 10 20 JECD Cc1ccccc1NCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1834773330 QFSAHTGXLFMXRJ-UHFFFAOYSA-N 467.570 2.099 10 20 JECD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cnc1C 1839431748 KZKNASILIPKQNX-QHCPKHFHSA-N 475.929 2.147 10 20 JECD O=C(c1ccc2c[nH]nc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434118 ONTRZCQBRMHWLC-HSZRJFAPSA-N 486.912 2.011 10 20 JECD CN1CCN(c2ccc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CC1 1847243509 SRATZHKSLVGXNR-GUSGKLGJSA-N 492.576 2.084 10 20 JECD COc1ccc(N2CCCN(C(=O)CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1 108430496 ULDYZBYIYBBZKN-UHFFFAOYSA-N 486.638 2.049 10 20 JECD Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C)n1-c1ccc(Br)cc1 728698282 MZPWQOUYHDVJHK-VQTJNVASSA-N 496.427 2.084 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 730911739 OBGGEELFJJVJME-HXUWFJFHSA-N 457.502 2.475 10 20 JECD COCCN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1 731197630 XVFNYTFHLHPKIH-AOHITCTBSA-N 488.678 2.392 10 20 JECD CN1CCN(c2cc(CNC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccn2)CC1 918205958 YOSJAUWLYQKDRS-UHFFFAOYSA-N 452.603 2.042 10 20 JECD CCOc1ccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] 918993929 GSAABDTUQGBDSZ-UHFFFAOYSA-N 461.446 2.442 10 20 JECD O=C1O[C@H](C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)Cc2ccccc21 919698229 XTDFYFJMBYMETO-QFIPXVFZSA-N 461.497 2.340 10 20 JECD CC(=O)NC1(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCCCC1 920534250 JPDXJHFFPSDPNL-IRXDYDNUSA-N 463.550 2.438 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(F)(F)Cl)C2)C1=NN(c2ccccc2)C(=O)C1 1778127362 KBEHMZBHMSJNDX-OXQOHEQNSA-N 468.888 2.125 10 20 JECD CC1=CC[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)CC1 1778751087 JOWCBVGHSWKCBD-GSHUGGBRSA-N 465.641 2.107 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1781379171 RVEDUJOCCIEODX-VJAVOHLOSA-N 468.506 2.114 10 20 JECD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)N1CSCSC1 1782007006 GADCDHLWYFLGML-RBZFPXEDSA-N 488.031 2.238 10 20 JECD Nc1nc2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)ccc2s1 1785509552 VTWMFWORCRLPAQ-ZNSATWQLSA-N 496.545 2.152 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)c(C(F)(F)F)o1 1787292133 YUBFFHJYJWXJPA-CQDKDKBSSA-N 469.416 2.320 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc(=O)c2ccccc2o1 1792765406 IMBQOTKHYKNFRB-GFENJXEQSA-N 484.892 2.375 10 20 JECD CN(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)nc1 1794789027 OCINZKHWPMTKSW-GGPHIMKMSA-N 460.538 2.192 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccco2)no1 1796592974 NZNIRTMRPDLSKL-CLLJXQQHSA-N 460.537 2.047 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc(C(F)(F)F)[nH]1 1797987109 GJBDOCZXLGRTHJ-VTEUUUEMSA-N 489.454 2.030 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cnc(Cl)c(Cl)c1 1798078624 CAZOTZFQUNZCOO-UNALJEAJSA-N 494.331 2.422 10 20 JECD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800718082 BODUGGDURVWJTO-IVSAIRAKSA-N 497.976 2.279 10 20 JECD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)ccc1C 1802080613 ZPBVVRBYVNHIJM-HCSKGQDESA-N 468.506 2.037 10 20 JECD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)ccc(F)c1F 1803660655 ZMDBBFKBVFAOKZ-CLLJXQQHSA-N 453.536 2.385 10 20 JECD Cc1nc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cs1 1805969005 IESCMWSCARNPRS-KDOFPFPSSA-N 475.621 2.026 10 20 JECD Cn1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)n1 1807516285 CGVZBNXOGFFLCN-YCRPNKLZSA-N 469.929 2.442 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cnc3ccccn23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993217 GOCHBDULFRNZCY-XDHUDOTRSA-N 472.505 2.098 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccc(O)nc1 1811465901 RKUSHDJPFTUMIJ-XWESUKGBSA-N 476.489 2.332 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cnc3ccoc3c2)[C@H]1c1cccnc1 1814188988 IOSSFUKVGBBFSQ-BTYIYWSLSA-N 495.586 2.403 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)CCc2ccoc2)[C@H]1c1cccnc1 1814191048 GJUFFQKPAORPNZ-UTKZUKDTSA-N 472.592 2.174 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1817307962 IORNZNBTTNSSHQ-BXKDBHETSA-N 466.947 2.300 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3nnsc3C3CC3)sc2C1)c1cc(O)nc(O)c1 1817706483 KCGUYYAAINZTLF-SNVBAGLBSA-N 458.525 2.218 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1819646302 ZEWDDDJOKCBHPS-TZMCWYRMSA-N 489.648 2.416 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cncnc2)[nH]n1 1823477121 ZNJUVAIPLKSSKT-QQOXCAACSA-N 464.482 2.265 10 20 JECD Cn1ccnc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1826090252 HXVJCTJQFCLASC-IWHGQQBYSA-N 454.527 2.484 10 20 JECD O=C(CN1CCCC1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715236 RKMVGXRLBKDYKL-HSZRJFAPSA-N 465.598 2.495 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cccnc3[nH]1)CC2 1828244334 BMDBFCMIESTBCL-LLVKDONJSA-N 486.604 2.106 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCCCO2)C1 1841103562 NBLYOWYUGWCXMS-NHCUHLMSSA-N 486.613 2.477 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)[C@H]2CCc3ccccc3[C@H]2O)C1 1841386667 NGFONBYXXOBBQP-XUZZJYLKSA-N 472.545 2.279 10 20 JECD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N4CCSCC4)cc3)cc2)CC1 744906373 HXWREBGTQPCYKX-UHFFFAOYSA-N 495.649 2.272 10 20 JECD CSc1cccc(-n2c(C)cc(C(=O)CN3CCN(S(=O)(=O)N(C)C)CC3)c2C)c1 914789044 AMFDXSALJSZVLE-UHFFFAOYSA-N 450.630 2.423 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)cc2F)C[C@@H](C)O1 917710035 LYLCVZHNXCUHCO-VDYXTEHCSA-N 496.539 2.285 10 20 JECD COc1ccc(NC(=O)CSCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 917832950 IUHIKRIEINNFQS-SFHVURJKSA-N 470.595 2.385 10 20 JECD CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 918296746 KRJSWJPYBYCGML-LJQANCHMSA-N 475.567 2.225 10 20 JECD CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 918465383 LHNXWOOLYYSEDN-SFHVURJKSA-N 465.554 2.300 10 20 JECD O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971127 PRGRUWNZBRYCSV-UHFFFAOYSA-N 490.329 2.462 10 20 JECD CC(C)OCc1ccc(CNC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 920637404 CPMZLDYDMRGLLU-UHFFFAOYSA-N 450.513 2.162 10 20 JECD CCOc1ccc(S(=O)(=O)N(CC)CC)cc1N/C=C1/C(=O)NC(=S)N(CC(C)C)C1=O 920979662 GFQZPBVNJHIWSD-VBKFSLOCSA-N 482.628 2.311 10 20 JECD Cn1ncc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)ccc21 1778020200 FQKRVBLIXYLVEJ-QHCPKHFHSA-N 470.913 2.395 10 20 JECD COC(=O)C12CC(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)c4cc(O)c(O)c(Cl)c4)C3)(C1)C2 1781123047 PIBHXMVTGPNBQE-ZTJOMYHJSA-N 492.956 2.222 10 20 JECD C[C@H](NNc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1783560457 SWPDUVUZILSARM-YYJDGNJWSA-N 488.972 2.350 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCn4cncn4)C3)C2)cc1 1784343072 VUYFPTNBPQAMSR-RUZDIDTESA-N 462.554 2.219 10 20 JECD O=C(CC1Cc2ccccc2C1)N1CC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1785651531 PIGKWIXTOBRWLT-MUUNZHRXSA-N 486.572 2.414 10 20 JECD O=C(Cn1ccncc1=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788674134 SDKSTDXGDZPGSP-UHFFFAOYSA-N 484.516 2.170 10 20 JECD CC(C)(C)OC(=O)N1CC=C(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)CC1 1796603468 OGDUBPRCRFOMNI-BCDXTJNWSA-N 472.542 2.312 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]1c1ccccc1)C2 1802082468 MVZBCAHSZSWTDN-FJGAIVNOSA-N 464.518 2.210 10 20 JECD CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cn1 1805338399 KUDLZUQKVNPJNA-IERDGZPVSA-N 483.619 2.219 10 20 JECD Cc1oncc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1805800660 NXMAVYOSGKCWEU-JPYJTQIMSA-N 472.505 2.491 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)N(C)C(=O)OC(C)(C)C 1807667385 BNTZLKNIFLVBGL-CEQIKUNHSA-N 499.568 2.463 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3c[nH]nc3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993872 MNSJVQPHBFMGDJ-VGSWGCGISA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CC2(O)CCC2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469343 LTVMKBLLNAAAEH-YADARESESA-N 475.549 2.185 10 20 JECD C[C@H](Cc1ccccn1)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1813288214 JHPCKZZLODETMZ-RADWXHQJSA-N 497.646 2.222 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccncc2O)[C@@H]1c1cccnc1 1814164135 RVCINZANYKXDAG-OUWGLZAPSA-N 476.489 2.332 10 20 JECD CC(C)(C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccn1 1814192171 SHIPEVPWKBOBFL-DYESRHJHSA-N 497.646 2.321 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc3ncccc3[nH]1)CC2)c1cc(O)nc(O)c1 1816728304 GURHBTBMJSWROL-LLVKDONJSA-N 450.480 2.365 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147764 IEWMLBHJBQBPAQ-LQLPYNBSSA-N 462.510 2.087 10 20 JECD COCCn1nccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1818251889 IDEDJFNEQXPIBY-DBWMJRBXSA-N 496.524 2.389 10 20 JECD CN1CCC[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)C1 1822549274 VXXUMKWHKNGGAW-HOTGVXAUSA-N 480.594 2.190 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823500023 KKEJOHLQRJKXIP-HIFRSBDPSA-N 487.611 2.158 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)sc2C1)c1cc(O)nc(O)c1 1825595553 DIHKSXOOICRRKV-YZYGWBJASA-N 491.529 2.085 10 20 JECD COC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1826376415 GSJWPAXXGDVAKU-NRFANRHFSA-N 468.554 2.352 10 20 JECD O=C(CCc1cnccn1)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1826905608 MEEXFJBLPFHESI-HNNXBMFYSA-N 489.561 2.271 10 20 JECD Cc1c(F)ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1N 1828242408 HVBSRELLOPPMDJ-JTQLQIEISA-N 493.611 2.259 10 20 JECD O=C(CN1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830737677 SYMYNINLEIAZBX-IBGZPJMESA-N 465.978 2.317 10 20 JECD CC(F)(F)C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1834643324 OFBPTLGALIQFFB-HWKANZROSA-N 453.486 2.043 10 20 JECD CCc1cnc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)s1 1835838855 HQHRWIQZZZVPFC-UHFFFAOYSA-N 459.572 2.011 10 20 JECD Cc1cc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)ccc1Br 1844988743 SYENPTQMAUFQRU-UHFFFAOYSA-N 482.425 2.435 10 20 JECD Cc1cc(-n2c(C)cc(C(=O)COC(=O)Cn3ccc(=O)[nH]c3=O)c2C)ccc1Br 18580444 ZAZHKDYSXNZXIH-UHFFFAOYSA-N 474.311 2.441 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=S)NCc3ccc(S(N)(=O)=O)cc3)cc2F)C[C@@H](C)O1 726468618 GCTKMHRRHWEZSN-HUUCEWRRSA-N 466.604 2.251 10 20 JECD O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCN(c2ccccn2)CC1 913630154 BFAXYURTWQKNID-UHFFFAOYSA-N 483.506 2.459 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccccc3S(=O)(=O)C(C)C)CC2)cc1 915256196 WFXTXBJDNXPTEM-UHFFFAOYSA-N 460.552 2.383 10 20 JECD O=C(CN1CCOCC1)Nc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 916673346 CKAYKCOSPIRRRY-UHFFFAOYSA-N 481.597 2.488 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(C(N)=O)c(Cl)c3)cc2F)C[C@H](C)O1 918287348 QABSXZQOPAKSHZ-STQMWFEESA-N 462.909 2.447 10 20 JECD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918338122 UEXGFOUJXLWRKH-DEOSSOPVSA-N 496.633 2.402 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3c[nH]nc3-c3ccc4c(c3)OCCO4)cc2)C1 918373118 SIBLDRJLOBVWBY-SFHVURJKSA-N 461.522 2.480 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cccc(CN2CCOC2=O)c1 918438777 HZMBTRBXNSYDKC-UHFFFAOYSA-N 454.552 2.447 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3N3CCOCC3)cc2)C1 918463645 MLBMVKCGOFUCOX-GOSISDBHSA-N 499.999 2.133 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C[C@@H]3Oc4ccccc4NC3=O)cc2F)C[C@@H](C)O1 919001589 TXTOJJJVYDIPBP-DMPWYTOCSA-N 485.512 2.389 10 20 JECD O=C(COC(=O)CCCS(=O)(=O)N1CCCC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 919553615 KDGRQEAVYZDJMD-UHFFFAOYSA-N 484.530 2.150 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCN(Cc2cscn2)CC1 919909934 AYISURVUAVVIKC-UHFFFAOYSA-N 496.616 2.426 10 20 JECD COCCN1C(=O)/C(=C\N[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)C(=O)NC1=S 920979340 IGBXELIRRNNVDZ-LDVBQKTRSA-N 469.563 2.351 10 20 JECD CC(C)CC(=O)N1CCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 1337754261 MAFUIXRFHKOWTI-UHFFFAOYSA-N 483.592 2.342 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc4nc(C(F)(F)F)[nH]c34)C2)C1 1777959130 OZYOCPHRFFYEJJ-OAQYLSRUSA-N 491.426 2.145 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4cccc(Cl)c34)C2)C1 1778756961 WTRCEUXDVAVPDA-QFIPXVFZSA-N 456.886 2.385 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753942 UDHCWAWFVSNLIR-RXFWQSSRSA-N 466.582 2.404 10 20 JECD Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc(Cl)cc1[N+](=O)[O-] 1781999714 QRKLRVVCDYZCQA-NRFANRHFSA-N 476.873 2.120 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cc(-c3ccccc3)[nH]n1)CCO2 1785508141 ZBQUNDCZTSSGOY-QGVYAHRCSA-N 490.516 2.350 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787539789 UXXGWTKGBCJTKB-WMCFXIKDSA-N 452.555 2.195 10 20 JECD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)[C@@H]1SC(=N)NC1=O 1788634174 OHVQULGRAVPHLZ-DIFFPNOSSA-N 469.523 2.043 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C 1795157522 SXSOXCZJAIZWPF-KOUHRCEDSA-N 488.629 2.340 10 20 JECD COc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)n1 1804283650 JQTNCJSMBCNBAH-RWIVXZMWSA-N 467.522 2.491 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)[C@@H]1[C@@H]2Sc3ccccc3[C@H]21 1804333220 IDGMQRKPQUKLGG-KEPFCHILSA-N 473.645 2.373 10 20 JECD O=C(CCc1cnc[nH]1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1804428811 ATZBMEHBMQBBIZ-DHBNKGDUSA-N 477.521 2.274 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3[nH]ccc3n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996217 OFPYMAKLKQGAPL-IVZQSRNASA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc3c2OCCO3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996526 UNSNGJLQRQYACU-OPAMFIHVSA-N 476.489 2.292 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808002606 WVYOVVWIHVRZMJ-CMJOXMDJSA-N 495.467 2.497 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCc2ncc[nH]2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470249 UTJODCJVXQTAMU-KBMIEXCESA-N 485.548 2.236 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1c[nH]c2ncccc12 1809126088 RZJCSTBHLNSKEU-YWZLYKJASA-N 494.602 2.138 10 20 JECD CCn1nc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1C 1811026187 ZTHNWICCYVOMQA-IERDGZPVSA-N 450.499 2.046 10 20 JECD Cc1nc(F)ccc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1811132641 TYHVZKQHNVJZQU-YCRPNKLZSA-N 451.458 2.364 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810630 WAKMOLYFNNXNGE-KYNGSXCRSA-N 493.969 2.043 10 20 JECD O=C1CCc2ccc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)cc2N1 1812265923 FBXMGBPSEVLQGG-UUOWRZLLSA-N 487.516 2.406 10 20 JECD O=C(CSc1nc[nH]n1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1813349308 QFUIGGDYSSUPAD-SCLBCKFNSA-N 488.957 2.376 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)C(=O)c2ccco2)[C@H]1c1cccnc1 1814161157 CJAFSOCZYPJMGJ-QXMHPGBQSA-N 477.473 2.394 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1cccnc1 1814164250 WKDXFYCTNMFNIC-DGUTUTPCSA-N 493.476 2.468 10 20 JECD Cn1nc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)c2c1CCC2 1817845331 KHHIOZXVEBCWNW-INIZCTEOSA-N 451.487 2.058 10 20 JECD COC(=O)CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822490675 WZAXBAICRMKDTB-OAHLLOKOSA-N 495.627 2.386 10 20 JECD COCc1c[nH]c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c1 1823500168 UEKXZTIKTGMDOS-HNNXBMFYSA-N 476.584 2.050 10 20 JECD Cc1cccnc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1824703339 RAINMSYJKZHZIZ-KRWDZBQOSA-N 460.625 2.484 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)CC(F)(F)F)CC1 1826680878 ZNDCEPFYGDCXAT-CYBMUJFWSA-N 451.536 2.419 10 20 JECD O=C(CCc1ccoc1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1827114061 JWHIRQHRUNJOJC-GFCCVEGCSA-N 464.594 2.141 10 20 JECD O=C(CC[C@H]1CCOC1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900311 PUXOLJSQPAGGCT-WMZOPIPTSA-N 467.657 2.283 10 20 JECD CCc1ccnc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)c1 1838016050 GOBPKTCYXKJCNT-UHFFFAOYSA-N 490.651 2.117 10 20 JECD O=C(Cc1cc(Br)ccc1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843248957 WQKFQSOEJUALEI-UHFFFAOYSA-N 491.298 2.223 10 20 JECD O=C1CCc2ccc(C(=O)N3CC4(CCCN4C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)cc2N1 1843442484 NFQLFOAUJPYLDN-UHFFFAOYSA-N 471.517 2.181 10 20 JECD COc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1OCC(N)=O 10898533 VZEBVXGSTWEXPE-UHFFFAOYSA-N 488.452 2.130 10 20 JECD CN(C)c1ccc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)cc1 18215395 QNHXEBMCRZLWHU-LJQANCHMSA-N 451.976 2.256 10 20 JECD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(C(=O)N4CCOCC4)cc3)n2)c[nH]1 727248000 YZKGRUHCEQGYIO-UHFFFAOYSA-N 476.536 2.198 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(F)c(-n4nnnc4C)c3)CC2)cc1 727939191 WFOUEBIWVPOSPW-UHFFFAOYSA-N 468.537 2.452 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C(=O)NC(C)(C)C)cc3)CC2)cc1 743432813 SRRIARKOOXPRRO-UHFFFAOYSA-N 481.597 2.100 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)C[C@@](O)(c3nc(C)cs3)C(F)(F)F)CC2)cc1 747347437 UXIVAQLSSCMYLI-HXUWFJFHSA-N 487.500 2.492 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)OCC(=O)N1CCOCC1 913363942 TWDQCPLGIJNVRY-NTEUORMPSA-N 485.381 2.052 10 20 JECD C[C@@H](OC(=O)Cc1ccc(S(N)(=O)=O)s1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 914962930 XFYTVURWBPDCOY-GFCCVEGCSA-N 498.538 2.284 10 20 JECD CC(C)[C@@H](CNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCOCC1 917008397 QWTXPUPYRBBLMH-HXUWFJFHSA-N 492.554 2.188 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc2F)C[C@@H](C)O1 917012129 DOLVQOHEIQIQTQ-QZTJIDSGSA-N 486.548 2.181 10 20 JECD Cc1sc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)nc1-c1cccc([N+](=O)[O-])c1 917924826 ANKWQEJZEPAYTN-UHFFFAOYSA-N 454.511 2.475 10 20 JECD Cc1ccc(C(=O)NCCNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1F 918006198 SKSJHUZXPNKSRK-LJQANCHMSA-N 455.534 2.065 10 20 JECD COc1ccc([C@H](CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)N2CCOCC2)cc1 918118512 TWFQYOHHCHPYAO-DHLKQENFSA-N 495.624 2.270 10 20 JECD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918285107 YJNUXNWOZHLPCP-UHFFFAOYSA-N 468.529 2.462 10 20 JECD CC[C@@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)n1nnc(-c2ccc(Cl)cc2)n1 918340750 SQAUPKWQNILYPU-FQEVSTJZSA-N 489.001 2.496 10 20 JECD CCn1c(S)nc2cc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)ccc2c1=O 918372053 JQAIUMKVHYPFID-QGZVFWFLSA-N 465.579 2.337 10 20 JECD COc1ccc(OC)c([C@@H]2CCCN2C(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 920635062 CEXUONFUUNXXFT-SFHVURJKSA-N 478.523 2.301 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)sc3Cl)C2)C1 1779800189 ITPFNLLWXUIVPF-QGZVFWFLSA-N 494.447 2.359 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccncc1O)C2)c1cc(O)c(O)c(Cl)c1 1781122072 KDFFRSCLZUOSOT-XMSQKQJNSA-N 461.902 2.293 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)cc1 1781751016 OJDSRMBOPOPMGB-RUZDIDTESA-N 461.522 2.347 10 20 JECD CCOc1cccc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1O 1781983899 SQQYMBFZFKTMOO-PMDNVAFQSA-N 484.505 2.065 10 20 JECD Cc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)o1 1782648155 PUZXSYDIRDIPOE-ATIYNZHBSA-N 478.549 2.437 10 20 JECD COc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785510547 OUXWQBXCZOSMAM-MLENBVEFSA-N 472.469 2.108 10 20 JECD CN(C)c1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)c1 1785555043 PWJQHTZCWKLRSX-ROOHIHILSA-N 474.945 2.119 10 20 JECD CS(=O)(=O)CCC(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788673962 JWCKWBZDJAKZEB-UHFFFAOYSA-N 482.562 2.348 10 20 JECD CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1)N(CC)CC 1790242966 IGYGUYAFUIILTO-QQDKQVRDSA-N 467.994 2.465 10 20 JECD COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)C1 1791246239 AMMHVJOQVWUWMR-FWBKQUHXSA-N 494.972 2.324 10 20 JECD COC1(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)CCC1 1791852977 NTJVKOFPNGYWPG-YEWWUXTCSA-N 452.935 2.304 10 20 JECD CC(C)[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1793229019 HHXPCXVEOAOTSF-PVIWCNJMSA-N 488.629 2.360 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc2cc(F)ccc2[nH]1 1797343765 IKGNLKIWHUIUNF-VKJSYOCJSA-N 481.480 2.340 10 20 JECD Cn1ncc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)c(O)c(Cl)c3)cccc21 1799768478 QUTNEUSVCABQEC-VTEUUUEMSA-N 470.913 2.155 10 20 JECD Cc1c(Br)ccc(F)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1799813922 ADQAFDDYCGMVMA-DBWKPXFBSA-N 494.317 2.220 10 20 JECD COC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1803673979 HMAOKDIIDGKAEQ-GEQKSPFYSA-N 463.538 2.163 10 20 JECD CC[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)NC(=O)OC(C)(C)C 1804335681 CAXYIRUMOLWMAS-LVQVYYBASA-N 498.671 2.178 10 20 JECD COc1cncc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1804485597 UIOROROYJOCPRB-UUOWRZLLSA-N 477.521 2.244 10 20 JECD Cc1ncsc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1805760559 VINURVVEMNOUDN-WMLDXEAASA-N 475.621 2.026 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1cc(O)n[nH]1 1807288529 TUXXUFRCAOUFLF-KZULUSFZSA-N 457.874 2.208 10 20 JECD O=C(CC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)Nc1ccc(F)cc1 1807999851 NJJOAECMTMQVGN-GYCJOSAFSA-N 493.495 2.375 10 20 JECD Cc1noc(N)c1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808467642 JDVHJPCDSFTIRV-HTAPYJJXSA-N 487.520 2.073 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)n1ccnn1 1812398443 PSRUJAHXMMJYHB-ZXYWRSMDSA-N 470.917 2.319 10 20 JECD Cc1ccc(OCC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1814186854 YVMTVRGVHJQESF-JPYJTQIMSA-N 498.630 2.335 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2c[nH]c3ncccc23)[C@H]1c1cccnc1 1814188887 DAJLSEXUEDTNTP-YWZLYKJASA-N 494.602 2.138 10 20 JECD CN1CCCC[C@@H]1C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361735 DAGMWCPLJAJICP-HNAYVOBHSA-N 480.594 2.332 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cncn2-c2ccncc2)[nH]n1)c1cc(O)nc(O)c1 1817844173 SDCZHTKZPYLSHM-KRWDZBQOSA-N 474.481 2.416 10 20 JECD Cc1ncccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823496403 MJAUDVNAEHCWLB-OAHLLOKOSA-N 458.569 2.279 10 20 JECD CCOC(=O)O[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1824613344 VWTLDDVAZACJFD-KJSMGNOQSA-N 491.522 2.447 10 20 JECD Cc1nc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)no1 1825178341 DTSAWUORBREXTI-OAQYLSRUSA-N 478.553 2.333 10 20 JECD Cc1nc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)co1 1825958840 IFPUCFLRFYRNKL-INIZCTEOSA-N 450.586 2.077 10 20 JECD O=C(CCn1cncn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1826611091 NSMYYFKOMRBFSO-LLVKDONJSA-N 462.919 2.115 10 20 JECD C[C@H](Nc1nccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1827661037 XPVKSJUBFPYVBQ-HOCLYGCPSA-N 495.696 2.424 10 20 JECD CCNC(=O)N[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716938 ZYXSCLQTWKNHCW-AVRDEDQJSA-N 496.612 2.107 10 20 JECD CC(C)O[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901159 PXYGBAMOTZPSCD-DOTOQJQBSA-N 455.646 2.280 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)[C@@H](O)c1ccco1 1833088602 WBPOAFLTJNBTQC-NRFANRHFSA-N 477.945 2.263 10 20 JECD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1835069060 NBWGMVMDZROCQL-XMMPIXPASA-N 490.940 2.073 10 20 JECD O=C(c1cccc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433843 WTQMOMUBRBNWCR-JOCHJYFZSA-N 464.877 2.274 10 20 JECD COc1ccc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cc1F 1843440710 CYGJRUZHKGLBLK-UHFFFAOYSA-N 450.470 2.444 10 20 JECD O=C(Cc1ccc(Br)cn1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441279 KUPQVZHRWPCTTM-UHFFFAOYSA-N 496.365 2.383 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1F 1847980925 ZDCQFALYZXPQSS-RMMWZPCPSA-N 460.550 2.264 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H]2Cc3ccccc3O2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 27420010 VIPLWHKNFVUFGY-JOCHJYFZSA-N 454.504 2.471 10 20 JECD CC/C(NCCCN1CCN(c2ccc(OC)cc2)CC1)=C1\C(=O)NC(=S)N(CC(C)C)C1=O 29005912 MHDAKEMGIUTXPU-DQRAZIAOSA-N 487.670 2.360 10 20 JECD CC(C)COC(=O)N1CCC(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 726205465 IMMHSPWBCSSMKA-UHFFFAOYSA-N 479.549 2.326 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(-c4nnnn4C4CC4)c3)CC2)cc1 726727875 UHQRJPDMAOGFET-UHFFFAOYSA-N 461.526 2.407 10 20 JECD Cc1nc(COc2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)no1 731124093 HREKNJVLMVMJDQ-UHFFFAOYSA-N 469.473 2.188 10 20 JECD CCOC(=O)c1cnn(-c2ccc(F)cc2)c1N/C=C1/C(=O)NC(=S)N(CC(C)C)C1=O 747827265 KSJXKIPWNAJQDR-SXGWCWSVSA-N 459.503 2.383 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cc(F)cc(N4CCOCC4)c3)CC2)cc1 748468141 AEICRFPQEPNXCO-UHFFFAOYSA-N 456.518 2.348 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C[C@@H](NC(N)=O)c3cccc(C)c3)CC2)cc1 914446340 WZCSIGCZGZWCPS-HSZRJFAPSA-N 453.587 2.432 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)CC2)cc1 917244460 GZCCQXWUEXWGKV-UHFFFAOYSA-N 489.594 2.068 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 917709965 XFZFIFZOHFEBCY-UHFFFAOYSA-N 486.569 2.140 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3S(=O)(=O)N3CCOCC3)cc2F)C[C@@H](C)O1 917715337 PEZBDERUEVMQPW-HDICACEKSA-N 491.585 2.390 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(=O)OC)cc2[N+](=O)[O-])cc1C 917758429 XSXPZANMLCJDQL-UHFFFAOYSA-N 457.486 2.252 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)cc2)C1 917836322 LDHAHKHMLFHSPS-LJQANCHMSA-N 465.529 2.322 10 20 JECD C[C@@H](OC(=O)[C@@]12CCC(=O)N1CCS2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 918006952 PQHKTTRXUSNALY-OZAJXLCCSA-N 464.499 2.398 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)C1 918117014 FEISDSMGKODTJD-FQEVSTJZSA-N 467.545 2.195 10 20 JECD CNS(=O)(=O)c1cccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 918213269 OTRDYGSNOMMRDU-HOTGVXAUSA-N 464.563 2.347 10 20 JECD CCn1c(SCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nnc1-c1ccco1 918340051 JUQGZKQNQYMBQS-UHFFFAOYSA-N 475.596 2.201 10 20 JECD CC(=O)N[C@@H](CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)cc1 918340963 ZDTCGIZPLFXWCF-NRFANRHFSA-N 463.987 2.459 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cc(OC)c(OC(F)F)cc3N)nc12 919158255 UODFJDVHOFSUFZ-UHFFFAOYSA-N 452.370 2.161 10 20 JECD O=C(Nc1ccc(CN2CCOC2=O)cc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 919663542 HOSNCRQLIXGWDS-HXUWFJFHSA-N 453.495 2.491 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 919790163 NLOQFCQMNVALNJ-UHFFFAOYSA-N 462.554 2.199 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 919790174 OKFZZKWYLBJYLR-UHFFFAOYSA-N 479.002 2.393 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C13CCC(CC1)CC3)C2 1783247068 PCDUNCCQBAYXCA-NTPNBAIZSA-N 479.668 2.331 10 20 JECD COC(=O)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c(C)c1 1785278422 PXMOBTVWMSDTOU-ZWDKTXKMSA-N 496.516 2.055 10 20 JECD CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2)c1cccnc1 1793324539 LGZXASNDYQAPNN-NYUBLWNDSA-N 497.552 2.406 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)C1CCC2(CC1)OCCO2 1796935076 UDUPAENQZGADRZ-NUZGMZIFSA-N 480.565 2.351 10 20 JECD CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1803722793 GRASEXSKXWRXFX-NRHKCWLZSA-N 496.564 2.080 10 20 JECD O=C(Cc1cccc2ncccc12)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804334529 NLDNNKVEPLMTFA-BJWYYQGGSA-N 468.604 2.276 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3cnccc3n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996458 SWKDYUJMNVSHMH-SBUREZEXSA-N 470.489 2.464 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)COCc3ccccc3)C2)CC1 1809528134 OGBYYROCKUZPSQ-UHFFFAOYSA-N 475.636 2.295 10 20 JECD O=C(c1ccc(N2CCOCC2)cc1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810551314 GUVHZJRDADYSQD-UHFFFAOYSA-N 480.565 2.488 10 20 JECD COCCOCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811804332 VOHBCIWNFKCIDS-MGPUTAFESA-N 463.918 2.129 10 20 JECD Cc1nc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)ccc1F 1814185140 LEPWYTCLZXJPKW-YWZLYKJASA-N 487.582 2.104 10 20 JECD Cc1ccoc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814189677 WAHJGJSEVSOANX-CRAIPNDOSA-N 458.565 2.163 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnc(C(F)(F)F)cn1)CC2)c1cc(O)nc(O)c1 1816725851 QOHOTOJSCUTNCL-SECBINFHSA-N 480.428 2.298 10 20 JECD O=C(Cc1ccc(F)cn1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1817543440 XTDYWUUXQSXUGH-HNNXBMFYSA-N 476.559 2.039 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccc(O)c([N+](=O)[O-])c1 1821043464 VIJTVFDQYAQIFF-CQSZACIVSA-N 468.426 2.449 10 20 JECD CC(C)c1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)n[nH]1 1821551796 OLGDDOIUQSHSFY-JTQLQIEISA-N 478.625 2.076 10 20 JECD O=C(CCn1cncn1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1822683187 NVZSBAMXZUZRHI-OAHLLOKOSA-N 459.894 2.462 10 20 JECD Cn1ncc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CN4C(=O)CSC4=S)n[nH]3)ccc21 1823498232 OVKOCFUNFJQHTN-KRWDZBQOSA-N 497.606 2.463 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cnccn2)CC1 1824307866 RRNUJSRJVHFLON-CYXJOQHWSA-N 466.538 2.469 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)Cc1cc(F)ccc1F)CC2 1828249424 HIIFONKHYTWXOC-GFCCVEGCSA-N 496.586 2.436 10 20 JECD O=C(CCOc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1834832962 OGFPMCCHLKQDDS-DEOSSOPVSA-N 490.940 2.290 10 20 JECD COc1cccc(OC)c1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1836241191 DBXFLVDNRNZWKA-UHFFFAOYSA-N 484.553 2.009 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031768 LFAQNQKPNPRYFP-KRWDZBQOSA-N 468.554 2.379 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)Cc2cccc(Cl)n2)C1 1842113599 VNKVQCQLUMIOGR-UHFFFAOYSA-N 451.914 2.274 10 20 JECD O=C(c1ccc(N2CCOCC2)cc1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441453 ASRSWVIYDLTVFC-UHFFFAOYSA-N 487.560 2.133 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCc2sccc2C1 1848108845 SRAQTSSZMKKEKG-BTBBHFPPSA-N 469.563 2.138 10 20 JECD CNS(=O)(=O)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)ccc1OC 109702441 ABECLPBMERQOHJ-FQEVSTJZSA-N 461.584 2.491 10 20 JECD CCOCCCNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c1 747017904 RQJPTHBULFUTOW-UHFFFAOYSA-N 452.555 2.480 10 20 JECD O=C(COC(=O)c1ccc(O)cc1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 825177840 SNWJHFYNPTUPQL-ZDLGFXPLSA-N 486.527 2.295 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CN3c4cccc5cccc(c45)S3(=O)=O)CC2)cc1 842783580 KJQAMDSYLHZDFP-UHFFFAOYSA-N 495.557 2.249 10 20 JECD CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1 906369905 YOYQBHPMBHFPDG-UHFFFAOYSA-N 466.566 2.477 10 20 JECD Cc1cc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)n([C@H]2CCS(=O)(=O)C2)n1 913128647 DGRJTMTZOYAONP-ZDUSSCGKSA-N 494.485 2.487 10 20 JECD Cc1c(NC(=O)[C@H](C)SCC(=O)OCC(=O)c2ccc(O)c(O)c2)c(=O)n(-c2ccccc2)n1C 916621550 RFIBDTIEDWAYCY-HNNXBMFYSA-N 499.545 2.382 10 20 JECD Cc1cc(C(=O)OCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)c(C)n1-c1ccc(F)cc1 917221684 HJCGSIFITRGCPY-UHFFFAOYSA-N 472.561 2.449 10 20 JECD CSCC[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)N1C(=O)c2ccccc2C1=O 917833732 SXKCYCUMFRIBCE-PGRDOPGGSA-N 494.617 2.422 10 20 JECD CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)ccc1C 918335505 NIHXSQHCTXEFCX-UHFFFAOYSA-N 493.651 2.190 10 20 JECD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1C 918813661 FMFLARULRDTIPK-GOSISDBHSA-N 485.562 2.294 10 20 JECD O=C(COC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 920683875 XKMSFPGXGGTILQ-QHCPKHFHSA-N 483.540 2.055 10 20 JECD C[C@@H](NC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)C(=O)NC(C)(C)C 921203662 GNMGUDCVODNGPT-GFCCVEGCSA-N 464.500 2.134 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1sccc1S(=O)(=O)N1CCSCC1 921281094 MZSJNXQFOKZPLZ-UHFFFAOYSA-N 485.628 2.391 10 20 JECD Cc1ncnc(O)c1CCC(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1337701684 KHDRXXLWNCPHFA-GASCZTMLSA-N 460.506 2.036 10 20 JECD COc1ccc2nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)c4cc(O)nc(O)c4)C3)ccc2c1 1777848336 QNZKFXNLJWUJJV-QFQXNSOFSA-N 492.532 2.491 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc2nccn2c1 1778704747 KJVZPQIFBDVRKI-GQZXHLMHSA-N 492.532 2.292 10 20 JECD CCOc1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)cn1 1781119193 CFHVFXBCPVLJMY-WZONZLPQSA-N 490.944 2.381 10 20 JECD Cc1ccc(OCC(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785509496 QOWSPKUSRNCIQI-KPPJJKTOSA-N 468.506 2.034 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)COC4)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539481 JJRFTZHBZDVWIU-APTRMMRNSA-N 488.544 2.103 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)(Cl)Cl)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540084 BNNPCLSITLBUSJ-NOLJZWGESA-N 487.771 2.129 10 20 JECD CCOc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790242439 NPJCJKXRKKLHLN-AXHNFQJDSA-N 475.929 2.452 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(C(F)F)c3)C[C@@H]21 1792217875 UKHXRCIUAHBEEG-GMFVMRAESA-N 489.475 2.443 10 20 JECD Cc1cc(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)c(C)c1 1792244974 FHSPHOSEIIPOSX-BZSNNMDCSA-N 475.636 2.065 10 20 JECD CC(C)(C)n1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)nn1 1796933115 PRBZBTPESIHXJL-VBUUOAMHSA-N 463.542 2.078 10 20 JECD C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1800125502 NOPIGDBRTSWGSC-QLIIJSOBSA-N 482.537 2.307 10 20 JECD CC(=O)Nc1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1809595147 GAYYTTJOATWZPG-CLOONOSVSA-N 489.532 2.409 10 20 JECD O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812502505 IPERLLDIVADFLA-QMHKHESXSA-N 495.467 2.497 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)CC1 1814294268 VYSKPGJNEHSZPC-UZLBHIALSA-N 497.552 2.265 10 20 JECD CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)COC1 1814558149 INPMRPDRUHKMKL-SFHVURJKSA-N 450.499 2.231 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc(C2CC2)on1 1814629336 XITGITYRLJXBRM-CQSZACIVSA-N 474.568 2.441 10 20 JECD Cc1n[nH]cc1C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361871 JZVVCWPLXZKFRA-ZDUSSCGKSA-N 463.523 2.193 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccncc1O)CC2)C1=NN(c2ccccc2)C(=O)C1 1817361996 OFIMZGLAESTRAI-ZDUSSCGKSA-N 476.518 2.262 10 20 JECD CC(C)(C)OC(=O)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822118829 ZRXBRHAIMIKCLB-AWEZNQCLSA-N 460.491 2.047 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccn3n2)CC1 1828065379 HAICSHKGDJNAOP-LJQANCHMSA-N 485.635 2.428 10 20 JECD Cc1cccnc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1832779175 CCCYIPMIWAHQNI-DEOSSOPVSA-N 489.956 2.157 10 20 JECD Cc1oncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898671 VOFRZTSVVPTXFG-INIZCTEOSA-N 450.586 2.077 10 20 JECD Cc1cncc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)c1 1839432689 WYIKFRARLBISEF-DEOSSOPVSA-N 489.956 2.157 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CSc1ccc(F)cc1F 1847768928 VDWMHNMGMOWODO-KBPBESRZSA-N 471.576 2.119 10 20 JECD CCOC(=O)c1sc2ncn(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(=O)c2c1C 23474289 KCBYRLNBSJHYHK-UHFFFAOYSA-N 470.551 2.301 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CCn3cnc4c(C)cccc4c3=O)CC2)cc1 28065223 DYKOHIUUEHWBBJ-UHFFFAOYSA-N 463.582 2.432 10 20 JECD COc1ccc(N2CCCN(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 108427086 DMPWSQLTXHZCJG-UHFFFAOYSA-N 487.622 2.388 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N[C@@H](CN3CCN(C)CC3)c3ccccc3)CC2)cc1 727843865 NENYHZKZWXIRPJ-SANMLTNESA-N 480.657 2.105 10 20 JECD COc1ccc(N2CCN(CCNC(=O)COc3ccc(N4CCCC4=O)cc3)CC2)cc1 742927504 SHZYTQDCCGEIFC-UHFFFAOYSA-N 452.555 2.139 10 20 JECD COc1ccc(N2CCCN(CC(=O)NCc3ccccc3CN3CCOCC3)CC2)cc1 917087796 GMGGJAKDIZZPLD-UHFFFAOYSA-N 452.599 2.356 10 20 JECD Cc1ccc(-c2nnc(S)n2CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 918336092 VMYXWMMKXSNVPS-UHFFFAOYSA-N 471.608 2.093 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 920194483 DIQLAZNRAURZPO-UHFFFAOYSA-N 481.578 2.224 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cnccc1F 1777753757 BZUUAALQKSXWBD-PXDATVDWSA-N 479.512 2.141 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc3[nH]ncc3c1)C2)c1cc(O)c(O)c(Cl)c1 1781122746 JRGWSGWTERBRSN-WZONZLPQSA-N 485.928 2.464 10 20 JECD COC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753804 MXFVXYYBQCPRJE-RUZDIDTESA-N 453.539 2.491 10 20 JECD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008177 WOYOIDNEZZFEGY-MWTRTKDXSA-N 497.976 2.498 10 20 JECD COc1cc(F)ccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1782853010 QABJQCFVHULRBI-WZONZLPQSA-N 459.474 2.082 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)CCO2 1785510262 IXXRHSXKUSAMMQ-ZDJFEYNQSA-N 464.518 2.450 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncccc3-c3ccccc3)C[C@@H]21)c1cc(O)nc(O)c1 1787292037 NOSZXDUVSKQEGM-YYWHXJBOSA-N 474.517 2.462 10 20 JECD COc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc1 1796481414 XEVIJGVTGYJEEV-ZJZZYZHZSA-N 490.560 2.010 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)ccc1O 1799579731 UTYKODBRUFYPEY-CLLJXQQHSA-N 498.424 2.267 10 20 JECD CC(C)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CCC1 1801607057 BXRMLSCLVUCRGB-OPMZPASUSA-N 452.555 2.195 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2ccc3c(c2)OCO3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991593 QKPUZDBFGNBBCL-BXKMTCNYSA-N 476.489 2.179 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccn3cncc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995182 DTSWJDMXEBFQJT-AOMKIAJQSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2cncn2c1 1810011492 OBFFFNTXUYKYQD-OPAMFIHVSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccccc1-n1nccn1 1811470237 NLKYMQWLJQGGKP-GAJHUEQPSA-N 485.504 2.102 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cncnc2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811798277 LVXBBBGRBCJYIN-IIBYNOLFSA-N 467.913 2.499 10 20 JECD Cn1cc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)cn1 1811808896 FXDHDQQOZXISBC-IIBYNOLFSA-N 469.929 2.442 10 20 JECD O=C(CC1(O)CCC1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813635472 XPXUVDYBIIYILC-DVECYGJZSA-N 475.549 2.185 10 20 JECD Cc1cnc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cn1 1814161703 BDYHCLMGNWVCOR-OPWPMMOYSA-N 475.505 2.330 10 20 JECD O=C(/C=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)NCc1ccccc1 1814843439 SVXJSVHGYXSEKR-YXBWYFRISA-N 490.520 2.394 10 20 JECD O=C(Cn1ccc2sccc2c1=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816721011 DGZSGOCABGNDGD-LBPRGKRZSA-N 497.558 2.252 10 20 JECD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1)n1cncn1 1823479391 KEORVQJTOXIZQI-BHDDWZGFSA-N 467.486 2.085 10 20 JECD CC(=O)N(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1824884723 NDEZQGWVSKLAKD-HSZRJFAPSA-N 481.597 2.267 10 20 JECD Cc1noc(C)c1CCC(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240233 SEQZKBLNZCPHTQ-GFCCVEGCSA-N 493.636 2.153 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)C(Cl)(Cl)Cl)CC2 1828247549 YGEQELGXRNBINP-LURJTMIESA-N 487.843 2.286 10 20 JECD Cn1nccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876960 OWTRGEYKRANDPH-IWHGQQBYSA-N 454.527 2.484 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902168 ZJVQCWCAWKKOBQ-FUHWJXTLSA-N 489.667 2.362 10 20 JECD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)C1(O)CCC1 1833069463 KTWPLTXELRYGQD-OAHLLOKOSA-N 480.005 2.488 10 20 JECD COC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833117802 LMLYXBCYEFCEFK-UHFFFAOYSA-N 453.967 2.361 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)CC2)CC1)c1cc(O)nc(O)c1 1834987101 BGRURKSSGHLVHL-UHFFFAOYSA-N 490.564 2.382 10 20 JECD Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)o1 1835134020 VRBBNZHNAMGSGW-UHFFFAOYSA-N 491.592 2.495 10 20 JECD CN1CCCC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1836729675 DHTJAKFRPSPXCJ-PVHVJQTOSA-N 487.597 2.300 10 20 JECD CC(C)c1cc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)n[nH]1 1838545953 JMUXYNUJJIMYJA-UHFFFAOYSA-N 493.655 2.006 10 20 JECD Cc1ccccc1C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838579033 AGPUKZAHHKKVSF-UHFFFAOYSA-N 475.636 2.468 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cn3ccc(Br)cc3n2)C1 1843989823 LTFDNESTCOTAIB-UHFFFAOYSA-N 472.299 2.034 10 20 JECD COc1ccc(-c2ncccc2C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)cc1 1847056914 VCSOZYVCJIHUPI-UHFFFAOYSA-N 496.614 2.435 10 20 JECD Cc1cc(C(=O)COC(=O)CN2C(=O)CN(C)C2=O)c(C)n1-c1cccc(Br)c1 19113474 QEPQFUUVWSOOMW-UHFFFAOYSA-N 462.300 2.477 10 20 JECD COc1ccc(N2CCC(NC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 110359419 PEBCMRLVTIYFRL-UHFFFAOYSA-N 487.622 2.434 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)C1 725824976 AMUCZWDAMADBGC-CQSZACIVSA-N 452.920 2.428 10 20 JECD O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 726526353 GLXZIQFITJSUPJ-UHFFFAOYSA-N 467.476 2.451 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc4nc5n(c(=O)c4c3)CCC5)CC2)cc1 726726198 OPEDLRDZJFSXCR-UHFFFAOYSA-N 461.522 2.075 10 20 JECD O=C(COC(=O)CNC(=O)c1ccc(O)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 727542146 TUESOUFEYZOSSZ-UHFFFAOYSA-N 458.426 2.079 10 20 JECD C[C@@H]1CCCN(C(=O)C2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)C1 917059478 CZGZSUXYQQSZFR-LJQANCHMSA-N 460.594 2.249 10 20 JECD COC(=O)c1cc(S(N)(=O)=O)ccc1NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917086687 MLMFFABBDXGERE-KBPBESRZSA-N 451.520 2.485 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CCNS(=O)(=O)c3cccs3)cc2F)C[C@@H](C)O1 918141340 UUZMVGCZMQGOIQ-GASCZTMLSA-N 455.577 2.486 10 20 JECD CC[C@H](C)NC(=O)CN1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 918221841 RTQKBYIUHOUWPM-FHWLQOOXSA-N 463.598 2.181 10 20 JECD O=C(Nc1ccccc1C(=O)N1CCOCC1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918294006 AULVOOADPPTUQJ-LJQANCHMSA-N 467.522 2.011 10 20 JECD Cc1cc(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(Br)c1 920290962 QFKBMBVDLUAYKM-INIZCTEOSA-N 482.400 2.232 10 20 JECD COCCn1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)n1 1781122755 LEMOSWCHYPROTG-AUSIDOKSSA-N 492.960 2.035 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc2occc2c1O 1781336725 XXNBYXPWIQEXGI-HOYKHHGWSA-N 467.478 2.386 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)C2)C1 1782858161 LULROLRBMALKBO-QMHKHESXSA-N 457.914 2.320 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cc(-c2ccncc2)[nH]n1 1788927501 ZUTMZGBEMVNMSO-HTZUNMPGSA-N 497.939 2.443 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnc(O)nc4O)C[C@@H]32)cc1 1790126935 XLZINXVVEXSYPY-NYVOZVTQSA-N 491.548 2.202 10 20 JECD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1)c1ccc(O)cc1 1792217986 MDGNMPPGBBOBOO-WJCJOHOCSA-N 482.533 2.306 10 20 JECD CN1CCC(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CC1 1792682835 KDQYLWYTOULQNZ-NUZGMZIFSA-N 451.571 2.149 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C(F)(F)F)c1)C2)c1cc(O)nc(O)c1 1796139590 HNPUDWBVAYAPCZ-ZSBFGKGUSA-N 451.401 2.029 10 20 JECD Cc1cccc(C)c1N1C[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)CC1=O 1796598743 DBXMNPMLUDIIIB-YSTOQKLRSA-N 478.549 2.415 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc2cccnc2s1 1796909258 VUVNJEQMESROFH-FAQVEIGNSA-N 489.557 2.292 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1ccon1 1805996589 VYXJYWRBOXFJSA-VGOFRKELSA-N 458.478 2.182 10 20 JECD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cn1 1808463678 FGYVWYQKHFZAIX-CYFREDJKSA-N 483.532 2.293 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1c[nH]c2ncccc12 1809126086 RZJCSTBHLNSKEU-QRWLVFNGSA-N 494.602 2.138 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc2c(c1)COC2 1809312635 VDYCQUBSOJAQDF-VGOFRKELSA-N 496.614 2.292 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1[nH]cnc1-c1cccnc1 1811330422 YDEZJKOUFCMSPD-SBUREZEXSA-N 485.504 2.306 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccc1F 1811680795 BUDFMZWOSSLVDX-MGPUTAFESA-N 472.567 2.401 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cn2ccnc2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811798325 MKQRLOWSKGXZML-QRWLVFNGSA-N 455.902 2.363 10 20 JECD C[C@H](Cc1ccco1)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814191596 LYZAYHDLEVXXNU-CEQIKUNHSA-N 486.619 2.420 10 20 JECD CC(=O)N(C)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1815585148 BFUHQHBOQYWHOQ-UGAXZCSASA-N 471.514 2.100 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816726778 ZMFMOIFQPUIDBD-VIFPVBQESA-N 482.444 2.241 10 20 JECD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)nn1C 1817364765 YNTIZUSCKFPITC-AWEZNQCLSA-N 477.550 2.204 10 20 JECD C[C@H]1CCc2c(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cc(O)nc(O)c3)CC4)n[nH]c21 1818335279 WNSUKTQJXPTUDO-GXSJLCMTSA-N 454.512 2.262 10 20 JECD O=C(COc1cccnn1)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1822756681 RXDXTKURWWYPLF-DYLHUKMJSA-N 480.481 2.101 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc[n+]([O-])c1)CC2)c1cc(O)c(O)c(Cl)c1 1823708127 MRKJBQAPESUHMJ-GFCCVEGCSA-N 460.899 2.381 10 20 JECD COc1ccc([C@@H](O)C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)cc1 1823951916 FGIQQVSRLKFOGL-NZQKXSOJSA-N 469.538 2.468 10 20 JECD Cn1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)n1 1825979829 XOBAINDPKVMDBD-JOCHJYFZSA-N 462.554 2.446 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1cccs1)CC2 1828242203 DLCPDAKVVUDBBC-JTQLQIEISA-N 466.635 2.220 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3[nH]ccc3n1)CC2 1828244830 SJMRXHLWUBXOBS-JTQLQIEISA-N 486.604 2.106 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCC4)CCO3)C2)cc1 1829877144 PJTPTBHCQBWRFT-HHHXNRCGSA-N 480.609 2.260 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2[C@H]3SC=C[C@H]32)CC1 1831159799 KEOJDNNILLMSKH-SAKMYQHLSA-N 465.666 2.342 10 20 JECD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)C1 1832896799 QFEZKOAWYGNVOY-KURKYZTESA-N 495.667 2.056 10 20 JECD Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)n1 1833092634 WDXWAVAHTMKXEN-MHZLTWQESA-N 491.592 2.369 10 20 JECD Cc1ncccc1C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835132861 UDGZQZSYZKDMTN-UHFFFAOYSA-N 488.592 2.368 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C(F)(F)F)c3F)C2)C1 1836418977 KDKAWOCDFWYPRK-NRFANRHFSA-N 499.417 2.035 10 20 JECD COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)c1 1839431786 MWIZAQZTYMYJBR-XMMPIXPASA-N 490.940 2.073 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC2(F)F)C1 1843852744 KWBOXSIMHRCFBB-JKSUJKDBSA-N 495.523 2.392 10 20 JECD CN(C)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)cc1 15450477 LYYCYSKENAGEIB-UHFFFAOYSA-N 495.443 2.138 10 20 JECD C[C@@H]1CN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CC(C)(C)O1 210867443 YCQGLWJVUSCQOS-UHPUNMKFSA-N 477.608 2.232 10 20 JECD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1 726725837 KJCQPDOCVVBVSY-UHFFFAOYSA-N 488.610 2.497 10 20 JECD CC(=O)N[C@H](CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1c(F)cccc1F 727372079 WNTDPRRBPMJXJO-HXUWFJFHSA-N 465.522 2.083 10 20 JECD CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c2ccccc2O1 731131471 JPKDROQISCFKHD-QFIPXVFZSA-N 450.539 2.079 10 20 JECD CCN(CC)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)cc1F 731345702 FZTKFQPPQIOBFV-UHFFFAOYSA-N 490.601 2.455 10 20 JECD CCN(CC)c1ccc(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F 731364219 UNBRAESPECUZBE-UHFFFAOYSA-N 467.523 2.358 10 20 JECD NS(=O)(=O)Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 746629453 TXHOHIRYLGEYJP-UHFFFAOYSA-N 478.482 2.046 10 20 JECD O=C(CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCN(c2ccccn2)CC1 748465117 KFXCJUYWVGHWNE-NRFANRHFSA-N 467.570 2.217 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(Br)c2c(c1)OCCO2 748712557 JBMCLEZFBRYWRO-UHFFFAOYSA-N 481.368 2.385 10 20 JECD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754537539 PYYLKXSPEIMGTJ-UHFFFAOYSA-N 479.514 2.074 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NCCNC(=O)C1CC1 914440104 UOGWRUIKYNKFJS-ZROIWOOFSA-N 468.398 2.293 10 20 JECD Cc1cc(C(=O)COC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 916736590 BVYBCLHWSFQQMU-UHFFFAOYSA-N 498.561 2.345 10 20 JECD CN(C)c1ccc(CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C2CC2)cc1 917074180 SPYNMGZHVUBYJD-UHFFFAOYSA-N 474.602 2.389 10 20 JECD C[C@H](C(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1)n1cccn1 918285078 WNZNIOPSQKCBAB-QGZVFWFLSA-N 494.527 2.313 10 20 JECD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)ccc1O 1780750818 NYVRFDCTSCJCFR-QFIPXVFZSA-N 462.886 2.223 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4ncc[nH]4)cc3)C2)C1 1785151186 UMXXGJPUPVTGHT-HHHXNRCGSA-N 498.543 2.313 10 20 JECD Cc1cc(C)cc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)c1 1787294946 GCHLNEHYHMYWIH-JBACZVJFSA-N 453.539 2.336 10 20 JECD CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C[C@@H]21 1787411576 TXQBEBVVJIOKPE-SNJCGAMXSA-N 481.597 2.134 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ncc(Cl)cc1Cl 1792416488 YRQLLDLGYFAAML-RJSSMCAOSA-N 494.331 2.422 10 20 JECD Cc1cc2cccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3=NN(c4ccccc4)C(=O)C3)c2[nH]1 1796479412 GAPPFMUJYFIVBD-NHKMSHSESA-N 485.544 2.472 10 20 JECD C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796602466 LHWRESMWFZXNQN-DQEVTTJGSA-N 468.510 2.060 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSc2nc[nH]n2)C3)cc1 1799622427 OXZNYBYWXHBIEH-HATOLVCRSA-N 480.594 2.208 10 20 JECD CC(C)(C)c1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cn1 1799768111 KUCNRBJULWMPRZ-HBCWATKFSA-N 474.945 2.356 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@H]1C[C@H]1c1ccccc1 1800927079 GLOJBDMIKOGLJZ-FJGAIVNOSA-N 464.518 2.210 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(Cl)cnc1O 1802329769 FESUKLPYBMQMOG-ORAYPTAESA-N 469.885 2.275 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)[C@H]1CCCCO1 1802588873 CZKBIOCNUNJOJS-KWOQKUFVSA-N 475.549 2.449 10 20 JECD COc1cccc(Cl)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1803755366 ZZUUHAPIQIGHEV-CLLJXQQHSA-N 468.000 2.461 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)[C@H]1COc2ccccc2O1 1804283621 IKOYLGUSGOCXLJ-XAAJFATASA-N 466.490 2.295 10 20 JECD CC(C)(C)n1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n1 1807991186 NLGGJVWDQHNKNY-IIBYNOLFSA-N 464.526 2.473 10 20 JECD COc1ncccc1CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807994428 WZAQULVZXPULKI-MBSDFSHPSA-N 477.521 2.244 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc(O)c([N+](=O)[O-])c1 1810708140 WXFHSXDMJJISOK-VFNWGFHPSA-N 479.449 2.135 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)Cc2ccc(O)cn2)[C@H]1c1cccnc1 1814167104 XHHPBAVFTQAYII-PFICCCKGSA-N 490.516 2.261 10 20 JECD COc1ccccc1CC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814189404 GWOVMAXDWXFGTD-JPYJTQIMSA-N 498.630 2.199 10 20 JECD CN1CCC[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)C1 1817361762 FWFXUOZLIWXBEF-CVEARBPZSA-N 480.594 2.190 10 20 JECD O=C(Cc1ccccn1)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362313 KNSPBVMGRAEQCR-MRXNPFEDSA-N 474.546 2.486 10 20 JECD Cc1cnn(CC(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)c1 1817362407 NZZMOISCALYZLC-HNNXBMFYSA-N 477.550 2.053 10 20 JECD CC(C)(O)CC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362415 OGEODLXLCALSRP-CYBMUJFWSA-N 455.540 2.009 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc2cnccc2[nH]1 1819176109 LNUZHXWCYOBZBH-INIZCTEOSA-N 483.579 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)CCC(F)(F)F)CC2 1828242161 AVNCTQHJWIHZFS-MRVPVSSYSA-N 466.532 2.258 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1ccccc1F)CC2 1828242855 SJPAZRRRBMZTEL-LBPRGKRZSA-N 478.596 2.297 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(F)(F)CC1)CCO2 1831012485 FQLBKUBDXOEKSN-KFVKGYIZSA-N 496.507 2.099 10 20 JECD O=C(O)CSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1831884345 QZXKNCJTKZIKJB-FQEVSTJZSA-N 486.594 2.217 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4ccoc4C3)C2)C1 1839432131 CXZGPUAILFDYNQ-UPCLLVRISA-N 490.940 2.219 10 20 JECD CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1839433471 IWCGRWJMUSTZBE-DEOSSOPVSA-N 489.956 2.201 10 20 JECD O=C1Nc2ccc(C(=O)N3CC4(CCCN4C(=O)c4cc(O)nc(O)c4)C3)cc2[C@@H]1C1CCOCC1 1843249472 NRRNNTXKQJZBEC-QFIPXVFZSA-N 492.532 2.086 10 20 JECD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)N1CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C1)C2 1843251272 OPVXOIAKHGYQSX-ULQDDVLXSA-N 472.542 2.098 10 20 JECD O=Cc1ccccc1-c1cncc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)c1 1847055187 KUIHJHLFFAJCPX-UHFFFAOYSA-N 494.598 2.238 10 20 JECD CNS(=O)(=O)c1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ccc1OC 108452682 XAFSGXSYMZJFJK-GASCZTMLSA-N 465.547 2.286 10 20 JECD NS(=O)(=O)c1ccc(OCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726626014 TUFNLSBQSAHAGZ-UHFFFAOYSA-N 455.483 2.099 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)c1ccc(N2CCOCC2)cc1 728140883 IGSYPZMUNQEERD-KRWDZBQOSA-N 456.518 2.315 10 20 JECD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CSC[C@@H]1C(=O)N1CCSCC1)c2[N+](=O)[O-] 728476990 VXHAVDFZGZGNDL-QGZVFWFLSA-N 497.554 2.461 10 20 JECD O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCC(N2CCCC2=O)CC1 729540898 QEVUOBCZIQYARP-UHFFFAOYSA-N 488.522 2.328 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cccc(N4CCCCC4=O)c3)CC2)cc1 915744225 YKBMGHSYQSVJOG-UHFFFAOYSA-N 493.608 2.479 10 20 JECD CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 917834519 JYGRVILWOLHPII-KRWDZBQOSA-N 476.574 2.144 10 20 JECD CNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C 918287361 QIGJLAKEWZKCCB-GASCZTMLSA-N 456.518 2.362 10 20 JECD COC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)s1 919728985 AKFRUWXNTCBKEG-UHFFFAOYSA-N 491.570 2.269 10 20 JECD Cc1ncc2c(n1)CC[C@@H](NC(=O)NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)C2 919782028 AMRYTLSUCIZTNK-HXUWFJFHSA-N 476.560 2.397 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1 920253245 WETBFUMYDMQYCV-YDZSZYSISA-N 450.495 2.258 10 20 JECD Cc1cnc(O)n1-c1ccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 920540433 HCKVIPIXPCKKKM-UHFFFAOYSA-N 468.485 2.335 10 20 JECD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 920922680 KAVFXSMEUFAMSJ-QGZVFWFLSA-N 468.554 2.124 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 1778189649 DXNGBZDGOMWRRQ-BSRJHKFKSA-N 457.914 2.393 10 20 JECD CCOC(=O)C1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)CC1 1781123055 PSGDFOGDQJKQQU-VGOFRKELSA-N 480.945 2.222 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cn3ccsc3n1)C2 1783222168 JVCPKXBOKYTJKO-RVGDXEIMSA-N 498.561 2.354 10 20 JECD Cc1cc(F)cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)CCO3)c1 1784060198 QDFAXRRTWPNPPX-SANMLTNESA-N 478.524 2.299 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCCO3)CCO2 1785505102 BGZXJJPWOZXNBN-KKGOCVRDSA-N 494.544 2.214 10 20 JECD CC(C)COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)ccn1 1785506030 YFGNGYKLIXTKHE-CKUSHTOWSA-N 497.548 2.390 10 20 JECD Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799770774 FTJNJIFZLRDGEE-VPTLXERWSA-N 460.914 2.342 10 20 JECD O=C(CN1CCc2sccc2C1)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1806785753 UXBNTPLYBUCUER-UHFFFAOYSA-N 470.595 2.457 10 20 JECD COc1cc(CCC(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)ccn1 1806788850 NDHZKLIJFOXJHD-UHFFFAOYSA-N 454.527 2.374 10 20 JECD C[C@H](NNc1ccccc1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807991701 IQVFZZSTACYLPN-PRCFCKQXSA-N 476.537 2.213 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2snnc2C2CC2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994812 BZLREOOKZSYWOK-KUHUBIRLSA-N 466.523 2.250 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)cco2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468656 WRNLCIQORFJWKQ-UUOWRZLLSA-N 485.500 2.147 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@@H]2CCCSC2)[C@@H]1c1cccnc1 1814190898 DEBCSRKKKBMZGZ-FRQCXROJSA-N 478.665 2.091 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728774 VAYOVTPEXAWSCH-YPMHNXCESA-N 455.496 2.038 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccc4cccnc4n3)sc2C1)c1cc(O)nc(O)c1 1818974869 JJPJZFLSRSUCMR-CYBMUJFWSA-N 462.491 2.432 10 20 JECD N[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)c1ccccn1 1827715309 KZPAUSFHWBWCTA-UKILVPOCSA-N 488.592 2.494 10 20 JECD CCc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)nn1C 1828198371 YDVXNUXYDAHBGY-OMDQHUAHSA-N 483.550 2.495 10 20 JECD Cc1n[nH]c(C)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1829172522 SHPUEMPEQGSODU-MRXNPFEDSA-N 463.629 2.120 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c[nH]2)CC1 1831712022 PWORMYJHIGFMDF-INIZCTEOSA-N 452.577 2.247 10 20 JECD Cc1cnn([C@H](C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1 1832899211 BILJPAUCSHPDQQ-AEFFLSMTSA-N 477.656 2.233 10 20 JECD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)C1(O)CCC1 1832899681 KPTPGHHVTNUZDK-DOTOQJQBSA-N 467.657 2.018 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc4cccnn4c3)CC2)CC1 1838030234 HBNONKMIMFKOMX-UHFFFAOYSA-N 465.510 2.067 10 20 JECD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1838967088 IQJQWQOWNYTVAN-HSZRJFAPSA-N 476.913 2.144 10 20 JECD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(C)c1 1839433751 SEPOAKVESOFAKI-DEOSSOPVSA-N 490.940 2.452 10 20 JECD COc1ccc(F)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840689051 AAJKQWDJSYNFDU-QHCPKHFHSA-N 494.903 2.283 10 20 JECD Cc1ccn2c(=O)c(C(=O)N3CCCC34CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)cnc2c1 1843787745 JNYSSMRGUNQHOX-UHFFFAOYSA-N 468.897 2.198 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cccc(N3CCOCC3)c2)C1 1845391079 GUSOOXGROHWXTO-UHFFFAOYSA-N 487.560 2.133 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)c2ccccc2o1 1847427200 SAFUWINHOLQQLH-IWDGFTLQSA-N 462.458 2.439 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)NCc3ccc(-n4ccnc4C)c(F)c3)nnc2n1 109060597 YFLVZFVEOMSXRF-UHFFFAOYSA-N 484.565 2.425 10 20 JECD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 745268002 WWPKTGIFDJELFU-HXUWFJFHSA-N 495.580 2.191 10 20 JECD CS(=O)(=O)Nc1cc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1Cl 747239185 LISXWKYNAGRJJR-UHFFFAOYSA-N 499.948 2.160 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)OCCN1C(=O)CCC1=O 913361298 PTLOXTAGWMYWKW-UKTHLTGXSA-N 483.365 2.343 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CSc3nnc(SCC(N)=O)s3)cc2F)C[C@@H](C)O1 917186632 MEAXOBRXJUAVEZ-VXGBXAGGSA-N 485.632 2.277 10 20 JECD CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 918216703 SVEYOUUVQGTIEV-UHFFFAOYSA-N 479.597 2.404 10 20 JECD CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 918442794 OKFHJOITWNPVGQ-UHFFFAOYSA-N 452.555 2.208 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 918443087 RXIZIIVPKSHHCR-UHFFFAOYSA-N 492.498 2.442 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 919776349 RQTSMFPZFZQAQD-UHFFFAOYSA-N 478.546 2.005 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)Cc4ccccc4F)CC3)cc2)C1 921243201 PBEXZYAVMNTNJD-NRFANRHFSA-N 481.572 2.124 10 20 JECD CC(C)(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778126664 IDCVOYXQMDBUEH-CJFMBICVSA-N 470.570 2.108 10 20 JECD COc1cccnc1CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003521 KZILKUIQTRGBKZ-QHCPKHFHSA-N 475.929 2.231 10 20 JECD Cc1cc(F)ccc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1785254156 JLXJONKVAYADQW-CMEAPCDJSA-N 456.470 2.408 10 20 JECD CCOc1ccc(Cl)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785544982 GMABVQGBFJRGGU-OAQYLSRUSA-N 498.026 2.043 10 20 JECD Cc1c(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)cn2[nH]cnc(=O)c12 1788427855 YRLDTNAOAFSPSU-UHFFFAOYSA-N 474.477 2.199 10 20 JECD NC(=O)c1ccc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)cc1 1792080727 DYWOZWVPYRGOHV-UHFFFAOYSA-N 482.587 2.394 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3cnc(OCF)cn3)CCC2)cc1 1792314163 ZTXLHCUTRRQODN-UHFFFAOYSA-N 489.554 2.390 10 20 JECD Cc1ccc(S/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)cc1 1797704987 OAODZQMKYBVYOU-VASXEIHQSA-N 491.660 2.051 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1[C@@H]2Sc3ccccc3[C@H]21 1797768209 HGJMWWKFMPVTPY-MIUWLYNLSA-N 494.569 2.294 10 20 JECD Cc1ccc(=O)n(C(C)(C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)n1 1798587461 LXOPWGFBNBOOSG-MUJYYYPQSA-N 474.945 2.303 10 20 JECD COc1ccc(Cl)cc1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1801531984 CEMUPDUZCFMEQX-MUJYYYPQSA-N 482.027 2.390 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)[C@@H]1CCC(F)(F)C1 1802406276 NOENTBPKNMYUAU-QIIPPGSGSA-N 482.578 2.383 10 20 JECD Cc1occc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1805621253 KJNHTPRCYCQHOV-KXBFYZLASA-N 458.565 2.163 10 20 JECD O=C(Cc1ccc2c(c1)OCO2)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1806677585 NRZLTENZMNMISC-OSPHWJPCSA-N 476.489 2.179 10 20 JECD Cc1ncc(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)cn1 1807931969 QFCZFGXSPSKKRP-GQCTYLIASA-N 452.511 2.460 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C[C@H]2COc3ccccc3O2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994751 ZEMRUUAVTSXPMP-KMEZTADASA-N 490.516 2.438 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)cc2F)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808000574 NSVUEIWBUAYVJW-SZNDQCEHSA-N 452.442 2.366 10 20 JECD CC(C)(C)NCC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808468517 RWVKSJIFQNURMT-YADARESESA-N 476.581 2.268 10 20 JECD C/C(=C/C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)C(=O)O 1814098727 FRJYRVDCZDINAT-WFJRWXJDSA-N 459.886 2.497 10 20 JECD C[C@H](Cn1cccn1)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162609 NYWDXFNRYUDYRV-VJVCHYCPSA-N 491.548 2.450 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)[C@H]1c1cccnc1 1814190323 WUTPKAQPJPIQNQ-KNBMTAEXSA-N 458.609 2.304 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccc(N2CCOCC2)cn1 1816203999 WAFDGDQPFLCBDZ-IBGZPJMESA-N 493.524 2.067 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccn3ccnc13)CC2)c1cc(O)nc(O)c1 1816725827 MRSLNBVOOWIPQZ-LBPRGKRZSA-N 450.480 2.137 10 20 JECD O=C(CS[C@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816726434 WBKAVMYHYZDDNC-SGTLLEGYSA-N 464.569 2.435 10 20 JECD CC(=O)C[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367393 ZMUBBPFQLQQPLW-HIFRSBDPSA-N 467.551 2.463 10 20 JECD CC(C)N[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)C(C)C 1823497928 IUKWUHMINBJESE-BEFAXECRSA-N 480.660 2.285 10 20 JECD O=C([C@@H](O)Cc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429432 KWTHPHLZUAGVNW-RTWAWAEBSA-N 453.539 2.330 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)CC1 1829716507 HXFSTMGLDAXNAV-KRWDZBQOSA-N 460.918 2.382 10 20 JECD O=C(c1cscn1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898684 VVKDZRLASLVIRF-OAHLLOKOSA-N 452.627 2.237 10 20 JECD CCc1cnc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)s1 1838432677 PFBBCJOGFFHBDZ-UHFFFAOYSA-N 496.680 2.178 10 20 JECD Cc1noc(N)c1C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331293 GDPOADCEOKPLIV-GOSISDBHSA-N 498.584 2.100 10 20 JECD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1847037482 LSCNSZXABRTIAM-GUFQSERGSA-N 487.553 2.323 10 20 JECD NS(=O)(=O)c1ccc(NNC(=S)Nc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 18138323 UFHHXJSVRWPGKI-UHFFFAOYSA-N 451.408 2.454 10 20 JECD CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cn1 727615677 PGMKPEDXWGOQBD-KRWDZBQOSA-N 496.568 2.385 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C(=O)N3CCN(C)CC3)ccc2OC)cc1F 731408602 RSUMXYGDXTWFRE-UHFFFAOYSA-N 499.587 2.323 10 20 JECD COC(=O)CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 747557445 MMOIQZUUKPHFGS-UHFFFAOYSA-N 457.552 2.437 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)cc2)C1 917835067 YLTZWTCBWTWQMH-KNQAVFIVSA-N 450.539 2.436 10 20 JECD CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)ccc21 917930843 WRDAPUVBYGVDQX-FQEVSTJZSA-N 470.595 2.166 10 20 JECD COCCn1cc(NC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)cn1 918091740 CVUBHOCGSRRYSN-UHFFFAOYSA-N 461.456 2.196 10 20 JECD COc1cccc(C(=O)NCC(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 918973702 HXWJEZYWDMZQCM-CALCHBBNSA-N 487.528 2.037 10 20 JECD CS(=O)(=O)CCCNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 919887170 DNZIYXXLMYDMFG-LCYFTJDESA-N 477.427 2.201 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1)c1ccc(N2CCOCC2)cc1 920922273 BEJRSGIOVUQWIW-QGZVFWFLSA-N 452.511 2.291 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1778914366 DEVBWGGZSYQOQL-BCHFMIIMSA-N 475.549 2.110 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)nc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787538501 DWMXDCHOUINNBN-QRFRQXIXSA-N 481.940 2.121 10 20 JECD CN(C)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1 1789532190 WPUKKHIOKFRCAS-APTRMMRNSA-N 489.576 2.139 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC(CO)CC3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242955 HCCMBTKPCKQIFW-LXXJZYINSA-N 466.962 2.143 10 20 JECD CCc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)s1 1792217609 CPOSTKPHYYBVMT-DEMFTJLTSA-N 473.551 2.129 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c(F)cccc34)C[C@@H]21 1792218260 OOMOPWGVFBLOSX-XYTPNCCPSA-N 496.495 2.126 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccnc(C(F)F)c1 1794274894 IHWAFNJNDOUBLM-PZPAOMODSA-N 475.448 2.053 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(Br)s1)C2)c1cc(O)nc(O)c1 1796140753 YVBQVZLAOGOFTO-XIRRHLMSSA-N 494.367 2.233 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCCC1)C2 1796749284 CTBWTOVYBSTWKD-KAOXLYBCSA-N 499.656 2.439 10 20 JECD O=C1CCc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)c(O)c(Cl)c3)cc2N1 1799767956 FQBLAOQROVMBSU-VPTLXERWSA-N 485.924 2.153 10 20 JECD O=C(Cn1ccnc1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1805883818 QTVRXXAUXOWTNM-YWZLYKJASA-N 455.902 2.363 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n(C(F)F)n1 1807994498 HFIFHQXYSBFMIW-AUUYWEPGSA-N 472.452 2.421 10 20 JECD CN1CCC(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)CC1 1808465195 RIYCQXVERJIBLH-PXDATVDWSA-N 488.592 2.222 10 20 JECD O=C(CCc1cn[nH]c1)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364401 SVBQDVIRHLPIDB-HNNXBMFYSA-N 477.550 2.204 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc[nH]c2nccc1-2 1817893161 KQLWNVWODXWCCP-OAHLLOKOSA-N 483.579 2.404 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(O)cc2)[nH]n1 1823499968 HVMJYWGAPYIJJJ-HNNXBMFYSA-N 459.553 2.282 10 20 JECD CCC1(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)CCC1 1828244919 WZDWCMOJYJTHJP-LLVKDONJSA-N 452.627 2.496 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(F)(F)C1)CCO2 1829655567 HXQSFCNNKXPERX-RNODOKPDSA-N 474.888 2.257 10 20 JECD O=C(CSc1ncccn1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901297 CTDUWPRRWPAZSQ-MRXNPFEDSA-N 493.680 2.049 10 20 JECD Cc1cc2nc(C(=O)N3CCC(N4CCC(NC(=O)c5cc(O)nc(O)c5)CC4)CC3)[nH]c2cc1C 1834987658 RRUMUPDBXJJYGP-UHFFFAOYSA-N 492.580 2.485 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNc3ccccc31)CCO2 1835723346 JDIFKJPIUPKSAU-MZNJEOGPSA-N 487.940 2.031 10 20 JECD Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)nc1 1839432641 UISRYJBSMARBSD-DEOSSOPVSA-N 489.956 2.157 10 20 JECD Cc1cc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cc2c[nH]nc12 1843442614 WKUQRHBKYWBRAG-UHFFFAOYSA-N 456.506 2.481 10 20 JECD O=C1CC(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)=Cc2ccccc2N1 1844642214 CEFAWIGIYKMFEE-UHFFFAOYSA-N 483.528 2.409 10 20 JECD CS(=O)(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)cc1F 1845502458 ALSQPGDOTFEEKN-UHFFFAOYSA-N 482.917 2.425 10 20 JECD CCOCCC(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1846681216 ZDJGOHJAKJCMGR-SFHVURJKSA-N 491.585 2.164 10 20 JECD COc1cc(F)ccc1CC(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1847117940 NFWCNSBJGLIFDL-UHFFFAOYSA-N 464.497 2.373 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(c2ccccc2)C(=O)C1 1848065264 GQAFPOFOJCFLTH-HJOGWXRNSA-N 471.561 2.038 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CCc3c(C)nc4cc(C)nn4c3C)CC2)cc1 26199030 XWJQPKHEVTXVMM-UHFFFAOYSA-N 465.554 2.488 10 20 JECD COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 819427964 WZBCIILDAWHXDG-QGZVFWFLSA-N 463.508 2.335 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 913608990 RJBVPBUZWCXXQU-FQEVSTJZSA-N 474.631 2.110 10 20 JECD C[C@H]1CN(Cc2ccc(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cc2)C[C@@H](C)O1 918338102 SLMUXFZEHZSQDX-BGYRXZFFSA-N 471.623 2.461 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)cc2F)C[C@H](C)O1 919526697 ZDTAGRWPAWDQSE-IRXDYDNUSA-N 486.544 2.477 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3cccnc3N3CCOCC3)CC2)cc1 919777687 QKXGZYCOAPSARD-UHFFFAOYSA-N 454.575 2.261 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 920927411 XJJMQYOCFLOWBG-FQEVSTJZSA-N 466.582 2.214 10 20 JECD COCCN1C(=O)/C(=C\Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)C(=O)NC1=S 920979076 TVFLMKNCSAABDA-LSVCFVEQSA-N 452.536 2.363 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)C1=NO[C@H](c2ccccc2)C1 1778789832 XLQPBHGDXKXUNE-WZOHSFFVSA-N 480.521 2.138 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007624 ITFFTYGUSWLFKD-QFIPXVFZSA-N 491.884 2.431 10 20 JECD CC(C)C1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)CCC1 1783246786 IEEVFWVXBNYPKX-IIBYNOLFSA-N 467.657 2.187 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1784491020 GMLBIONNRPWMOY-FPTDNZKUSA-N 461.902 2.057 10 20 JECD CN1CCC(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)CC1 1785879622 DSSNTSFDTIVQCK-UHFFFAOYSA-N 460.625 2.323 10 20 JECD O=C1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CCC3)cc2)CN1 1785897124 NKZUWYFAXJMRRS-KRWDZBQOSA-N 473.533 2.440 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(C(F)F)c3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537227 GNRORMMJIGHGDV-MDKPJZGXSA-N 497.502 2.405 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCCn3cccc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539792 VECXCEWQOGYPHO-SSPYTLHUSA-N 491.592 2.431 10 20 JECD Cc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)s1 1790243517 TVMIBRAGVHRICW-RBOXIYTFSA-N 451.932 2.423 10 20 JECD COc1cc(OC)c(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)c1F 1796600396 FDYCFXJXCZIOHI-CLLJXQQHSA-N 463.437 2.354 10 20 JECD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2)N1CSCSC1 1798523863 FPJAVMKMPDTHMI-ZAWLATJESA-N 487.651 2.461 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(F)ccc1F 1804107363 XZHYRPHOWNTENZ-QDMKHBRRSA-N 453.536 2.006 10 20 JECD O=C(CN1CCCC1=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1806924555 UJJLYDZNVZPRTD-QVKFZJNVSA-N 472.929 2.088 10 20 JECD CCOC(=O)N1CCC(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)CC1 1808001641 PKNUUSDNWZXQFE-GCJKJVERSA-N 497.552 2.076 10 20 JECD O=C(Cc1cnc[nH]1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1808257216 ZDBJLWROWNVFIP-VLIAUNLRSA-N 455.902 2.432 10 20 JECD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)on1 1808463282 BLXBXBBWWIAVJN-KBMIEXCESA-N 486.532 2.419 10 20 JECD C[C@@H]1CCc2c(C(=O)NC[C@H]3CCN(C(=O)CN4C(=O)CSC4=S)[C@H]3c3cccnc3)n[nH]c21 1809258593 XFUFCKOHMDTQJI-VWLHBSKXSA-N 498.634 2.034 10 20 JECD Cn1ccc(=O)cc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811370597 GZRMJALKQQXESC-BTYIYWSLSA-N 482.924 2.478 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811796235 FSXCAYRFNDGZBC-MUKKUYKPSA-N 495.985 2.147 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](O)CC2)[C@@H]1c1cccnc1 1813192719 MJQROGSJQNOZTM-BSTNJKIBSA-N 481.549 2.469 10 20 JECD O=C(COc1ccc(O)cc1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1814692579 PAHCQOMBCUESKK-INIZCTEOSA-N 489.579 2.047 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(C(F)F)no3)sc2C1)c1cc(O)nc(O)c1 1815828317 HJWANRZTXAZBHW-MRVPVSSYSA-N 451.411 2.415 10 20 JECD CC(=O)Nc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)n1 1816087043 JRKCHLWMIYHAMI-MRXNPFEDSA-N 465.470 2.189 10 20 JECD CN(CC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)C(=O)OC(C)(C)C 1816722613 RCELGATUOZOCQD-LBPRGKRZSA-N 477.543 2.042 10 20 JECD COc1nccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c1F 1823497669 GZQAFJGEOQHHHS-CYBMUJFWSA-N 492.558 2.119 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccccc3-n3nccn3)sc2C1)c1cc(O)nc(O)c1 1823550092 IRYDGVBBGNCBKZ-CYBMUJFWSA-N 477.506 2.070 10 20 JECD Cc1noc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)n1 1823709037 VXKGMJTZSOGIHO-JTQLQIEISA-N 463.903 2.368 10 20 JECD Cn1cnc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)c1 1826122084 NLRGEQVQEUTQIM-ZLQZBKBYSA-N 454.527 2.484 10 20 JECD Cc1ccoc1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828244777 QGHUFCPVLNMQEX-SNVBAGLBSA-N 450.567 2.131 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cc(F)ccc3s1)CCO2 1836954687 CNQBKMXLVAESGP-QHCPKHFHSA-N 487.509 2.230 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348934 VDSCYFRNIJQISW-HHHXNRCGSA-N 496.608 2.079 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(F)(F)CC3)C2)C1 1840879767 DVOPOBPLPAPLAC-ZGVNINRLSA-N 496.507 2.099 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250589 OMBQPGBNPFFBNH-VVVONTASSA-N 486.569 2.249 10 20 JECD COC(=O)Nc1cc(NC(=O)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)ccc1F 727608546 LKULBKZSZYZAQP-UHFFFAOYSA-N 487.532 2.280 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cc(F)c(S(C)(=O)=O)c(F)c3)cc2F)C[C@@H](C)O1 727613049 XBSABBSBXIIKFJ-BETUJISGSA-N 499.511 2.376 10 20 JECD C[C@@H](OC(=O)Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 728367758 RVEHWWJECBBPNU-CQSZACIVSA-N 492.509 2.222 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3CS(C)(=O)=O)cc2F)C[C@@H](C)O1 746989446 IGZQQEBLFQKLMK-IYBDPMFKSA-N 477.558 2.239 10 20 JECD CC/C(Nc1cccc2c1C(=O)c1ccccc1C2=O)=C1\C(=O)NC(=S)N(CCOC)C1=O 814334905 JRPQPGYHWSQGQO-MNDPQUGUSA-N 463.515 2.428 10 20 JECD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 915778824 RMMLPJUSUCJCDE-UHFFFAOYSA-N 469.567 2.012 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 917134181 PCRXQDOVYNAWAG-UHFFFAOYSA-N 460.600 2.486 10 20 JECD COc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)cc1 918116854 BGQMFAUEFNRMSR-NRFANRHFSA-N 479.581 2.065 10 20 JECD CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Cl 918437598 KKWORXDYHPNYTJ-UHFFFAOYSA-N 462.909 2.055 10 20 JECD O=C(COC(=O)c1cccc(N2CCCC2=O)c1)NCc1ccc(N2CCOCC2)c(F)c1 919009954 OPCUAZNKGQECON-UHFFFAOYSA-N 455.486 2.262 10 20 JECD CC[C@@H](C)NC(=O)CCNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919782285 HMTXVWNUGOBOOH-QGZVFWFLSA-N 457.554 2.046 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NC[C@H](O)COc1cccc(F)c1 919785260 WNDKYJRJCOSJNP-FQEVSTJZSA-N 498.534 2.321 10 20 JECD CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 920193531 DATJRLBIOPOUMY-LJQANCHMSA-N 479.581 2.125 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3cccnc3)[nH]n1)CCO2 1782006975 CYWBQTHAPXXBDA-QHCPKHFHSA-N 483.912 2.294 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc(-c3ccncc3)[nH]n1)CCO2 1782007201 MNKWMQOVMNCBAE-HSZRJFAPSA-N 483.912 2.294 10 20 JECD Cc1ccc(C)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)c1 1782896841 CQXYUXXLSLEAHX-WZONZLPQSA-N 475.636 2.291 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@]3(C2)CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)CCO3)c(C)n1 1784294912 UNXDJZYDNMOECT-MHZLTWQESA-N 489.576 2.254 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4cccnn4)C3)C2)cc1 1784459255 PSNXHKPMBPEKKI-AREMUKBSSA-N 475.549 2.407 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4ncc[nH]4)cc3)C2)C1 1785156135 FOGATDCYSUFFEU-AQBQYSGMSA-N 490.516 2.350 10 20 JECD Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1786590882 QEZUUMUCJLFWHD-AOPCHSIOSA-N 482.533 2.184 10 20 JECD COc1cncc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1794331031 ZUGMESIANZSJRJ-QGZGNFAASA-N 467.522 2.491 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cccnc1-c1cccc(F)c1 1796034900 PFRPKAZMXDQDOH-FAQVEIGNSA-N 478.480 2.211 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2ccc(Cl)cc2n1 1797664837 JSECGKRDQBATRH-BTTYYORXSA-N 477.999 2.100 10 20 JECD COc1ncc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1C 1806097904 CTYGSFULWQFVTC-IERDGZPVSA-N 463.494 2.233 10 20 JECD COc1cnc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(F)c1 1807990973 LNSSHXILHVWUDZ-SZNDQCEHSA-N 467.457 2.064 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cccc2[nH]ncc12 1808039102 APGZPKBQEXJSPQ-BTYIYWSLSA-N 494.602 2.138 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cocn2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808466894 CCCMHVHFRPLVEU-HTAPYJJXSA-N 458.478 2.182 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2CCCCC2=O)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811809144 GXBWYMJBXUSIOX-OPAMFIHVSA-N 486.956 2.478 10 20 JECD CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)C(=O)c1ccccc1 1815087932 GDVRGILARVQELS-GOSISDBHSA-N 478.509 2.294 10 20 JECD O=C(CCc1ccc(F)nc1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815837976 QHSCYFLHTYUFNS-HNNXBMFYSA-N 490.586 2.429 10 20 JECD Cc1cc2nnc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)c(C)n2n1 1828148770 PINIOJOOFMVKON-GOSISDBHSA-N 479.541 2.094 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)CNC(=O)C(F)(F)F)CC1 1831900274 MIRHRCVZDZHSBV-YERXGYGTSA-N 499.486 2.115 10 20 JECD O=C(CCc1ccc[nH]1)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1834831455 ZGVVXRAGHMQNIK-XBXARRHUSA-N 482.581 2.349 10 20 JECD Cn1cccc1C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837389766 NKVBTRPIQPKIAR-UHFFFAOYSA-N 477.565 2.430 10 20 JECD COc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1OC 1838030138 BPAIEOYMDULPDZ-UHFFFAOYSA-N 485.537 2.436 10 20 JECD CCc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839431875 SENSVJMCVYLMOC-HSZRJFAPSA-N 475.929 2.092 10 20 JECD O=C(c1cc(F)cnc1Cl)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441558 GCJQKJBLRLAKSK-UHFFFAOYSA-N 455.877 2.484 10 20 JECD Cc1c(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)nc2ccccn12 1843441846 WRNBFNOXYDLAAN-UHFFFAOYSA-N 456.506 2.253 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc(Cl)c(F)cc2F)C1 1845300927 CWEIPDMIQTUTDR-UHFFFAOYSA-N 459.927 2.296 10 20 JECD CCCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 728022263 OQGZKVACFJAPJI-IBGZPJMESA-N 458.584 2.470 10 20 JECD O=C(CN(CCO)c1ccccc1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 748546984 LCORSNBNUGMXLW-MOSHPQCFSA-N 485.587 2.232 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4OC)C3)CC2)cc1 758162114 JBHPTQYDIMYROB-HXUWFJFHSA-N 496.608 2.394 10 20 JECD COCCN1C[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1=O 914662582 UBZUTCUPRUTLEA-KRWDZBQOSA-N 456.495 2.086 10 20 JECD Cc1cc(C(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)c(C)n1-c1ccc2c(c1)OCCO2 915408791 OZIUGNQFPFFZTC-UHFFFAOYSA-N 487.534 2.483 10 20 JECD Cc1cc(C(=O)COC(=O)c2cccnc2N(C)C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 915493882 WGVOTHVDTGKQQX-UHFFFAOYSA-N 456.524 2.242 10 20 JECD O=C(Nc1cccc(Cn2cccnc2=O)c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918295740 FIWZOIOBQOSMFQ-OAQYLSRUSA-N 462.506 2.144 10 20 JECD C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1)n1cncn1 918297263 ONHQGQDUYXMALD-UTKZUKDTSA-N 492.536 2.330 10 20 JECD CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918338123 UEXGFOUJXLWRKH-XMMPIXPASA-N 496.633 2.402 10 20 JECD CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 918463248 KCHGPEKQUYYACY-HXUWFJFHSA-N 479.581 2.125 10 20 JECD CCc1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)co1 1778127771 MDQOYXLZFOTXOI-CJFMBICVSA-N 479.537 2.157 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ncsc1Br 1778135616 MCBMRESWHFKWJP-CWTRNNRKSA-N 497.371 2.153 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccnc(Br)c1 1779612534 NWRZMYKHDRZJHF-QVKFZJNVSA-N 491.342 2.092 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)on1 1780377036 NCMCPVQUQXDZDY-DOHLAZSCSA-N 457.483 2.072 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1782009658 YIEIMZFXSSNLFP-YBEMNCNDSA-N 497.935 2.105 10 20 JECD COc1cccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c1C 1782052691 SSZCTUAFBCQBLJ-CJFMBICVSA-N 469.538 2.180 10 20 JECD CC(C)N[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)C(C)C 1796931763 JDZNZYWOYGAZCZ-RKCFAAOBSA-N 453.587 2.440 10 20 JECD COC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1 1799429589 IFEAZWATRWSXAW-CCWDJLKJSA-N 489.912 2.447 10 20 JECD Cc1cccc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)n1 1799766940 JMOUZOLRKOIGPO-CTSHNCOSSA-N 457.914 2.371 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3occc3c1)C2 1802079653 PEYMBWMVHAQEEZ-JZXYNQJISA-N 464.474 2.466 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccc(Br)c(O)c1 1804335715 GIHUYNQSQFPFEN-CLLJXQQHSA-N 498.424 2.267 10 20 JECD Cc1nnc(CCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)s1 1807993524 JUDISKXWAPCEEO-VFNWGFHPSA-N 468.539 2.000 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cn2cnc3ccccc32)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999131 RLKPPMPCSCUVNM-OSPHWJPCSA-N 472.505 2.257 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](O)CC2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470879 ZSTQGASKTOSZGJ-ACYIZFCASA-N 489.576 2.431 10 20 JECD Cc1nccc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n1 1808763177 HLYLKZQRSHZDCV-NTKDMRAZSA-N 483.532 2.293 10 20 JECD COC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811799815 ZFGINDQOBGVTFO-VBKZILBWSA-N 461.902 2.419 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)C(=O)c2ccco2)[C@H]1c1cccnc1 1814161159 CJAFSOCZYPJMGJ-SAWCTTBHSA-N 477.473 2.394 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817845115 ZXUYEYCZVDMWNO-SUMWQHHRSA-N 451.487 2.417 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccc4nccnc4c3)sc2C1 1818498686 HBUOULIROAEPFX-LBPRGKRZSA-N 498.615 2.172 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1823357578 APQVBCPJLJJFRJ-HNNXBMFYSA-N 474.518 2.437 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cccn2)CC1 1827213240 IVTNMODDPRXYGV-FNQPIQQGSA-N 454.527 2.333 10 20 JECD Cc1ncc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)s1 1832180462 GBDMHKKRDKNXHP-QGZVFWFLSA-N 480.681 2.474 10 20 JECD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1cccs1 1840378479 UQPTTWLGDUCNSL-YZPPATINSA-N 488.562 2.138 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)C(F)F)C1 1842665974 ZTYBVVWEMPPSBR-MRXNPFEDSA-N 452.502 2.173 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3cccc(N4CCCS4(=O)=O)c3)CC2)cc1 28065197 IFJVULYEXYEPHC-UHFFFAOYSA-N 472.611 2.177 10 20 JECD CCCS(=O)(=O)NC1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 108465279 VQQNXMHEOFMNSG-IRXDYDNUSA-N 470.611 2.443 10 20 JECD COc1ccc(CN2C[C@@H](C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2=O)cc1 726621578 NHAMRLGCIWUFHI-IBGZPJMESA-N 455.530 2.460 10 20 JECD CC(C)CN1CCN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1 727239317 UYBYVBLRMRVRHD-NDENLUEZSA-N 490.651 2.006 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NC[C@H](c3cccc(C)c3)N3CCOCC3)CC2)cc1 742940038 QAHOYSXHBYNXTC-AREMUKBSSA-N 481.641 2.498 10 20 JECD CCc1noc(C[C@@]2(O)CCCN(C(=O)c3cc(NS(=O)(=O)c4cccs4)ccc3O)C2)n1 856710959 XKUKJSWMKYLXDZ-NRFANRHFSA-N 492.579 2.410 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(S(=O)(=O)N2CCCC2)o1 919971587 RJDBUIIHDBTIBQ-UHFFFAOYSA-N 451.520 2.094 10 20 JECD CN(C)C(=O)CN(C)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 920432145 LPWHQQGNZJQPON-MDWZMJQESA-N 456.387 2.197 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NCCc2ccc(OC(F)(F)F)cc2)c1 920637423 DLUDCQVBPPNYNI-UHFFFAOYSA-N 476.429 2.178 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3ncccc3C(F)(F)F)C2)C1 1779714304 RALAODJTOHIFJF-UKKYDJSUSA-N 493.438 2.374 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3c(F)cccc3F)C2)C1 1780498047 PYPPQGVWTNRNGJ-BVBLWJPBSA-N 460.433 2.239 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(F)(F)c2ccco2)C1 1781520745 VWDQFHGCXDIZQU-JLTOFOAXSA-N 451.426 2.005 10 20 JECD O=C(c1ccc(OCCCO)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007559 TZSWJASXEBXSJC-XMMPIXPASA-N 490.940 2.270 10 20 JECD Cc1ccc(C)c(OCC(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785503288 GTTVWXHAOGLYRO-AQBQYSGMSA-N 482.533 2.342 10 20 JECD Cc1ccc(NCCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)c(C)c1 1787293751 MKFPLACQPXEHDO-CUWPLCDZSA-N 468.554 2.205 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(F)c(F)ccc4c3)C[C@@H]21)c1cc(O)nc(O)c1 1787294121 AQXKOGBZPKBLSM-OWQGQXMQSA-N 484.459 2.226 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3Cl)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539809 XPZBWZHVKCWLSE-XERREHJYSA-N 481.940 2.121 10 20 JECD O=C(Cc1cc(F)ccc1Cl)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1793738520 ZYLBZHVTDOIKEP-XHNJZIHCSA-N 498.942 2.404 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(F)cc1F 1793923593 ZHFWACGOBWJKAV-KOTZLPFRSA-N 465.547 2.477 10 20 JECD O=C(c1cc(O)nc(O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccc(Cl)cc2)CC1 1800398418 RXFQMIIISRGXCM-YVWYUNDQSA-N 457.914 2.081 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(F)CCCC=C1F)C2 1802082424 KSVRWTVXUXSBKY-JZZCHEDGSA-N 464.465 2.152 10 20 JECD Cn1cc(CCC(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cn1 1807427140 NQLRSKVBRGTBDB-QFQXNSOFSA-N 499.575 2.247 10 20 JECD COc1cccc(CCC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n1 1807994228 TUEBLIXFCPGHIM-XDHUDOTRSA-N 477.521 2.244 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCc2cc(F)ccn2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994727 YHPISKHCLIOYMT-HJPURHCSSA-N 465.485 2.374 10 20 JECD Cc1c(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)nc2ccccn12 1809083610 OLDDTJSBBLVKGM-SBUREZEXSA-N 472.505 2.477 10 20 JECD O=C(Cc1ccc2c(c1)CCO2)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812823769 FPDLKSNDINSNRA-KBMIEXCESA-N 474.517 2.385 10 20 JECD CCC1(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)COC1 1814166062 NGWHDTJZYKBGIV-HQWUWBFJSA-N 467.522 2.344 10 20 JECD CCc1noc(C)c1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814188937 GAMHJFSGFNVPQE-MGPUTAFESA-N 487.607 2.120 10 20 JECD COCCn1nccc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1817595004 UPOMNKDMQBSBOK-UFZAZABTSA-N 499.549 2.042 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848580 QUFVFNHUBQYMKB-KSSFIOAISA-N 478.509 2.340 10 20 JECD CN1CCCC[C@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1822600834 MGRPOAOMDVIQFM-DGNXDGCUSA-N 472.567 2.370 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)ncn1)CC2)c1cc(O)c(O)c(Cl)c1 1823708243 OPJMKIMIMGTESQ-SECBINFHSA-N 461.887 2.243 10 20 JECD CN(C)C(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1823882389 SDQXZLLKBDXQIK-QGZVFWFLSA-N 466.966 2.256 10 20 JECD O=C(c1ccc[n+]([O-])c1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877185 XKDDFFHQZLHSNX-JCOOBLOPSA-N 467.522 2.384 10 20 JECD O=C(/C=C/c1ccoc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432467 PNBHAKNYSCFQHN-BIWRPXHWSA-N 462.886 2.128 10 20 JECD O=C(c1cc2c[nH]nc2cc1Br)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250412 WAVNTOLWGCRPHB-UHFFFAOYSA-N 472.299 2.262 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O 1847567033 VBQXTFJBEWDRGR-IWVMLFKJSA-N 475.542 2.179 10 20 JECD CC1CCC(NC(=O)CN2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)CC1 728396792 YYFIKHUEHIAKST-UHFFFAOYSA-N 489.636 2.309 10 20 JECD C[C@@H](NC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1)c1ccc(N2CCOCC2)cc1 728597096 KKJKBQBPFOTSIZ-HXUWFJFHSA-N 457.619 2.360 10 20 JECD C[C@@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)S(=O)(=O)c1ccc(F)cc1 729177838 FDXIRECYHQOTEU-WMZOPIPTSA-N 461.559 2.396 10 20 JECD CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)CC2)cc1 746984922 HGSOVUITIDHROR-UHFFFAOYSA-N 470.595 2.488 10 20 JECD Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)sc2n1 802657899 CQBFZEXOWHRYAD-ZDUSSCGKSA-N 477.568 2.155 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)n2)o1 874095044 OLMWJBAQJZLPEW-UHFFFAOYSA-N 455.539 2.244 10 20 JECD O=C(NCc1ccccc1)NC1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCCC1 916677026 ZYTLKPQAYRSLMC-UHFFFAOYSA-N 484.622 2.350 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2F)C[C@@H](C)O1 917170539 KJDXWFRAABPDNV-OKILXGFUSA-N 470.457 2.260 10 20 JECD COCCNC(=O)CSc1ccccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 917706679 HGGCDSNIPLRVFL-UHFFFAOYSA-N 461.559 2.447 10 20 JECD COc1ccc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1C(N)=O 917918321 NZNGPABAKOHPBH-OKILXGFUSA-N 451.520 2.025 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(N4CCCS4(=O)=O)c3)cc2)C1 918035313 QHNNLEFCIPIXHD-GOSISDBHSA-N 471.583 2.250 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H](CC(C)C)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)nc12 918807582 IHBFXXXFBLLAAA-BQFCYCMXSA-N 484.509 2.021 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2)cc1 1115960921 CKMWVCHNLCOKBO-UHFFFAOYSA-N 494.620 2.497 10 20 JECD O=C(c1ccc2c(c1)OCCO2)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005394 CKISGOQHDHFTFA-HSZRJFAPSA-N 474.897 2.280 10 20 JECD CC(C)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)CC1 1784996871 FYCISJBAFYMSEH-MDKPJZGXSA-N 480.005 2.465 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cncc(C(F)(F)F)c3)C[C@@H]21)c1cc(O)nc(O)c1 1787294974 IXXWHJWHWUFLCV-WBAXXEDZSA-N 494.470 2.133 10 20 JECD CC(C)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)on1 1789364256 KTULAZCIJZVSHN-ZJBJCVSYSA-N 479.537 2.184 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1c(F)ccc(Cl)c1F 1792040686 ZGODXQTUDCCHGV-WBIUFABUSA-N 467.856 2.332 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)CN3CCCCC3)CCC2)cc1 1792313819 JUJZSQADQGCFOL-UHFFFAOYSA-N 460.625 2.467 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)nc1F)C1=NN(c2ccccc2)C(=O)C1 1792418781 NLZRGJDDYYKAPY-RBVVOMGSSA-N 453.449 2.405 10 20 JECD COC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c1 1799769239 UTXAJPJUTROTOT-CCWDJLKJSA-N 489.912 2.447 10 20 JECD O=Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)s1 1807380980 BGHCGRZJPFSKBO-JLTOFOAXSA-N 452.492 2.395 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnsn2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808464122 JIMLXKHGCOWSRZ-IIBYNOLFSA-N 475.534 2.046 10 20 JECD Cc1nc(C)c(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1814186355 NYXOJAKYKQOFLW-QAPCUYQASA-N 489.648 2.335 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C1CCN(c3ccccn3)CC1)CC2)c1cc(O)nc(O)c1 1816727124 FQEMDLBDHWFJKF-INIZCTEOSA-N 494.577 2.487 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1818121762 LEYJSKUYPVCXNB-FOIQADDNSA-N 479.541 2.062 10 20 JECD Cn1cc(F)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1818388809 QVPVEOVVBKBABJ-ZDUSSCGKSA-N 464.548 2.054 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)[C@@H]1[C@H]2COC[C@H]21 1823063351 QFMNTNHZZDQZEA-HQQZLXMTSA-N 454.483 2.124 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H]2C[C@H](O)CN2)CC3)cc1 1823440112 NAMPNJXOAJRBOL-CUWPLCDZSA-N 479.606 2.499 10 20 JECD O=C(Cn1ccccc1=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715995 YLTRQGHYRZVQGA-HSZRJFAPSA-N 489.576 2.261 10 20 JECD Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c(F)c1 1834987128 CXVRKZICAKSXEZ-UHFFFAOYSA-N 456.518 2.439 10 20 JECD COc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1837722743 XQWBEEDKAXZJBD-UHFFFAOYSA-N 469.538 2.356 10 20 JECD COc1ccccc1OCC(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1841187140 XTAPXPMJTVNEGQ-UHFFFAOYSA-N 462.506 2.070 10 20 JECD CO/C=C(\C)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1844180163 WKLSMUXANCFQLP-BBKFTCMMSA-N 472.586 2.458 10 20 JECD CC(C)[C@@H](CC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)NC(=O)OC(C)(C)C 1846294790 VJVHCBDIUXCEAH-MRXNPFEDSA-N 462.547 2.249 10 20 JECD O=C(O)CN1C(=O)/C(=C\c2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2)SC1=S 1601050 JXFGHXUVRFXDAH-YDWXAUTNSA-N 480.570 2.258 10 20 JECD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccnn3C)cc2)cc1[N+](=O)[O-] 727350526 PMCVIUBZGDNBRS-UHFFFAOYSA-N 451.486 2.238 10 20 JECD COCCOc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 727614998 VOQVPVZYKRUDKQ-UHFFFAOYSA-N 459.518 2.315 10 20 JECD Cc1cc(C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 728704375 GWFBUMUFARBBNU-UHFFFAOYSA-N 482.316 2.492 10 20 JECD O=C(COC(=O)CCCc1ccc2c(c1)CC(=O)N2)NCc1ccc(N2CCOCC2)c(F)c1 729760709 YUVBSTKSSJIERO-UHFFFAOYSA-N 469.513 2.339 10 20 JECD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)n2)c(F)c1 817992285 GBFLABPLMRUJGC-UHFFFAOYSA-N 470.529 2.356 10 20 JECD Cc1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc(S(=O)(=O)N(C)C)c1C 917834379 XNDSGMMKUNWVID-IBGZPJMESA-N 472.611 2.185 10 20 JECD O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 917897942 KQCGIHFEIIQCFM-UHFFFAOYSA-N 455.539 2.225 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@H](c3ccccc3)N3CCOCC3)cc2)C1 918004797 NIMXVCMGHXYASO-ISKFKSNPSA-N 465.598 2.261 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)cc2F)C[C@H](C)O1 918222365 VRRDLGBRVNKJLN-PMACEKPBSA-N 475.609 2.279 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CN3C(=O)CCOc4ccccc43)cc2F)C[C@@H](C)O1 919012083 VAKOIJQZXMAVDX-HDICACEKSA-N 499.539 2.414 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)nc12 919070041 QKLWFMPHCPHQBT-MRXNPFEDSA-N 464.478 2.197 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cc3cnn(-c4ccccc4)n3)cc2F)C[C@H](C)O1 919337007 JJMOQBNWDKTBBT-ROUUACIJSA-N 481.528 2.422 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(N4CCOCC4)cc3)cc2)C1 919792325 XAJSUGCPPCVPAY-NRFANRHFSA-N 451.571 2.224 10 20 JECD O=C(CS[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1779088199 LCWSPDZGQBTJBV-WIYYLYMNSA-N 470.975 2.455 10 20 JECD CCOc1ncc(Cl)cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1779807116 RDJGWHKYGOMJAO-UZUQRXQVSA-N 490.944 2.381 10 20 JECD CN(C)C(=O)NCC(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1785930256 YOAHLNGBQGOWDU-UHFFFAOYSA-N 476.537 2.185 10 20 JECD Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)nc2ccccn12 1787859762 ULTCZGVFSCLQIU-AIONWGCTSA-N 492.532 2.066 10 20 JECD O=C(Cc1ccc2c(c1)CCO2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1800690177 NPUUMYBCLMFDKU-FAQVEIGNSA-N 472.925 2.132 10 20 JECD C[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CC=CCC1 1801536551 LRFBTLJSWAHLBV-UZIDKSDLSA-N 450.539 2.115 10 20 JECD O=C(CCc1c[nH]c2ncccc12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1802066758 WJQLCCHAPZUEQD-VPTLXERWSA-N 484.940 2.464 10 20 JECD CC(=O)C[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808470643 XJZWGBYYNPFNHH-WPSZSDGUSA-N 475.549 2.496 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccc2c1OCC2 1809002578 RYAWMCAARBOJNG-HTAPYJJXSA-N 460.490 2.456 10 20 JECD O=C(CC1(O)CCC1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813639428 MMLPFMHSXBOJIX-NTPDFONASA-N 467.522 2.223 10 20 JECD Cc1nccnc1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814163511 FUELCUOJEKRKEO-IAADTXTGSA-N 475.505 2.330 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cc(O)ccc2F)[C@H]1c1cccnc1 1814190289 WBYZVUSIFPMCEE-VLIAUNLRSA-N 488.566 2.106 10 20 JECD CCN(CC)C[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1821683079 RXVSPAJEXZSHBC-ZBFHGGJFSA-N 480.660 2.240 10 20 JECD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)n1cncn1 1822765407 DKEFSANQIFFJFV-DNVCBOLYSA-N 475.513 2.047 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823501163 ONOFDPVFNUGQME-HIFRSBDPSA-N 488.595 2.125 10 20 JECD O=C(CNC(=O)C(F)(F)F)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823713425 LWYRHIOUOGHAGM-QMMMGPOBSA-N 492.863 2.112 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)COc2ccc(O)cc2)CC1 1824006786 FCNAXKQXSDPOQE-LJQANCHMSA-N 491.635 2.251 10 20 JECD Nc1n[nH]c(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)n1 1828805040 MCRPRARUNMCHNT-INIZCTEOSA-N 476.965 2.318 10 20 JECD O=C(CC(F)(F)C(=O)O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838080248 UCBHFWYJSWQIGB-UHFFFAOYSA-N 490.887 2.473 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)cc(F)c1)CCO2 1839003168 RWDQEFQUDXBWOO-JOCHJYFZSA-N 482.867 2.413 10 20 JECD O=C(/C=C/c1ccoc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432469 PNBHAKNYSCFQHN-RDUCDJESSA-N 462.886 2.128 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1841767136 LGPIFRKYUZYINP-BVBGJJFLSA-N 473.526 2.029 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2ccno2)C1 1842438087 XNVDGQXSARDMDY-GOSISDBHSA-N 469.542 2.210 10 20 JECD O=C1CC(C(=O)N2CCCC23CN(C(=O)C2(c4ccc(O)cc4)CC2)C3)=NN1c1ccccc1 1843440794 ANSLCFRQDBFNSF-UHFFFAOYSA-N 458.518 2.420 10 20 JECD Cc1nccnc1C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1844558209 WNCZQWBECCDMBZ-HXUWFJFHSA-N 494.596 2.320 10 20 JECD Cc1noc(-c2ccccc2)c1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054047 FDEJUXPGCSONCF-UHFFFAOYSA-N 470.576 2.327 10 20 JECD CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)C(C)(C)O 1847091509 PQAXJACUDGMDHR-QGZVFWFLSA-N 497.976 2.232 10 20 JECD C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)C2=O 27572599 KHMFVHCFPVMGBR-SSOJOUAXSA-N 472.586 2.391 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(CCN(C)Cc4ccccc4)CC3)CC2)cc1 729607754 WYQHRJOWBIZPKK-UHFFFAOYSA-N 494.684 2.276 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCc3ccc(CN4CCN(C)CC4)cc3)CC2)cc1 742940440 USMUESYMLNCAML-UHFFFAOYSA-N 480.657 2.064 10 20 JECD C[C@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)N1CCC[C@H](C(N)=O)C1 823027631 LEOIGQOYMSJNGT-STQMWFEESA-N 468.893 2.385 10 20 JECD CN1CCN(S(=O)(=O)c2ccc(NCc3ccc(N4CCOCC4)c(F)c3)c([N+](=O)[O-])c2)CC1 917087219 UYVXUMOTQVKRMZ-UHFFFAOYSA-N 493.561 2.119 10 20 JECD O=C(CN1C(=O)CCC1=O)N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 918179868 HTPGMUOUFBWMKV-UHFFFAOYSA-N 460.328 2.101 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc1 918429557 KSNAHFFLIXKENN-UHFFFAOYSA-N 471.583 2.258 10 20 JECD O=C(COC(=O)c1nc(N2CCCC2)ncc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 919344423 DFDOFKNGBJQGHM-UHFFFAOYSA-N 477.924 2.179 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 919699670 VTPSDKKCUUMGMB-QAPCUYQASA-N 480.466 2.016 10 20 JECD O=C(CNC(=O)c1cccs1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919761549 IWCFNCAVEXAQQP-UHFFFAOYSA-N 454.531 2.050 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@H]1CCN2CCCC[C@@H]12 919782619 BIESXLJXKSKFIT-UNMCSNQZSA-N 453.566 2.368 10 20 JECD CON(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)ccc1Cl 919877844 DYUNCEZFTYQLPM-UHFFFAOYSA-N 487.987 2.009 10 20 JECD O=C(COC(=O)[C@H]1CCCN(CC(F)(F)F)C1)NCc1ccc(N2CCOCC2)c(F)c1 920646945 IXLOUBNSDJCTNG-INIZCTEOSA-N 461.456 2.096 10 20 JECD COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 920888665 WALFBVLXFGCKKL-SFHVURJKSA-N 461.584 2.247 10 20 JECD O=C(Cc1cccc(Cl)n1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005182 XVKXQTKLXHFNEP-OAQYLSRUSA-N 466.321 2.486 10 20 JECD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008179 WOYOIDNEZZFEGY-WAIKUNEKSA-N 497.976 2.498 10 20 JECD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccc(O)cc1 1785510417 ZOHSYPGPKMUAEA-CESDORHLSA-N 468.506 2.156 10 20 JECD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccc(O)cc1 1785510420 ZOHSYPGPKMUAEA-RPNGFCFTSA-N 468.506 2.156 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cnccc3c1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479762 QVWAOIDSZVXICO-GQEURGSBSA-N 483.528 2.231 10 20 JECD CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796602366 AGHDQEFYTBFUPB-YVSFHVDLSA-N 472.542 2.002 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(O)nn2)cc1)c1cc(O)nc(O)c1 1800816183 HCVNNFSZOYKSBX-BCDXTJNWSA-N 461.478 2.221 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCCCC2=O)cc1 1800893477 CZFQXRWKRBJEQU-MOOYMSSBSA-N 478.593 2.310 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(F)(F)CC1)C2 1802079172 VOMWDKYGDOVEER-QAHNQGDTSA-N 466.481 2.232 10 20 JECD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)C(=O)c1ccccc1 1804283415 UWJPEUDXQRLVKY-WNOMTWJSSA-N 479.533 2.227 10 20 JECD CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804339827 ACNIYPKZVDDJCS-FZKCQIBNSA-N 498.671 2.178 10 20 JECD COc1cccc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1806553852 ZAPJJGLQCSNZOR-HOYKHHGWSA-N 462.506 2.459 10 20 JECD Nc1ncc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)s1 1807277315 OHBQXXQKYJMGRS-CVCWVKEYSA-N 481.534 2.270 10 20 JECD Cc1ncc(C(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)cn1 1807923468 QPBSHMOYJCYEGX-UHFFFAOYSA-N 460.538 2.423 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnn(-c3cccnc3)c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991266 OSLPPVSCXKKSFW-SBUREZEXSA-N 485.504 2.102 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cn3ccccc3n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995134 CJPLYABFYMVSHX-AOMKIAJQSA-N 458.478 2.169 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1O 1807998266 CCUVSIHLKHAFLY-SBUREZEXSA-N 491.504 2.185 10 20 JECD COc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] 1813951949 NMVDONFWFADISL-AOMKIAJQSA-N 493.476 2.438 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)CCCc2ccncc2)[C@H]1c1cccnc1 1814184924 GYYZYYOBMSGLTI-XXBNENTESA-N 497.646 2.366 10 20 JECD CO[C@H](C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccc1 1814186806 XMKSABOBBLLRBL-COPCDDAFSA-N 498.630 2.335 10 20 JECD CNc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1814186852 YRCIGGYPTVCYEV-UWJYYQICSA-N 483.619 2.303 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc(F)nc1F 1814335117 CAFXVSUGQXIAKU-LBPRGKRZSA-N 480.522 2.249 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720386 PRGWJOVBMPOXOM-GXTWGEPZSA-N 489.554 2.185 10 20 JECD CC(=O)N[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)C(C)(C)C 1817843421 NAMHRZWXVVEUEB-HNAYVOBHSA-N 458.519 2.073 10 20 JECD O=C(CN1CCCCC1=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1822306214 XHVUERSNQMNCAV-SYJIQKIWSA-N 483.525 2.245 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C(F)(F)Cl)n[nH]1 1822571994 JBGWMNYWTPCAJV-VIFPVBQESA-N 451.908 2.094 10 20 JECD Cn1nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)cc1O 1823707866 DVNQCMAASQXYQE-VIFPVBQESA-N 463.903 2.186 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2CCCCO2)CC1 1824910734 IGASBQNXNPETLY-ROUUACIJSA-N 467.657 2.426 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2[nH]nc3ncccc23)CC1 1827490526 NQAULEOEJDEKHT-QGZVFWFLSA-N 450.499 2.311 10 20 JECD COCCn1nccc1C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828198430 CWBPFUMTNRHDOP-RRFAQUSLSA-N 499.549 2.042 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c3cnccc13)CC2 1828244573 KGNAKSKYQSXBST-SNVBAGLBSA-N 486.604 2.106 10 20 JECD CN(C)C(=O)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830736256 AVTDBHPZBKURCN-KRWDZBQOSA-N 466.966 2.256 10 20 JECD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)n1cncn1 1832882863 TYHBEOFRALLVOA-IESGORFISA-N 469.542 2.289 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(Cl)ccn3)CC2)CC1)c1cc(O)nc(O)c1 1834988742 KLNCVZRJTBWJPA-UHFFFAOYSA-N 459.934 2.040 10 20 JECD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)N1C[C@H]2C[C@H]2C1 1838369987 IHXHFQQXPKRROV-ZSPWKAPPSA-N 499.608 2.155 10 20 JECD COc1ccc(OC)c(CCCC(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)c1 1843250493 GKNGOUIVBILMCJ-UHFFFAOYSA-N 455.511 2.350 10 20 JECD CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)CC1 1845398583 DTJHTBYFMMAGJM-UHFFFAOYSA-N 477.609 2.075 10 20 JECD CCN(CC)[C@@H](C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2)c1ccccc1 1845840873 JOHFTOVWAXBALD-HXUWFJFHSA-N 474.652 2.133 10 20 JECD COc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1846802987 APUQQEMEDYCUBJ-UHFFFAOYSA-N 450.470 2.444 10 20 JECD CC(C)c1nn2ccccc2c1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056559 GQVOLOZRMDVCDK-UHFFFAOYSA-N 471.608 2.135 10 20 JECD Cn1c(=O)n(CC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc21 24116429 HHXFIYNHNAQYAL-UHFFFAOYSA-N 469.453 2.297 10 20 JECD CC(=O)N[C@@H](CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1c(F)cccc1F 727372074 WNTDPRRBPMJXJO-FQEVSTJZSA-N 465.522 2.083 10 20 JECD CCCS(=O)(=O)Nc1ccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 728106728 GNFRXLVKADAOEL-UHFFFAOYSA-N 493.557 2.287 10 20 JECD COC(=O)[C@H](F)C(Nc1ccc(Cl)cc1C(=O)c1ccccc1F)=C1C(=O)NC(=S)NC1=O 814330263 NUQPLVUZCOBTNW-OAHLLOKOSA-N 493.875 2.418 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)cc2F)C[C@@H](C)O1 918288344 UQQQQGBLVDOAOT-ZIAGYGMSSA-N 456.474 2.025 10 20 JECD CCN1CCN(CC(=O)OCC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)C(=O)C1=O 919145812 FZYUVQIMRBQCFY-UHFFFAOYSA-N 457.552 2.233 10 20 JECD Cc1csc(=O)n1CCC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919699560 SBCWAJZJSCBOMI-UHFFFAOYSA-N 456.547 2.180 10 20 JECD CCOC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919783766 MGIWJDVRGYODML-IBGZPJMESA-N 470.549 2.427 10 20 JECD Cc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(OCC(=O)N(C)C)c1 919910206 GHSUTICENLCDBC-LJQANCHMSA-N 467.570 2.485 10 20 JECD O=C1CCc2cc(OC[C@@H](O)CNC(=O)NCc3ccc(N4CCSCC4)cc3)ccc2N1 920812225 MRXKNXZUQOAPGZ-FQEVSTJZSA-N 470.595 2.364 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1778947322 UPZKRFKBHSBYEA-NRFANRHFSA-N 492.319 2.205 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cccnc3-c3ccc(F)cc3)C2)C1 1780349186 MGWNQSWKMQUYKO-VWLOTQADSA-N 478.480 2.451 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCNC2=N)C3)cc1 1780988248 VJFFJLHQIRMUBA-YIXXDRMTSA-N 492.624 2.062 10 20 JECD COC(=O)C1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)CC1 1781755761 SQXXNTPPTUKYGA-RUZDIDTESA-N 465.550 2.491 10 20 JECD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)[S@](=O)c1ccccc1 1782009613 XNWASCJMFHPDBQ-JYKRTRMWSA-N 492.981 2.391 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(Cl)c3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242177 RUKANWADYAXAIV-NKFCBESUSA-N 482.320 2.412 10 20 JECD COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)c(O)c1 1796933160 VQZZMXMFVSYPDG-VBUUOAMHSA-N 462.506 2.446 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C(F)(F)F)n1)C2 1802080472 PHYIMCXQEVCQRN-BTRCDTFPSA-N 493.438 2.134 10 20 JECD CC(=O)c1cc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n[nH]1 1805262481 BPXLDDKWCOXPLN-CJOSSSAMSA-N 491.504 2.157 10 20 JECD CN(C)c1ncc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)o1 1805345638 HPNCHOLLFHGEDW-VACSHPSYSA-N 493.520 2.285 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)[C@@H]1CNc2ccccc21 1807177805 IKILEUGAJYDBDH-AQOAWAETSA-N 495.630 2.157 10 20 JECD Cc1cnoc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808469159 IMWPFFLWUGFAHG-AVRDEDQJSA-N 472.505 2.491 10 20 JECD N[C@@H](C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)C1)c1ccccn1 1809800173 XFUCRNQCRCQZRI-HSTAZWAASA-N 466.538 2.143 10 20 JECD CN(C)c1ncc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)o1 1814163016 VDCWKLXWAKBRQN-SAWCTTBHSA-N 493.520 2.285 10 20 JECD CCc1nn(C)c(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1Cl 1816721215 HNGSKOOFGBCEJX-JTQLQIEISA-N 476.946 2.438 10 20 JECD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816729956 XHNANGZNENHFRS-GFCCVEGCSA-N 498.521 2.463 10 20 JECD CC[S@](=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362220 QWQNIXGZKOGKRB-UUBFPDNSSA-N 487.607 2.007 10 20 JECD O=C(c1cccn2cncc12)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902708 RFJAHNLDABFFEG-SFHVURJKSA-N 485.635 2.428 10 20 JECD COc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c(C)c1 1834988930 VTDBDPMEXDWZAR-UHFFFAOYSA-N 468.554 2.309 10 20 JECD Cc1cc(Cl)c(Cl)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836418914 GUYSAAIZOYZLSK-QFIPXVFZSA-N 496.347 2.492 10 20 JECD CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1839348490 CIKDDXMZGGTDFE-MHZLTWQESA-N 496.608 2.033 10 20 JECD COCCCC(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1841265187 ZXZLYXRKSYFZNM-SFHVURJKSA-N 491.585 2.164 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)C(F)F)C1 1842666369 HJMMZZHTTZVDEB-CQSZACIVSA-N 469.485 2.002 10 20 JECD CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843248903 FXDDVTBAUOZZJE-INIZCTEOSA-N 462.547 2.393 10 20 JECD CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251209 HEKURKCPFUXEQZ-SJORKVTESA-N 474.558 2.393 10 20 JECD CC(C)N1CCC(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)CC1 1843440819 CMPCOYGYOPRCJW-UHFFFAOYSA-N 451.571 2.103 10 20 JECD CC1=NN(c2ccc(C(=O)N3CCCC34CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)cc2)C(=O)C1 1844960259 KXSWZDARUVKOLX-UHFFFAOYSA-N 498.543 2.409 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ncn(-c3cccc(F)c3)n2)=NN1c1ccccc1 1848311633 OOQBZUXJBGUCOY-SFTDATJTSA-N 487.495 2.015 10 20 JECD COc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1S(=O)(=O)N1CCCC1 18356638 NKZVIDIIMFXZRE-UHFFFAOYSA-N 489.594 2.361 10 20 JECD Cc1nn(C)c2ncc(S(=O)(=O)Nc3nc(-c4cccc(-n5cnnn5)c4)cs3)cc12 727250305 HYXAPFSSLXMPIZ-UHFFFAOYSA-N 453.513 2.177 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(OC(F)(F)F)c3)CC2)cc1 743432855 URTIZCFIGFYIEG-UHFFFAOYSA-N 466.460 2.471 10 20 JECD COCCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 750875381 UBEHJHAIJUSFND-QFIPXVFZSA-N 475.611 2.499 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)cc2)C1 917930014 MMSXYMSHMJJNDK-QGZVFWFLSA-N 498.527 2.159 10 20 JECD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 918276732 HQGVTCUBKWMYLF-UHFFFAOYSA-N 494.470 2.165 10 20 JECD CNC(=O)c1cccc(CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919784718 RSXCPFCYMHINAM-UHFFFAOYSA-N 477.544 2.301 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1N(C)C 1777852150 FOROCBPHGCSWMT-CJFMBICVSA-N 484.553 2.009 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnncc4C(=O)O)C3)C2)cc1 1779531267 YTKVZEQSRKVFGU-AREMUKBSSA-N 489.532 2.340 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncc(F)cc1F)C2 1783218720 ZDVVNZYHFGQHQC-RVGDXEIMSA-N 489.475 2.318 10 20 JECD C[C@@H]1CCc2c(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)/C=C/c4ccc(O)c(O)c4O)C3)n[nH]c21 1783222321 LWDFQEFRZLUACB-OKYWXWELSA-N 496.564 2.417 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-c3cc[nH]n3)cc1)CCO2 1785509767 CSFGJHBURIFKEJ-WHVGEVHXSA-N 490.516 2.350 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)CC3Cc4ccccc4C3)C2)C1 1785654342 WFLHWVQYXHASSN-WZSLKZGSSA-N 478.545 2.452 10 20 JECD COC(=O)C12CC(C(=O)Nc3ccc(C4(NC(=O)CN5C(=O)CSC5=S)CCC4)cc3)(C1)C2 1791404285 FDQOUCMXGGPEOJ-UHFFFAOYSA-N 487.603 2.324 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(CO)CC1)C1=NN(c2ccccc2)C(=O)C1 1794109805 HAPHXQKGBAJXET-KJESVFTCSA-N 452.555 2.216 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncc[nH]1 1794835266 CZKKTEGCCLCIEK-XMTFNYHQSA-N 499.568 2.209 10 20 JECD CN(C)c1cncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796932693 RWPZHFVIKDFIFI-FNLKRUPLSA-N 460.538 2.192 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 1797190028 LFASGZLNSKXUNQ-WNKGXHABSA-N 457.914 2.153 10 20 JECD CC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc(F)cc1 1799820285 LAPOPMHUIKJVDX-VBGONSDCSA-N 497.523 2.471 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cccnc1Cl 1802283237 VLKHBGGVZMRMSX-KBXCAEBGSA-N 490.010 2.310 10 20 JECD Cc1cnc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cn1 1805551624 CJYDOXSOEHMQLX-CYFREDJKSA-N 483.532 2.293 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998662 DMNWIDZZZWBAHQ-BTYIYWSLSA-N 479.449 2.135 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)CC2)C1 1810554558 NPYRZEPOYUWXAI-HXUWFJFHSA-N 463.538 2.104 10 20 JECD Cc1ocnc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1811073925 JSOKJKRFMLKVBP-FDDCHVKYSA-N 472.505 2.491 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccn1 1814191009 FSWVQTYEQAEFQV-WJPUGNRLSA-N 483.619 2.146 10 20 JECD CCc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)no1 1819892092 AAFCPSDQELCEJA-CQSZACIVSA-N 462.557 2.126 10 20 JECD Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)nc2nccn12 1821477954 QEXIOCRYPRKYCP-INIZCTEOSA-N 462.470 2.187 10 20 JECD Cc1nccn1CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1821729293 BSSAVRYGAKJERE-HXUWFJFHSA-N 474.525 2.400 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cccn2)[nH]n1 1823475025 IUACRMQCDJYURT-BVBGJJFLSA-N 452.471 2.129 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CO)c(F)c2)[nH]n1 1823500963 KEQYXSFDIFHPGN-MRXNPFEDSA-N 491.570 2.207 10 20 JECD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716453 NLGUODUHTMDZMQ-IBGZPJMESA-N 493.524 2.344 10 20 JECD CC(=O)Nc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)cc1 1827730804 LYGYZZJUKWQOTJ-HNNXBMFYSA-N 467.507 2.447 10 20 JECD Cc1nnsc1C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828199467 UXSHRYRDASKJNP-CGAJTASUSA-N 473.536 2.359 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2cc(-n3ccnc3)ccn2)C1 1844818728 UBRMWLZADHHLET-UHFFFAOYSA-N 453.886 2.463 10 20 JECD COCCOC(=O)c1sc2nc(CN3CCN(c4ccc(OC)cc4)CC3)[nH]c(=O)c2c1C 104502901 OPBHKXSGHAGWSS-UHFFFAOYSA-N 472.567 2.427 10 20 JECD O=C(COC(=O)CCn1nnc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 753841920 IGTCPYJEMQQLOZ-UHFFFAOYSA-N 482.452 2.139 10 20 JECD O=C(N[C@H]1CCN2CCC[C@@H]2C1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 917291995 GMORUVACOLNBCD-GOEBONIOSA-N 460.512 2.458 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2F)C[C@@H](C)O1 917714980 XTMMZHNYIIOTHZ-QZTJIDSGSA-N 491.585 2.390 10 20 JECD Cc1cc(C(=O)COC(=O)Cn2cc(Br)cn2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 919478320 HFCOQJCVFGTHKW-UHFFFAOYSA-N 495.355 2.127 10 20 JECD O=C(c1ccn2nccc2c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007033 GYRJSIUNEFMXBQ-QFIPXVFZSA-N 456.886 2.156 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](C)n3cnnn3)C2)cc1 1782605671 XQUGGTIWZLKWIY-ROSOWXQZSA-N 491.596 2.469 10 20 JECD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1)c1ccccc1 1783246742 GWLUPBZQMCEUOQ-JTUHZDRVSA-N 475.636 2.164 10 20 JECD COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1F 1784705386 NNUYCBSWGAFQPV-CIFMFNLYSA-N 486.496 2.037 10 20 JECD Cn1c(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc2ccccc21 1785503170 BVROODMXCGXZQO-XQOHEHAGSA-N 491.544 2.381 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1ccc(Cl)c(Cl)c1)CCO2 1785544877 BZFWHHYEJMVPRE-LJQANCHMSA-N 488.418 2.297 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)C3Cc4ccccc4C3)C2)C1 1785684255 RMZHYEIDZATKKS-WHVGEVHXSA-N 464.518 2.062 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1ccc(C2(NC(=O)CN3CCOC3=O)CCC2)cc1 1792299509 KOLNEZXBDYDAOS-YCRREMRBSA-N 467.478 2.403 10 20 JECD CCOC(=O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796935684 ZBARDIJYAWLQER-VBUUOAMHSA-N 454.527 2.007 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccc2cc[nH]c12 1797094648 CTLRZPXQZGPKKR-ZLSBKTEHSA-N 463.490 2.201 10 20 JECD Cc1onc(-c2ccncn2)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1798490875 USEFULQGNUDPBQ-HBCWATKFSA-N 499.911 2.022 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)[C@@H]1CC[C@H]2CCC(=O)N2C1 1800718178 LKSOHXURJOIQAY-FMPTWSOUSA-N 461.946 2.404 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cccnc1Cl 1802283261 VLKHBGGVZMRMSX-RDTXWAMCSA-N 490.010 2.310 10 20 JECD CCn1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c2ccccc21 1804333242 DXAYLUWGQDGUJS-QDMKHBRRSA-N 471.608 2.168 10 20 JECD COc1cnc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(F)c1 1805082873 UXJAKEJGXLTKKJ-LHSJRXKWSA-N 467.457 2.064 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1ccc(O)nn1 1805276026 QEPYIKLOHKMGAF-BFUOFWGJSA-N 469.885 2.275 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cocn2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808466901 CCCMHVHFRPLVEU-VGSWGCGISA-N 458.478 2.182 10 20 JECD COc1ccc(CC(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)cc1O 1810549321 KQSPJKNSRQDWBJ-UHFFFAOYSA-N 455.511 2.295 10 20 JECD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810550258 HCMSZXNAUWHOQS-QZTJIDSGSA-N 457.527 2.093 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2csnn2)[C@@H]1c1cccnc1 1814162544 UCEXXVGTBFUIFR-UVKZZVNJSA-N 467.507 2.083 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc3ncoc3c2)[C@@H]1c1cccnc1 1814189288 ODEWVGZMAKHIPD-IIBYNOLFSA-N 495.586 2.403 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc3[nH]ccc3n2)[C@H]1c1cccnc1 1814189765 YBBYQSSPNBGTRB-BTYIYWSLSA-N 494.602 2.138 10 20 JECD CC(=O)N[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)C(C)(C)C 1815057798 KCBWKCAENHWLHN-KXBFYZLASA-N 458.519 2.073 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1815231133 KEIKDEGSQVYYOI-IAQYHMDHSA-N 484.962 2.461 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@H]1CNc2ccccc21 1817345583 KYRDKSUGPJTVHB-WMLDXEAASA-N 484.607 2.471 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2cccn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146674 XBYGATCWNYBIML-LJQANCHMSA-N 460.498 2.091 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)[nH]n1 1823479707 NBRNWTORTOSUCU-WNUFMEJXSA-N 454.483 2.124 10 20 JECD O=C(COc1ccc(O)nn1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823712578 PAPHQGZGMNRITP-SNVBAGLBSA-N 491.913 2.008 10 20 JECD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1)n1ccnn1 1823712591 PWOZSUARDPWULJ-GXSJLCMTSA-N 462.919 2.286 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)CC2)c1cc(O)c(O)c(Cl)c1 1823712718 VOJMBBYORGSWNK-BMIGLBTASA-N 485.971 2.011 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2nccc3nc[nH]c23)CC1 1827507187 KARAQIDTDAKDHU-MRXNPFEDSA-N 486.623 2.052 10 20 JECD CCOc1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)cn1 1828195295 KXRIOXWGQCBJTR-GBVBUYCNSA-N 497.533 2.388 10 20 JECD CSc1ncccc1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828247546 XVOAAWZVYGOZSX-SNVBAGLBSA-N 493.661 2.346 10 20 JECD Cc1cnc2c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)cnn2c1 1828596250 AAHASQBHJMJINS-LJQANCHMSA-N 464.526 2.391 10 20 JECD CCN(CC)C[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1831132037 VQCXKVVUXJYSLP-IEBWSBKVSA-N 482.716 2.444 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(N2CCC(NC(=O)C3(C(F)(F)F)CC3)CC2)CC1 1835494227 DNPASVFZYNJVLR-UHFFFAOYSA-N 456.465 2.021 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cccs3)C2)C1 1839431856 RGOLBLNXUPUHLY-HXUWFJFHSA-N 452.916 2.197 10 20 JECD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c(O)c(Cl)c1 1847644674 KOICOJFMLIJGKR-ULQDDVLXSA-N 493.944 2.145 10 20 JECD COc1ccc(N2CCCN(C(=O)Cn3c(CS(C)(=O)=O)nc4ccccc43)CC2)cc1 108429913 WFNRDDMDRCKJHK-UHFFFAOYSA-N 456.568 2.328 10 20 JECD CN(C)C1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)cc2F)CC1 728404969 OGDDNFBUENDREN-UHFFFAOYSA-N 483.588 2.448 10 20 JECD O=C1NCCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)[C@H]1c1ccccc1 749011538 VLYKJLRLFQSYDE-QHCPKHFHSA-N 489.555 2.325 10 20 JECD NC(=O)c1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc1 784067723 CXJXDYLDZWWZRD-AWEZNQCLSA-N 463.581 2.435 10 20 JECD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1 917917364 GCTQGAZWOIBTNC-HUUCEWRRSA-N 456.561 2.321 10 20 JECD COc1cc(OC)cc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)c1 918224991 YUZRMKIBXVLQCA-UHFFFAOYSA-N 486.544 2.347 10 20 JECD CCn1c(=O)nc(O)c2c(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc(C(C)C)nc21 918671559 DCRWBAPKSBFPRE-QGZVFWFLSA-N 492.580 2.272 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CCCN3C(=O)c3ccccc3OCC)nc12 919100075 WSSGVZLGXOEEQB-GOSISDBHSA-N 482.493 2.358 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)cc1 1778832653 GXTCDDCMWUZCOI-FRSJXWKWSA-N 476.577 2.372 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)cc1 1781754539 ZWHVRXCIHYMTEV-RCZVLFRGSA-N 485.606 2.115 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1c(F)ccc(O)c1F)CCO2 1782007726 KYOOOUIKRVMDOC-OAQYLSRUSA-N 468.840 2.492 10 20 JECD O=C(/C=C/c1ccsc1)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785508716 JVPXHPFEAJEOIY-OPDBQMSUSA-N 456.520 2.421 10 20 JECD CC(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C[C@@H]21 1786352356 IVGAUHXFKIRVRT-UVUJQTEASA-N 488.629 2.340 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)C2)c1cc(O)nc(O)c1 1796140309 KGJKVDOOGBGWGW-IVWMJMPLSA-N 469.391 2.168 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(O)nc(O)c3)C[C@H]2C1 1796602372 ANKMUMPLLRIMLV-RYNBEVSTSA-N 486.569 2.392 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccc(OCCCO)cc1 1796934725 QQVGBTUYINTDLJ-QQFNCUIESA-N 490.560 2.493 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2cc(Cl)ccc2n1 1797370666 WMFIJMBYIZSHGB-BTTYYORXSA-N 477.999 2.100 10 20 JECD CCOc1ncccc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1802318178 DFJJNCNJRNZXNC-KKSFZXQISA-N 463.494 2.315 10 20 JECD CO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1802386703 JPSSDQFRPWNKNM-FTWQHDNSSA-N 491.585 2.207 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc3c2OCCO3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996527 UNSNGJLQRQYACU-ZHRRBRCNSA-N 476.489 2.292 10 20 JECD O=C(CCn1c(=O)oc2ccccc21)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810546425 AUSCAIGAIZARJQ-UHFFFAOYSA-N 480.521 2.336 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cnn2cccc(F)c12 1812282071 JOAAINMXSIRRJC-VFNWGFHPSA-N 476.468 2.308 10 20 JECD CC1(C)CC(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)C1 1813128346 BVEZUHCQEVRTKB-DNVCBOLYSA-N 460.625 2.384 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)C1(O)CCC1 1814161082 BHOIFJCWEIIUMH-VVKOEQFZSA-N 481.549 2.469 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccn2)[C@@H]1c1cccnc1 1814189774 YGDRKDKJJFHVAY-IFXJQAMLSA-N 490.010 2.310 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c3c2OCO3)[nH]n1)c1cc(O)nc(O)c1 1817847546 KOBGXOXAMXBDGY-CQSZACIVSA-N 496.436 2.473 10 20 JECD CC(=O)N(C)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145957 OQLYPRGHTGFSRJ-FQEVSTJZSA-N 479.541 2.063 10 20 JECD O=C(CS[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1819869621 UFQUOADBGZBTGT-XIKOKIGWSA-N 464.569 2.435 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1cc[n+]([O-])cc1 1820035551 NXKXUPWJVZOHFY-UABRLCRWSA-N 465.466 2.179 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)C1CCC2(CC1)OCCO2 1821821722 RQCNHAXTTIPAIK-KRWDZBQOSA-N 471.514 2.455 10 20 JECD Cn1cnc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)c1 1823476663 LIZRCWJDWBLIRN-IQIBNGDESA-N 452.471 2.279 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)CC1 1824772972 NVSJOWFBIKXOEK-SFHVURJKSA-N 489.956 2.300 10 20 JECD CC1=C(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)CCO1 1832901539 FLUKMJCMLTXUKT-KRWDZBQOSA-N 451.614 2.161 10 20 JECD Cc1scc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1C 1834540620 KCPSHQARQLEJCK-WUQPGSQJSA-N 488.562 2.265 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@H]3C[C@H]3C3CC3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134216 BAIYXAOPNBOCBD-GOTSBHOMSA-N 477.609 2.397 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)C3CCCCC3)CC2)CC1 1837622012 VLGIDTDPSSHWEF-UHFFFAOYSA-N 467.657 2.426 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccc4n3)C2)C1 1839434043 KAOYDSZYVVNHBI-XMMPIXPASA-N 498.923 2.078 10 20 JECD C[C@@H]1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839434093 NAKXBZMTAKKAED-VKIFBMEASA-N 452.935 2.257 10 20 JECD CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250914 CAXDBDFWXCBZDF-MRXNPFEDSA-N 460.531 2.099 10 20 JECD CCO/C=C/C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251525 DUILCGWFJXEMMJ-PEKVBPLLSA-N 489.569 2.287 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)c1cnoc1)C2 1844251564 HJHOCDOYUXANNP-KRWDZBQOSA-N 486.525 2.039 10 20 JECD COc1nccc(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)c1NC(=O)OC(C)(C)C 1844556711 HXHNTVKKKAVBQL-UHFFFAOYSA-N 499.524 2.374 10 20 JECD O=C(c1csc(-c2ccccc2)n1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054697 WYSXNAKISMBIIA-UHFFFAOYSA-N 472.617 2.487 10 20 JECD O=C(O)/C=C/c1ccc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 13190679 LRQKPRGMIUEWSM-FNORWQNLSA-N 462.440 2.112 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 18253420 KLXJVBJMPZUNBR-UHFFFAOYSA-N 467.975 2.228 10 20 JECD Cc1cc(C(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c(C)n1-c1cccc(F)c1 23469080 MSFZQEHWIBBBOU-GOSISDBHSA-N 489.525 2.125 10 20 JECD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)NCc1ccc(N2CCOCC2)cc1 743313979 IFTYDBZKTJHQBM-UHFFFAOYSA-N 467.570 2.241 10 20 JECD COc1cc(OC)cc(C(=O)N2CCN(Cc3cc(C(C)=O)cc(CN4CCOCC4)c3O)CC2)c1 914571393 NWYYMILRDMTDEA-UHFFFAOYSA-N 497.592 2.402 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 918442095 CDJKJURYLIPEHQ-UHFFFAOYSA-N 450.539 2.277 10 20 JECD CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 918671574 DVLOCARCBOSTHH-IBGZPJMESA-N 488.610 2.234 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CC(=O)N(c4ccc(OCC)cc4)C3)nc12 918830851 UDJODIGRRDHNFS-AWEZNQCLSA-N 468.466 2.107 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)c1 919811147 LWSWJJNCYGMITA-UHFFFAOYSA-N 453.948 2.254 10 20 JECD Cc1nc2ccc(F)cn2c1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510094 MEUZKLDTHJUTLQ-UWCCTICSSA-N 496.495 2.056 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1cc2sccn2c1 1787273829 UEMBDIOWMMZWKF-LRQRDZAKSA-N 491.573 2.387 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3c(F)cccc3F)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540144 JBMBUNUSZHBLBS-NVVBAYIOSA-N 496.514 2.280 10 20 JECD C[C@H](Cc1ccco1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1791678914 IQJUBRMRSAEQKQ-GPFNJZLUSA-N 478.549 2.231 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1COc2ccccc2O1 1794101583 MLWXJYDFCMNZEN-XAAJFATASA-N 466.490 2.295 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1cccs1)c1cc(O)c(O)c(Cl)c1 1794394198 JLZRFBFFUCNQAD-BTTYYORXSA-N 463.943 2.495 10 20 JECD Cc1cc(Br)cnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1795343132 XDNLUVAYOCNJJB-BTTYYORXSA-N 497.440 2.265 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799769560 YBWUSQXJSHOYBR-BCEDRHLLSA-N 459.930 2.455 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3sccc3s1)C2 1802104067 OKLKTQHSCXPVSU-YQYWCBKUSA-N 481.646 2.026 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)C1(O)CCC1 1808464420 LTNQOZYAQIJBLH-DRMXPCRNSA-N 489.576 2.431 10 20 JECD Cc1nc[nH]c1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808677195 HGJHTMQVTCYBHC-JPYJTQIMSA-N 471.521 2.226 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811805892 FWVRIKUYAINTOC-PXAZEXFGSA-N 457.874 2.208 10 20 JECD COC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162339 RAJOZCAPZQKAEY-JFFDJDQUSA-N 455.511 2.343 10 20 JECD Cc1ccccc1NCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814185939 IWZBWJQEXWTFQC-FDDCHVKYSA-N 497.646 2.368 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2c[nH]c3nccc-3c2)[C@@H]1c1cccnc1 1814188857 BYJSCCMOHZSGRA-OXJNMPFZSA-N 494.602 2.089 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2nccc3[nH]ccc23)[C@@H]1c1cccnc1 1814189564 SGVICGKBBWYANX-YCRPNKLZSA-N 494.602 2.138 10 20 JECD CO[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2)c1ccccc1 1814364603 FWDPYLDROXZGBB-UGSOOPFHSA-N 490.632 2.303 10 20 JECD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1)n1cncn1 1823479395 KEORVQJTOXIZQI-KQOCBEFLSA-N 467.486 2.085 10 20 JECD O=C(COc1ccccc1F)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1825466019 QIRIJGPERYKFEE-LLVKDONJSA-N 494.595 2.134 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1nccc3[nH]ccc13)CC2 1828242566 MXOOQAMVSRDVAN-SNVBAGLBSA-N 486.604 2.106 10 20 JECD Cc1nc(F)ccc1C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828247537 XSCQAKXCGYYVLF-JTQLQIEISA-N 479.584 2.072 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2Cc3ccccc3O2)CC1 1828434096 MBDLZSHGXBKSBU-QUCCMNQESA-N 487.647 2.470 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cnc3c(c2)CCNCC3)CC1 1831147648 FXMDJRKUWULRBI-JOCHJYFZSA-N 479.581 2.123 10 20 JECD Cn1ncc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1Cl 1832901268 SJNRRPUDAFUGIH-OAHLLOKOSA-N 484.047 2.167 10 20 JECD O=C(Cc1ccc(F)c(F)c1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1834532021 MAUZFFWYGUHAKK-UHFFFAOYSA-N 474.508 2.199 10 20 JECD COC(=O)Nc1cccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1836426628 KUJKFGPTGXAFQO-UHFFFAOYSA-N 497.552 2.170 10 20 JECD Cn1ccc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)c1 1837375351 BJLLEUSEFPIFJB-HWKANZROSA-N 469.538 2.468 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)c3cccc(O)n3)CC2)CC1 1837474754 KBGKITVBLLMRNB-FNORWQNLSA-N 483.521 2.230 10 20 JECD CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1839831575 XDEMWDUUFZIETI-VWLOTQADSA-N 453.539 2.143 10 20 JECD CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1847083960 CCJYREAQZXJCQD-KSSFIOAISA-N 462.547 2.249 10 20 JECD COC(=O)CCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc2c1=O 26171709 XYIAJRNBVNVZBW-UHFFFAOYSA-N 496.589 2.409 10 20 JECD Cc1nnnn1-c1cc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ccc1F 727946705 MVMUDPGOSWUOPW-OKILXGFUSA-N 485.495 2.117 10 20 JECD Cc1cccc(-n2c(C)cc(C(=O)OCCN3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)c2C)c1 729208985 PIOCHHFGSVLMRZ-UHFFFAOYSA-N 477.565 2.111 10 20 JECD C[C@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)Nc1ccc(C(N)=O)cc1 797355015 NTGYXCDQINPBRP-LBPRGKRZSA-N 457.442 2.327 10 20 JECD O=C(NC[C@H](O)COc1ccccc1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 915080814 AJWMTBDHSQURFG-KRWDZBQOSA-N 487.490 2.271 10 20 JECD O=C1CCc2cc(F)c(NC(=O)C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2N1 918439954 ZOJZTYRFISYSSW-UHFFFAOYSA-N 458.465 2.066 10 20 JECD O=C(COC(=O)Cc1cnn(-c2ccccc2)c1)NCc1ccc(N2CCOCC2)c(F)c1 918938024 DTGOUDUMBFNMPY-UHFFFAOYSA-N 452.486 2.250 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)nc12 918951657 WSGJCZAKVCRBQL-UHFFFAOYSA-N 453.860 2.026 10 20 JECD CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 919064467 SOTHKMUYHAMXNB-QAEAHILHSA-N 495.648 2.400 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC1CCC1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127181 DNYYSYJCJRLVKH-PXDATVDWSA-N 452.555 2.483 10 20 JECD COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)cc1N(C)C 1780659960 MZDXJZXRPMOOJT-CJFMBICVSA-N 484.553 2.009 10 20 JECD Cc1ccc(/C=C/C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)s1 1782505389 ZJSUVOMBTMKDPR-NZRBFCARSA-N 493.676 2.444 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cc[nH]c4cc3F)C[C@@H]21)c1cc(O)nc(O)c1 1787295450 VKCFFFLXZJTZFI-AXHNFQJDSA-N 454.458 2.020 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3COc4ccccc4O3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243020 NSOVWXYGYCMHPG-LUNSWOAPSA-N 488.924 2.185 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)c3ccco3)[C@H]2C1 1790615872 TVHDUGLPEYRJPU-IEZWGBDMSA-N 486.475 2.144 10 20 JECD O=C(COc1ccccc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1790969909 ROHFAVCQXGFGBT-DJMBKUCCSA-N 486.496 2.014 10 20 JECD CC1(C)CCc2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)nc(O)c3)C4)c2O1 1796255088 XTTQGFTYTAELSJ-UPHUGPLXSA-N 467.522 2.113 10 20 JECD CC(C)(C)n1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n1 1805043518 LFHCAGPHBQXPGI-IIBYNOLFSA-N 464.526 2.473 10 20 JECD CN(C)c1cccc(OCC(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)c1 1806735200 XZJIIAUKPMYKMK-UHFFFAOYSA-N 468.554 2.483 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc3ccnn23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998256 BZYMDVIMZOMQRH-AOMKIAJQSA-N 458.478 2.169 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)CC2)C1 1810551301 GTKPNBPVKMAXCZ-JOCHJYFZSA-N 494.592 2.239 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc(O)cc2F)[C@H]1c1cccnc1 1814189938 KZJLUOKNWZDDNB-XOBRGWDASA-N 488.566 2.106 10 20 JECD Cn1cncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146424 HTODYQCUDGJWQO-SFHVURJKSA-N 460.498 2.242 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2)N1CCN(C)CC1 1822692550 JPRSVRHMFIYOOA-GXTWGEPZSA-N 494.017 2.069 10 20 JECD C[C@H](Cc1ccncc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1824527317 LTIWIDOUYCSLPK-TZMCWYRMSA-N 489.648 2.189 10 20 JECD CCOc1cnc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)cn1 1825473233 SUTNOAZNNGTKRO-SFHVURJKSA-N 455.515 2.229 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ncccn23)CC1 1828248636 GVLADJSGOXKSTO-QGZVFWFLSA-N 450.499 2.083 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1829165159 XZLZRXDCDUZDET-YERXGYGTSA-N 485.497 2.381 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1ccncc1 1834139601 UHXBFOKCBLTCHS-DUXPYHPUSA-N 466.538 2.097 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)Cc3ccc(F)cc3F)CC2)CC1)c1cc(O)nc(O)c1 1834987261 JLIIETMPJDTPDD-UHFFFAOYSA-N 474.508 2.199 10 20 JECD COc1ccsc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1836038462 MXTZIVKJMOIUIX-UHFFFAOYSA-N 460.556 2.062 10 20 JECD C[C@H](Cn1cncn1)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838420969 DBLATFHUDCPCFG-OAHLLOKOSA-N 491.976 2.291 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)cc1 1839348910 SQHDGBGCDRKLFD-AREMUKBSSA-N 477.565 2.061 10 20 JECD Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1839431701 HXDVJNSDXHFLDO-DEOSSOPVSA-N 474.941 2.372 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)cc1 1839722236 IICJLNLUHAPAPZ-AREMUKBSSA-N 477.565 2.130 10 20 JECD Cn1ncc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1C(F)(F)F 1847033781 DEZMGPKHNXQCAH-GQCTYLIASA-N 466.416 2.086 10 20 JECD Cc1nn(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c(C)c1[N+](=O)[O-] 748523870 VNEBHAUZPIKHEU-PXNMLYILSA-N 489.535 2.154 10 20 JECD Cc1ccc(OCC(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 748826020 RJWCNIFGNHTGNJ-UHFFFAOYSA-N 470.545 2.404 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCc3cccc(CS(C)(=O)=O)c3)CC2)cc1 749191521 ITLAXUUGQRTCAA-UHFFFAOYSA-N 474.627 2.251 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CN(C)CC(=O)N3CCCC3)c2C)c1 749894826 UVNNVQDBBHKWQW-UHFFFAOYSA-N 469.538 2.404 10 20 JECD Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C)n1-c1ccc(C(C)C)cc1 750584138 AYOQERYCNYREKR-GOTSBHOMSA-N 459.612 2.445 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CCc3c(C)nc(-c4cccnc4)nc3O)CC2)cc1 751386362 SEFOYLVWGNCYGH-UHFFFAOYSA-N 476.581 2.432 10 20 JECD COCCCNC(=O)COC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 913360427 CRKAAPPJDCBVCL-NTEUORMPSA-N 487.397 2.346 10 20 JECD CC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 918464692 ZJITYXLWDODSLW-MRXNPFEDSA-N 471.945 2.255 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CN3C(=O)CCOc4ccccc43)cc2F)C[C@H](C)O1 919012085 VAKOIJQZXMAVDX-ROUUACIJSA-N 499.539 2.414 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CCCCN3C(=O)c3ccco3)CC2)cc1 919644464 YXNSKTMQWXQNEK-FQEVSTJZSA-N 455.511 2.175 10 20 JECD COc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)ccc1C 1780463296 GYGIQVQUKBHZSL-NTKDMRAZSA-N 455.511 2.251 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@H]1CCCS1 1782762011 RXVIGUYNHNKULG-YMBATADGSA-N 462.568 2.226 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783221883 PPZVOEUBECVLNR-DMDPLBLGSA-N 496.564 2.226 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1784287870 KJVQUAOEHYGKDR-WNSKOXEYSA-N 459.930 2.469 10 20 JECD Cc1cc(C)n2ccc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)c2n1 1785509812 GJOWYPGTWILJIS-CKUSHTOWSA-N 492.532 2.225 10 20 JECD CN(C)c1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785509843 APTDWGVMJGBLLB-LDOPOZNOSA-N 495.576 2.345 10 20 JECD Cc1ccc2c(/C=C/C(=O)N3CC[C@@]4(C3)CN(C(=O)c3cc(O)nc(O)c3)CCO4)c[nH]c2c1 1785661292 KCILOXGOPNEWIG-CMEKQAILSA-N 462.506 2.439 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1coc(Cl)n1 1785676502 AWCIAUPYEOTOCH-ZSGNIPIJSA-N 456.282 2.300 10 20 JECD O=C(NC1(c2ccc(NC(=O)c3c[nH]c(=O)cn3)cc2)CCC1)C1=NN(c2ccccc2)C(=O)C1 1790101149 SLEZZVGTUKSJPN-UHFFFAOYSA-N 470.489 2.311 10 20 JECD CN(CC(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1)C(=O)C(=O)O 1791097953 LMFZYNUTAQWXAR-UHFFFAOYSA-N 475.885 2.042 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@@H](F)c1ccccc1 1793721630 YZXMXUYVSZHECN-WKZKVMAPSA-N 464.497 2.080 10 20 JECD CC(C)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)C(=O)OC(C)(C)C 1796600827 HGAIYBAOWIPNEC-BJWYYQGGSA-N 462.547 2.390 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2ccsc2n1)C1=NN(c2ccccc2)C(=O)C1 1798145142 ZZAAUUKRWHDYLI-ACHSLPGTSA-N 462.535 2.441 10 20 JECD CC(=O)N[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)C(C)(C)C 1804282813 DJAVHMYTBYMOBK-LLTNVHPYSA-N 459.543 2.006 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccnc2S)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991410 HELPNDAJBZVEJM-AUUYWEPGSA-N 451.508 2.205 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3ccccn3n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996235 OMXVSFMQNOQIPM-OPAMFIHVSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=COCC2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470498 WVTYGBPFSMXRJJ-JPYJTQIMSA-N 459.506 2.185 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812950949 ZOLQALGPZRHVBZ-PTSWNOGYSA-N 485.541 2.121 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CCc2cnc[nH]2)[C@@H]1c1cccnc1 1814160961 ATFKZHJBVNFPAI-ROKXVKNSSA-N 477.521 2.274 10 20 JECD COc1cnc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cn1 1814162830 RRJGCPBOGWMXNK-CJOSSSAMSA-N 491.504 2.030 10 20 JECD Cc1nccc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1814164235 VYZLRLXIZJDNBR-IAADTXTGSA-N 475.505 2.330 10 20 JECD O=C(C[C@@H]1COc2ccccc2O1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720278 IOGIOCDDSXVFRB-UONOGXRCSA-N 482.518 2.405 10 20 JECD N[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1)c1ccccn1 1818146732 ZPKNJSQHDSWDJU-REWPJTCUSA-N 486.536 2.290 10 20 JECD Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)n(C(F)F)n1 1820294328 AWUCFMIYYOISSA-GFCCVEGCSA-N 497.553 2.476 10 20 JECD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)n1cncn1 1822765409 DKEFSANQIFFJFV-KXBFYZLASA-N 475.513 2.047 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)C3(Br)CC3)sc2C1)c1cc(O)nc(O)c1 1823024238 REFXEVYQLKUJNJ-SECBINFHSA-N 453.318 2.103 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823500566 FXEZEZKNZUBJAL-BBRMVZONSA-N 488.595 2.125 10 20 JECD Cn1nccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715986 YDNMZFDHZFEWMF-OAQYLSRUSA-N 462.554 2.446 10 20 JECD Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)nc1C 1828240685 ZCBOAAPAJULFEQ-GFCCVEGCSA-N 475.621 2.241 10 20 JECD COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c(O)c1 1829930613 FOBKGUWEAQWLCL-SFHVURJKSA-N 491.635 2.494 10 20 JECD CN1CCN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1830739647 ODEOPBRJWYLRFU-HXUWFJFHSA-N 479.021 2.232 10 20 JECD O=C(Cn1cccn1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877296 DLAYRDNKSQQGRY-FNQPIQQGSA-N 454.527 2.333 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc[nH]4)C3)C2)cc1 1839348922 UFALGOLGMOKMGC-RUZDIDTESA-N 463.538 2.201 10 20 JECD C[C@@H]1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839434095 NAKXBZMTAKKAED-YGHRGLEHSA-N 452.935 2.257 10 20 JECD COc1cccnc1CCC(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441153 ADOLCTHPBGGOPZ-UHFFFAOYSA-N 461.522 2.019 10 20 JECD Cc1nccn1CC(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1845819760 HVKBSMXMBVBJBG-OAQYLSRUSA-N 496.612 2.113 10 20 JECD CCn1cnnc1SCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 18966990 SXAMEPZVMAOPQY-OVCLIPMQSA-N 477.593 2.136 10 20 JECD COc1ccc(N2CCN(CN3C(=O)N[C@](C)(c4cccc(N5CCOC5=O)c4)C3=O)CC2)cc1 725766809 XAOFCMSVCMMOQK-RUZDIDTESA-N 479.537 2.199 10 20 JECD CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(C)c(O)c2O)sc(C(=O)N(C)C)c1C 727005353 OQUFNMIODOPSNP-UHFFFAOYSA-N 464.496 2.450 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN3C(=O)OCC(F)(F)F)cc2)C1 727789139 XKEHGMHIAQHRHM-NVXWUHKLSA-N 456.465 2.168 10 20 JECD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 731132139 ZZCDYOMQKSJBBJ-UHFFFAOYSA-N 474.583 2.360 10 20 JECD CCN(C1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1)S(C)(=O)=O 731359475 KSMJYPKSHIVCES-CALCHBBNSA-N 470.611 2.395 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1F 747012465 XIOUNCORURUTTM-UHFFFAOYSA-N 488.585 2.272 10 20 JECD C[C@H]1CN(c2ccc(NC(=O)COC(=O)c3cc(NS(C)(=O)=O)ccc3O)cc2)C[C@H](C)O1 747498621 CNKYQQYLPYQCNF-GJZGRUSLSA-N 477.539 2.173 10 20 JECD Nn1c(SCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nnc1-c1ccccc1F 917179730 SUOJZFKFQURVAT-UHFFFAOYSA-N 460.510 2.182 10 20 JECD CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 917706661 FLOLFRPKENIHMR-UHFFFAOYSA-N 455.939 2.496 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 918442366 DXLSKNZTZORBPI-UHFFFAOYSA-N 450.539 2.042 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 918552922 AVLAFSHMBLFQPT-NRFANRHFSA-N 499.589 2.119 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 918644765 JOPTYRWYSLMZDR-QFIPXVFZSA-N 499.633 2.245 10 20 JECD CC(C)S(=O)(=O)c1ccccc1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 919122441 BHCGGWHLUUZNQV-UHFFFAOYSA-N 478.542 2.318 10 20 JECD Cc1cccc(OC[C@H](O)CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 920043361 GVTPWGKISLPWCX-OAQYLSRUSA-N 494.571 2.490 10 20 JECD CC(C)n1cnc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)n1 1778278737 AKLXXQWCGNCVRH-VGOFRKELSA-N 477.949 2.365 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)cn1C 1783222135 JHDUMNPEGOKVCE-OOSRFHLNSA-N 469.538 2.291 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(F)(F)Cl)C2 1783223208 ZKONPMIJGWEPIV-DOTAZXDHSA-N 460.861 2.162 10 20 JECD Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1F 1785509769 CVSMSDKUVZTYTF-SXBBHYFQSA-N 456.470 2.408 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3onc4ccccc34)C[C@@H]21 1792217815 KZIBDYDPOJCWRF-PFAFGPMFSA-N 479.489 2.251 10 20 JECD Cc1cccn2ncc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=C/c5ccc(O)c(O)c5O)[C@H]4C3)c12 1792218001 MUGKAGXWKIUSSH-JSFTZJQYSA-N 492.532 2.066 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)on1 1792459388 DZJRVZUSBXIRPT-MUJYYYPQSA-N 470.576 2.454 10 20 JECD CCc1[nH]nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1F 1794849470 QTZXQHFONFXDCU-RBVVOMGSSA-N 452.490 2.156 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cnc(C(F)(F)F)cn1 1796070643 IFBNGBJTSBYHLP-CULMDFNYSA-N 486.834 2.077 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccc2ccnn2c1 1796935118 XLFPVWVBITXCPI-ZHPFXUNLSA-N 456.506 2.379 10 20 JECD COc1c(C)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1C 1799692372 RDNNKJXOVFRJDI-IRJINJETSA-N 490.560 2.308 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cc(F)ccc3s1)C2 1802104115 USZNSDUUVFCCPG-DBWKPXFBSA-N 493.607 2.104 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1803150714 JMHBHKBJDUFRQA-CEQIKUNHSA-N 499.568 2.368 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cnc3ccccn23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993215 GOCHBDULFRNZCY-MZNJEOGPSA-N 472.505 2.098 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(-c3cccnc3)[nH]n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994621 JVXJOTFCTOKYNG-UZUQRXQVSA-N 485.504 2.306 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2nc[nH]c2c1 1809818363 LCNZLZSWRCZAIP-KSFYIVLOSA-N 458.478 2.398 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)N1C[C@H]2C[C@H]2C1 1810166775 WSPAHEQGZDLOBI-LGUMXIHZSA-N 492.576 2.258 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n[nH]1 1811470397 QEHZNJJNYRDZLT-WZONZLPQSA-N 471.521 2.226 10 20 JECD CCOC(=O)c1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccn1 1811525647 UKXVTKHOONPXKM-VGSWGCGISA-N 491.504 2.093 10 20 JECD O=C(CSc1nc[nH]n1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1813349309 QFUIGGDYSSUPAD-UGSOOPFHSA-N 488.957 2.376 10 20 JECD COc1cccc(CC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1814186842 YPPKJPBXXJPVSW-JPYJTQIMSA-N 498.630 2.199 10 20 JECD O=C(CN1CCSCC1)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1814415004 WMIKOAIBMBOEIN-FQEVSTJZSA-N 495.609 2.244 10 20 JECD Nc1ccccc1/C=C/C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1815110729 CZRYCFPLNROXOX-LJLILKBBSA-N 487.632 2.211 10 20 JECD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816727429 UPBDQZQCIGITRK-NHYWBVRUSA-N 499.524 2.133 10 20 JECD C[C@](O)(C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)C(F)(F)F 1817363992 MAUXUEWXPDCBNC-YBTHPKLGSA-N 495.483 2.161 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)C3(Br)CC3)sc2C1)c1cc(O)nc(O)c1 1823024239 REFXEVYQLKUJNJ-VIFPVBQESA-N 453.318 2.103 10 20 JECD Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cn1C 1823498168 NJPBIHXBZAZKBH-HNNXBMFYSA-N 460.585 2.223 10 20 JECD COc1cccc(CC(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1 1828242551 MJYNUDQGWYZXBW-ZDUSSCGKSA-N 490.632 2.167 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@@]2(C1)CN(C(=O)C1(F)CC1)CCN2C(=O)OCc1ccccc1 1829251243 BUBJDQIZCGOFEI-XMMPIXPASA-N 498.511 2.061 10 20 JECD CCc1cc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)no1 1835984034 HBWBDZMWDRMTSC-GQCTYLIASA-N 484.553 2.252 10 20 JECD CC(=O)Oc1ccc(Br)cc1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250265 FASYOXFYGXSEQS-UHFFFAOYSA-N 490.310 2.311 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1csnn1 1847895480 VLKSRLVHEZZBDA-NEWSRXKRSA-N 486.598 2.072 10 20 JECD CN(CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)Cc1ccc(N2CCCCC2)cc1 15571637 CVZDGDLHWIELTR-DHIUTWEWSA-N 463.644 2.303 10 20 JECD CN1CCN(S(=O)(=O)c2ccc(NNC(=S)Nc3ccc4c(c3)OC(F)(F)O4)cc2)CC1 727979564 ZYBZAQRHMDDABE-UHFFFAOYSA-N 485.538 2.258 10 20 JECD Cc1nc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCCCC4)cc3)CC2)cn1C 747720807 KPSRHDVHIODVBJ-UHFFFAOYSA-N 459.616 2.436 10 20 JECD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)n2)cc1 817953416 NAHWNLNRMOWVIO-UHFFFAOYSA-N 453.523 2.045 10 20 JECD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 915269411 YDHNCESZWSEYDX-QGZVFWFLSA-N 454.570 2.012 10 20 JECD COC(=O)c1cc(S(N)(=O)=O)ccc1NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917086688 MLMFFABBDXGERE-OKILXGFUSA-N 451.520 2.485 10 20 JECD Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918288326 UQHMSXPPWIGXOG-HZPDHXFCSA-N 477.558 2.406 10 20 JECD CCNC(=O)COc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 918295697 SQPJGDRAPLSYCH-FQEVSTJZSA-N 455.511 2.053 10 20 JECD Cc1ccc(C)c(N2N=C(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CCC2=O)c1 918334153 FIZCZMOHHIGNTG-UHFFFAOYSA-N 468.579 2.337 10 20 JECD CSc1cccc(N2C[C@H](C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC2=O)c1 918336337 XDKUWIOIXFLRMZ-GOSISDBHSA-N 473.620 2.313 10 20 JECD O=C(CCCNC(=O)OCc1ccccc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918337216 GTQHJPQTTXNZJF-UHFFFAOYSA-N 459.568 2.244 10 20 JECD CC(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 918338093 RYUABCCJPUUBKX-UHFFFAOYSA-N 450.582 2.034 10 20 JECD COc1ccc([C@@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)N2CCOCC2)cc1OC 919790616 UVECZJKEAVXULE-HSZRJFAPSA-N 484.597 2.413 10 20 JECD CN(C)C(=O)CCNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 920476104 QXKNVLVGAYNCHB-UKTHLTGXSA-N 456.387 2.245 10 20 JECD CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2)CC1 920923801 WHPGBFVXEKXJMO-NRFANRHFSA-N 479.625 2.477 10 20 JECD CC(C)c1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)n[nH]1 1780154528 BURYYLOHDLKARM-ATIYNZHBSA-N 492.580 2.454 10 20 JECD O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1783255060 PMADEEIREAROPI-SHRAGUKFSA-N 482.493 2.242 10 20 JECD C[C@@H](Sc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1784419622 HKBAEDMYABIEMS-AYGOZVFFSA-N 485.562 2.222 10 20 JECD COc1nn(C)cc1C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1787244138 RLLVAQLTSPRQTR-UHFFFAOYSA-N 473.580 2.037 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)[C@@H]1CCC[C@@H]2CCCC[C@H]21 1788215106 KRRXSEBGYZFEAF-GTYQWKCWSA-N 493.695 2.433 10 20 JECD COc1ccc([C@H]2C[C@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1 1804334627 UXTVHXVTSIOXLX-LMCLKVLCSA-N 473.620 2.297 10 20 JECD CCc1ncccc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1804991435 SPWIXEZGECYAIW-KKSFZXQISA-N 483.619 2.219 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811796234 FSXCAYRFNDGZBC-FRIZHTMISA-N 495.985 2.147 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cccc(F)c1 1811807636 FFJOQHJPNMVFFH-JXFKEZNVSA-N 472.567 2.401 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(CO)o1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817361943 MHARXQUAXRLQQW-CYBMUJFWSA-N 479.518 2.247 10 20 JECD Cn1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)cccc1=O 1818146272 YAXJWXNIKNJERP-IBGZPJMESA-N 487.520 2.207 10 20 JECD CN1CCCC[C@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1822600837 MGRPOAOMDVIQFM-NMUURSEASA-N 472.567 2.370 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823500568 FXEZEZKNZUBJAL-CZUORRHYSA-N 488.595 2.125 10 20 JECD CC(=O)N(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1824888294 CTLKEFOUACGGJI-JCOOBLOPSA-N 473.570 2.305 10 20 JECD CC(=O)C[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1825930963 WWVAHLXPOAERMK-UKRRQHHQSA-N 467.551 2.463 10 20 JECD CC[C@H](C)[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)c1ccccc1 1834930804 LHROIZBDMQNFKW-YPAAYVHUSA-N 483.565 2.393 10 20 JECD CCn1ccc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)n1 1837541188 YPRCNSMJHAHALK-GQCTYLIASA-N 484.553 2.345 10 20 JECD Cc1ccccc1-n1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1C 108607797 HHRDVFMQEKJPCK-UHFFFAOYSA-N 470.551 2.241 10 20 JECD C[C@@]1(c2ccc(CNC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)NC(=O)NC1=O 726282729 QYHADDXOPUWYNU-CYFREDJKSA-N 452.511 2.338 10 20 JECD CCN(CC)c1ccc(CNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1F 731401114 BJIZYJXKSWEJBI-UHFFFAOYSA-N 455.534 2.243 10 20 JECD CS(=O)(=O)Nc1cccc2c1CCN(C(=O)NCc1ccc(N3CCOCC3)c(F)c1)C2 918780747 PEXNLJAKMSKQIP-UHFFFAOYSA-N 462.547 2.302 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cc([N+](=O)[O-])ccc3N)cc2F)C[C@H](C)O1 919030492 FLAWPRVCNSPMAS-KBPBESRZSA-N 460.462 2.403 10 20 JECD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1C 919072240 MBJMQABHRVESBU-RBUKOAKNSA-N 472.563 2.164 10 20 JECD CCOc1ccc(NC(=O)CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 920344129 MFVGGSHYYSSDOA-GOSISDBHSA-N 453.543 2.225 10 20 JECD C[C@@H](OC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 920542352 CQMPHNWZFYPSBX-HZPDHXFCSA-N 488.500 2.248 10 20 JECD CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC=C2C(=O)N(C)C(=O)N(C)C2=O)c1 920977810 OKHQSXMKCNBNOM-UHFFFAOYSA-N 472.523 2.257 10 20 JECD CCC[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1)n1cccc1 1777847839 BLVPDKNTAJFCKD-XLNZFTOWSA-N 456.543 2.463 10 20 JECD COc1cc(OC)c(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1 1777851589 ZYDFPGAJLLPYDH-HOYKHHGWSA-N 489.500 2.090 10 20 JECD CCc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)nn1C 1781122317 ZCOYMKONNRCMJA-AUSIDOKSSA-N 476.961 2.488 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1782002682 MBHIXFMCNYJZMY-IBGZPJMESA-N 451.819 2.010 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H]1CCOC1)C2 1783222784 MACMQRWILREVRM-NMAWVRSLSA-N 474.554 2.147 10 20 JECD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)ccc1F 1785006706 GVYGLGXBQXLKLR-VWLOTQADSA-N 480.496 2.071 10 20 JECD O=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)cc3)CCC2)CCN1 1788674003 LTJJSXFPOBKNHP-KRWDZBQOSA-N 473.533 2.440 10 20 JECD Cc1nnsc1C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1788760661 HWZQNZGPUVLFSQ-UHFFFAOYSA-N 461.594 2.455 10 20 JECD Cc1c[nH]c(C)c1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792218104 WOMJKDMYSJESQQ-WZULJKDDSA-N 483.565 2.374 10 20 JECD NC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccccc1 1796123162 HBNQVFVWBKOJQQ-FVTFTPSCSA-N 459.550 2.160 10 20 JECD CCSc1cccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796480948 WULWBJBXNTXJBH-FAQVEIGNSA-N 493.589 2.190 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1797758667 XLZHORKDWIUNHT-JDVWUOGWSA-N 474.558 2.392 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)nc1F)C2)c1cc(O)c(O)c(Cl)c1 1799767223 CBLSRXYDFMYEFC-CULMDFNYSA-N 470.284 2.456 10 20 JECD Cc1cc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1F 1803668001 ZOTDYKCXZWVFBW-CLLJXQQHSA-N 453.536 2.385 10 20 JECD CCOC(=O)N1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CC1 1804119288 XULOXQPHDIDHGQ-NUZGMZIFSA-N 495.580 2.286 10 20 JECD Cc1cnc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cn1 1805556784 XMHWNZBIYBTMKF-NTPDFONASA-N 475.505 2.330 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)nn1C 1805588194 GBLAXPIBQZFITK-YADARESESA-N 485.548 2.236 10 20 JECD C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1813469326 HOYUXSSLUIHNJD-QLVMHMETSA-N 486.619 2.420 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc(O)c(F)c2)[C@H]1c1cccnc1 1814190013 OEMZDXDSGCXDFP-QRWLVFNGSA-N 488.566 2.106 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccc(Cl)o3)sc2C1 1817925545 QEQKPTKQXWELRN-MRVPVSSYSA-N 470.985 2.476 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)nc2F)[nH]n1 1823496786 PAJHSVRNFOGPNE-GFCCVEGCSA-N 480.522 2.249 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1cccc(-n2cncn2)c1 1823721526 DRARYVYBQWIING-AWEZNQCLSA-N 477.506 2.070 10 20 JECD CCN(C)[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1824446671 FKKDSHWRAYKMGZ-CABCVRRESA-N 468.583 2.188 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccccc3)CC1)CCO2 1829847296 IXXXNEKSHOTZIJ-QGVYAHRCSA-N 494.544 2.005 10 20 JECD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)n1ccnn1 1831176887 HBGFNDJFOPZCKR-CGLHPVKESA-N 469.542 2.289 10 20 JECD COC(=O)C1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1831461796 DNJAWYFBAGEPAW-IWHGQQBYSA-N 472.538 2.390 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cccnc1OCC1CC1 1834004542 OIOYUYRYMDDCKI-UHFFFAOYSA-N 495.580 2.176 10 20 JECD Cc1occc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1834142429 QEZLLRLKVCFMIU-OAQYLSRUSA-N 450.875 2.036 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)CC1)c1cc(O)nc(O)c1 1834987630 QKOTYJVGDVDQSU-UHFFFAOYSA-N 456.465 2.021 10 20 JECD Cc1ncc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)s1 1835259502 PLCCEPSFNNCGRA-HWKANZROSA-N 486.594 2.467 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cnn4ccccc34)CC2)CC1 1838031481 FYUAFKUOSZMCTA-UHFFFAOYSA-N 465.510 2.067 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)[C@H]3CCc4ccccc4O3)CC2)CC1 1838031861 SZNHICZUYQEIBW-JOCHJYFZSA-N 481.549 2.499 10 20 JECD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)s1 1839431957 YDNPIOXRTSTVED-NRFANRHFSA-N 482.942 2.205 10 20 JECD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1841582997 LJHXWVQORRRONI-LJQANCHMSA-N 472.611 2.239 10 20 JECD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441184 QYKDVUBUEIQVSC-UHFFFAOYSA-N 483.569 2.286 10 20 JECD Cn1cc(-n2cc(C(=O)N3CCCC34CN(C(=O)c3cc(O)nc(O)c3)C4)c3ccccc32)cn1 1843462210 RJHDORWNGNHSAZ-UHFFFAOYSA-N 472.505 2.301 10 20 JECD C[C@@H](Sc1cccs1)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1844170243 AQYREWLPHXIJPH-GFCCVEGCSA-N 455.652 2.292 10 20 JECD O=C1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc(O)c(O)c2O)CN1Cc1cccs1 1848150927 YNTMMKOWBOKHQD-NATRTMSNSA-N 497.573 2.129 10 20 JECD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1C(N)=O 727245205 WORSACISARPSGR-UHFFFAOYSA-N 466.566 2.390 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CNC(=O)NCc3ccc(Cl)cc3)CC2)cc1 727367323 KNLADFBDXDLTNV-UHFFFAOYSA-N 474.005 2.476 10 20 JECD CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1F 727612060 DUBPYTBQIYKJLN-HNNXBMFYSA-N 468.478 2.220 10 20 JECD C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)C1 731223112 VNJGXFRGRROSKO-RBBKRZOGSA-N 457.619 2.045 10 20 JECD CS(=O)(=O)C1(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CCCC1 750269295 KZGLYCZDWNCXKI-UHFFFAOYSA-N 455.488 2.301 10 20 JECD NC(=O)NCc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 898913794 JLICAWMVHFDITC-UHFFFAOYSA-N 457.442 2.426 10 20 JECD O=C(COC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NC1CC1 913360358 BQTMJUDPRSAJTB-NTUHNPAUSA-N 455.355 2.472 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CN3c4cccc5cccc(c45)S3(=O)=O)cc2)C1 917833480 OUABQFXJIPCWKR-IBGZPJMESA-N 478.574 2.367 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3ccc(F)c(F)c3)cc2F)C[C@H](C)O1 917990574 KZCFTYCVYDPHRJ-GJZGRUSLSA-N 493.482 2.307 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 918303331 DPFHTPFLBPKLNP-UHFFFAOYSA-N 451.571 2.127 10 20 JECD C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)C[C@H](C)O1 918310005 IYGPAJOKCDIEDY-PMACEKPBSA-N 494.592 2.370 10 20 JECD CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 918465849 UEGBUJJAFJVQNF-CBHXRGPZSA-N 478.549 2.220 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)Nc1ccc2nccnc2c1 919799970 MUSKLHNRNOCCBK-UHFFFAOYSA-N 486.511 2.140 10 20 JECD Cc1ccc(-c2nnn(CC(=O)NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)n2)cc1 919855493 UBQCQJSNNGTNOH-UHFFFAOYSA-N 487.543 2.221 10 20 JECD Cc1cc2nc(C(=O)N3CC[C@@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)[nH]c2cc1C 1778929171 YJRXDPKGWRRNEF-CKUSHTOWSA-N 492.532 2.453 10 20 JECD O=C(Cc1ccc2ncnn2c1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1780550217 CTFBVNBHTVGYKK-NTKDMRAZSA-N 499.955 2.164 10 20 JECD CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1)C(=O)O 1780987857 HIVNMXLDHOANJL-QHWMMSMNSA-N 496.608 2.284 10 20 JECD COc1c(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)ccc(F)c1F 1781844383 IMOPGSHGRAXSQY-VWLOTQADSA-N 498.486 2.210 10 20 JECD Cn1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(C(F)F)n1 1782005372 BQBJYOJYLNSDSU-FQEVSTJZSA-N 470.860 2.180 10 20 JECD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)[S@@](=O)c1ccccc1 1782684349 DCQWKZWALZJQSV-UAUDRKICSA-N 492.981 2.391 10 20 JECD Cc1ccncc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1785321995 FZHGTUHDWXFHKV-ICPKNQAFSA-N 481.549 2.133 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnnn4C)[C@H]3C2)cc1 1785465991 BWPIXCIXJZLUEG-RRPUWOKSSA-N 462.554 2.130 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1nccc3occc13)CCO2 1785508544 HOOGXFWNGGCZRE-UQPVFDRXSA-N 465.462 2.102 10 20 JECD CC(C)(C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccn1 1785510574 QOWWZJIBTCLSHP-CFSVISAESA-N 467.522 2.019 10 20 JECD COc1ccc(Cl)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787295270 ARGLUAZDBDAUSD-IWEFOYFVSA-N 461.902 2.062 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1csc(Br)n1 1797173934 CLZSVGUAAGKONK-ILWJIGKKSA-N 489.442 2.018 10 20 JECD Cc1c(F)cccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802077447 GKECFUBHPYTGCZ-NXYNRBCBSA-N 456.470 2.168 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)C1CCOCC1 1806704400 CUNSPZHGSDYCHS-KDYWJBCZSA-N 467.522 2.344 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994343 UQEGBTSWHCQBHN-PLHGULCKSA-N 479.449 2.422 10 20 JECD CCc1noc(C)c1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810940846 QQCLBLLFNJARJZ-VFNWGFHPSA-N 451.483 2.380 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1cc(CO)on1 1811592261 LGIVBOQLEKDPLF-YJYMSZOUSA-N 472.885 2.260 10 20 JECD O=C1CC(C(=O)N2CC[C@H](CNC(=O)[C@H]3CC[C@H](O)CC3)[C@H]2c2cccnc2)=NN1c1ccccc1 1813186779 QYCOWTNLELVUPD-BEVVLCPKSA-N 489.576 2.431 10 20 JECD Cc1nscc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814186596 SVZUIOZJSNLBNW-RDTXWAMCSA-N 475.621 2.026 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc[nH]c4nccc3-4)sc2C1)c1cc(O)nc(O)c1 1816820294 TWTDEOXMHVRHIY-LLVKDONJSA-N 450.480 2.317 10 20 JECD O=C(CSc1ncccn1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1817592506 JMHLFJQLLNROGT-CQSZACIVSA-N 455.500 2.104 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCn2ccnn2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821295335 ORXGNYXJVLVVKO-OAHLLOKOSA-N 459.894 2.462 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cnc(Cl)nc2)CC1 1823635141 MLOAMIONCQUPPY-OAHLLOKOSA-N 482.031 2.224 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823706755 QJVSCFQQBNFQPM-DGCLKSJQSA-N 466.947 2.348 10 20 JECD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1)n1cncn1 1823713203 HIOWIFIYEFSUHY-GXSJLCMTSA-N 462.919 2.286 10 20 JECD CC(=O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1824378389 ZCVILYHJZDFOCV-MRXNPFEDSA-N 453.630 2.082 10 20 JECD Cc1nn(C)c(C)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1824695264 DKLSGWFFKQAVAN-KRWDZBQOSA-N 477.656 2.131 10 20 JECD O=C1CCc2ccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)nc2N1 1827396236 XDPWVKCRFIWEGD-LJQANCHMSA-N 479.537 2.320 10 20 JECD Cc1ccc(C(=O)C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc1 1828249651 KSZJHLBIWDRVAM-CYBMUJFWSA-N 488.616 2.107 10 20 JECD Cc1cc(C)n(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)n1 1832105570 NGOHWOVSRMMMLI-IBGZPJMESA-N 491.683 2.370 10 20 JECD O=C(c1c(F)cncc1F)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901186 RJGPJVMFKSKQEH-MRXNPFEDSA-N 482.578 2.453 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1ccc(F)cn1 1834297690 ZTDRGUKWJLVWMC-UHFFFAOYSA-N 492.555 2.199 10 20 JECD CCc1[nH]nc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1Cl 1837986309 VNOFQAAFUHXGDU-UHFFFAOYSA-N 477.949 2.358 10 20 JECD CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)C1CC1 1841410441 BKUMJHOTXLSIQY-MRXNPFEDSA-N 460.531 2.003 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ccc3cnccc3n2)C1 1843680554 GGWXOUXWWOOMRI-UHFFFAOYSA-N 454.490 2.240 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501285 WMERBQZCMWOFQZ-UHFFFAOYSA-N 468.897 2.361 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)/C=C/c2cc(F)c(F)c(F)c2)C1 1846275563 CNDKWPVTFMVCJI-NSCUHMNNSA-N 469.510 2.181 10 20 JECD CCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc(C3CC3)nc21 105864791 FCRGFZHNBFXYQY-UHFFFAOYSA-N 463.538 2.091 10 20 JECD COc1ccc(N2CCCN(C(=O)c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)CC2)cc1 108427015 LYDVXPUXAMBQBK-UHFFFAOYSA-N 455.536 2.355 10 20 JECD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c1C 727008380 PMFBKMHPXBAYAQ-UHFFFAOYSA-N 458.540 2.149 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)C(C)C)ccc21 728638072 IDNKILOVUDBQAT-WIYYLYMNSA-N 464.584 2.389 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730620930 RIXGJUQKBKXLGB-FQEVSTJZSA-N 467.522 2.079 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCN(C(=O)c2ccccc2)C1 731183246 QZPOGYYICKTPDQ-NRFANRHFSA-N 455.580 2.090 10 20 JECD CN(CCc1ccccn1)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 754398265 YKQICKCNYYZLCP-MOSHPQCFSA-N 484.603 2.302 10 20 JECD Cc1cc(C(=O)CN2C(=O)N[C@H](CCS(C)(=O)=O)C2=O)c(C)n1-c1ccc2c(c1)CCC2 757916464 VPSWMNBEHQOXIL-HXUWFJFHSA-N 457.552 2.121 10 20 JECD O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc(N2CCOCC2)c(F)c1 918215142 BSEYHXCADIKFBK-UHFFFAOYSA-N 476.574 2.446 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc(CN2CCCC2=O)cc1 918310678 NPSSPAXSYGFZIZ-UHFFFAOYSA-N 450.539 2.243 10 20 JECD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 919655195 UDYHDDUUKGXZCR-YLJYHZDGSA-N 487.626 2.199 10 20 JECD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cn(CC(=O)N(C)C)nn3)c2C)cc1 920641401 LBPYBVKQEUDGTF-UHFFFAOYSA-N 453.499 2.212 10 20 JECD CN1CCN(c2ccc(CNc3ccc(S(=O)(=O)N4CCC[C@@H]4CO)cc3)cc2F)CC1 1334276069 GLAPVGSOEWGAQE-HXUWFJFHSA-N 462.591 2.335 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cn3ccc(Cl)cc3n1)C2)c1cc(O)nc(O)c1 1777848564 ZNZHPIZXHOEWSS-UZUQRXQVSA-N 485.928 2.235 10 20 JECD Cn1cc(F)cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1778376073 QRIBIQJCDBJNJF-XHDSPZKDSA-N 473.501 2.122 10 20 JECD CCOc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c1O 1781108644 AFCZXDDFNNKAFR-HOYKHHGWSA-N 471.510 2.038 10 20 JECD O=C(C[C@H]1COc2ccccc2O1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004500 YAKMMEQJDDAMPD-UPCLLVRISA-N 488.924 2.425 10 20 JECD CC[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)N(CC)CC 1782004551 ZZYYYIYGDZBUHR-JTSKRJEESA-N 453.967 2.315 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1782007109 KDGRGPMTUYXIAQ-FQEVSTJZSA-N 453.829 2.182 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3ncccc3c1)C2 1783248240 WBRZWKCJIPXFCZ-NTKDMRAZSA-N 498.630 2.223 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)[C@H]1C[C@H]1c1ccc(F)c(F)c1 1784158514 AYMHWXRCNJFWIB-ZZKADIETSA-N 473.476 2.168 10 20 JECD Cc1nc2cccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)c2s1 1787291876 ILZWXJOKQFEKLQ-OWQGQXMQSA-N 468.535 2.318 10 20 JECD CSCC[C@H](O)C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1791620416 BIECWXAGTPEPFJ-HNNXBMFYSA-N 467.638 2.095 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)[C@H]1C[C@H]1c1ccc(F)cc1 1804334816 WGHOKWWPRVTHTM-ADHGMGHFSA-N 461.584 2.428 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccccc1OC(F)F 1804339869 AVFOMSPDAYKTLZ-CLLJXQQHSA-N 469.535 2.400 10 20 JECD CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cn1 1805338405 KUDLZUQKVNPJNA-KKSFZXQISA-N 483.619 2.219 10 20 JECD O=C(Cc1cnc[nH]1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1808257218 ZDBJLWROWNVFIP-XOBRGWDASA-N 455.902 2.432 10 20 JECD O=C(C[C@@H]1CNc2ccccc2O1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810209011 COWAUOCLWPODLS-SXMMONRFSA-N 489.532 2.471 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)ccc1O 1811019802 SIUGELKCAZZKDP-UTKZUKDTSA-N 484.603 2.276 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc(OCCCO)cc1 1811380041 SOKQDSXMZCMODO-DVECYGJZSA-N 492.532 2.282 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(-n2nccn2)c1 1811445710 INENHHSZQGSNAT-UUOWRZLLSA-N 499.531 2.410 10 20 JECD Cc1nccnc1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814163510 FUELCUOJEKRKEO-DPLQINJDSA-N 475.505 2.330 10 20 JECD CCCC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814163686 IFGSPPCQNANMDI-NAKKSDAYSA-N 496.564 2.222 10 20 JECD Cc1cc(C)nc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1814189485 QPYQIQSWJSRRDR-LAUBAEHRSA-N 483.619 2.273 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cccc3[nH]ncc23)[C@@H]1c1cccnc1 1814189810 ZNSMSRGUJUGBSL-QVKFZJNVSA-N 494.602 2.138 10 20 JECD C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814191598 LYZAYHDLEVXXNU-LDBYXDLTSA-N 486.619 2.420 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@@H]1CC(=O)N(C2CCCC2)C1 1815612364 NQPSFSOQLHHMNV-QAPCUYQASA-N 482.541 2.313 10 20 JECD O=C(Cc1ccc2c(c1)CCO2)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816729077 QHUYDXZVBLIMEE-HNNXBMFYSA-N 466.519 2.353 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c3c2OCO3)[nH]n1)c1cc(O)nc(O)c1 1817847545 KOBGXOXAMXBDGY-AWEZNQCLSA-N 496.436 2.473 10 20 JECD Cn1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c(C(F)F)n1 1818374064 WVQDMOMYBWQDGJ-LBPRGKRZSA-N 497.553 2.247 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cnn3ccccc23)[nH]n1 1823498849 WTBTXQCFASZSFM-MRXNPFEDSA-N 483.579 2.224 10 20 JECD CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823712765 WXHOYNKVXYWYIW-GWCFXTLKSA-N 464.931 2.054 10 20 JECD Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)nc1 1833823561 KVJNFGMLLFUWRB-UHFFFAOYSA-N 467.570 2.014 10 20 JECD COc1cccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1C 1834988452 USOQDFSKMFIGRX-UHFFFAOYSA-N 468.554 2.309 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNc4ccccc43)C2)C1 1839434150 QZCXXWJMZOHUIV-BXKMTCNYSA-N 487.940 2.031 10 20 JECD CC[C@H](C)NC(=O)CN1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 726722348 QLBUBBSUQJRJSV-KRWDZBQOSA-N 467.561 2.499 10 20 JECD C[C@@H](NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1ccc(N2CCOCC2)cc1 726793653 LDAOOEGBSKOCML-QGZVFWFLSA-N 465.597 2.103 10 20 JECD CCOC(=O)CSCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 727099939 GUVSOOQVOAFIEV-NVNXTCNLSA-N 468.578 2.029 10 20 JECD COc1ccc(CCNC(=O)CSc2ccccc2C(=O)N2CCS(=O)(=O)CC2)cc1OC 728716645 HXNBDDOLSUGGQM-UHFFFAOYSA-N 492.619 2.025 10 20 JECD CC1CCN(c2ccc(CNC(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)cc2)CC1 731118348 ZXSOFNBLXSERAD-UHFFFAOYSA-N 463.582 2.494 10 20 JECD CCN(CC)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1F 731373025 FXUFOSQNTXTMEF-UHFFFAOYSA-N 465.547 2.428 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1 743433111 WUBDMEBNLWUYQQ-UHFFFAOYSA-N 493.467 2.082 10 20 JECD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 746989058 BWPZAYGKNJOMHE-UHFFFAOYSA-N 499.511 2.342 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)O[C@@H]1CCS(=O)(=O)C1 747347071 ZEQLMDVRKWRHJI-BFTHVDOESA-N 476.395 2.381 10 20 JECD COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 917380625 HYJCCPJJBKZXBS-UHFFFAOYSA-N 473.473 2.128 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)C1 917832080 IOWMRUJQZYUBTD-QFIPXVFZSA-N 498.649 2.422 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)C1 917833455 OFUSPAUUFYHQRQ-OAQYLSRUSA-N 484.622 2.493 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CC(=O)N(Cc4ccc(C)cc4)C3)nc12 918831142 WTWDAXAQEHTXTL-INIZCTEOSA-N 452.467 2.012 10 20 JECD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)c1C 918842805 SFFJMHZGWBXVRO-UHFFFAOYSA-N 454.508 2.098 10 20 JECD CC(=O)N1C[C@H](C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)Oc2ccccc21 918895805 FSTGIILULNICNT-WOGXIUBCSA-N 499.539 2.413 10 20 JECD Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 919568525 GBBOLBWDQQUTPM-UHFFFAOYSA-N 479.566 2.338 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 920195278 ORSXQDCFELAWQA-UHFFFAOYSA-N 450.398 2.288 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCOc1ccccc1)C2)c1cc(O)nc(O)c1 1777847843 SAOKIDKHFJSDQT-NTKDMRAZSA-N 455.511 2.089 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)C2)c1cc(O)nc(O)c1 1777850479 FCSINGPMGWGZBV-TXNPELCJSA-N 451.523 2.424 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1779629759 AQLMWLXQWUTIMC-QHCPKHFHSA-N 483.912 2.294 10 20 JECD CC(=O)N[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)C(C)(C)C 1781119360 HJEVIJAVPWUKIA-DRMXPCRNSA-N 496.004 2.430 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cn3ccccc3n1)C2 1783222414 TVWUIWCIMZZRDA-LEKYLPEBSA-N 492.532 2.292 10 20 JECD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1)n1cnnn1 1791920151 YIMAAJPDNBJDMG-DEYRLNKFSA-N 464.482 2.198 10 20 JECD COc1ccc([C@@H](O)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1792792475 FCNPVRNUUDABMH-LQZJLRLTSA-N 468.506 2.197 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)c(Cl)c1)C2)c1cc(O)nc(O)c1 1796139780 ORLKBTMWPBTAFI-IVWMJMPLSA-N 452.294 2.317 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cc[nH]c3c1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479832 YFQWMAFCFLGTHC-NHKMSHSESA-N 471.517 2.164 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)C1=NO[C@@H](c2ccccc2)C1 1797176346 CAHHCUHCDCKPAL-VAKZPMALSA-N 485.924 2.472 10 20 JECD O=C(/C=C/c1cccc(O)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1800590571 MELLAEAYULJEED-BZGPJFGBSA-N 458.898 2.373 10 20 JECD Cc1cc(F)c(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c1 1804335674 BFNGEWQDROOENB-CLLJXQQHSA-N 453.536 2.385 10 20 JECD CCOc1ncc(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804336051 RBERMXULUHXIGM-BTTYYORXSA-N 483.015 2.246 10 20 JECD CC(C)c1cc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)no1 1806013787 VMLAIHFQIYLNDN-FOIQADDNSA-N 487.607 2.373 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2n[nH]c3c2CCCC3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994061 NNWGJDXTFAFASG-QRQCRPRQSA-N 462.510 2.123 10 20 JECD CCNC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1810244413 QXZBYGSCKKFISZ-MUKKUYKPSA-N 489.960 2.173 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccn1 1813508617 KOCDODYMQLEHNC-WJPUGNRLSA-N 483.619 2.146 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)/C=C/c2cccc(O)c2)[C@H]1c1cccnc1 1814190310 WLIPSDDBJJZGHZ-XVXCJXIKSA-N 496.614 2.367 10 20 JECD Nc1nc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)cs1 1815123680 AQWPATRAOXYTQN-NSHDSACASA-N 481.563 2.201 10 20 JECD CN1N=C(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CCC1=O 1815626015 VATMVQVAEWPRCU-HNNXBMFYSA-N 474.905 2.388 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCOC1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817366780 GFTZZRRAAMTTHQ-LSDHHAIUSA-N 467.551 2.275 10 20 JECD Cc1cc(C)n2ncc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cc(O)nc(O)c3)CC4)c2n1 1818240460 VZYYRCNRDGWEPF-ZDUSSCGKSA-N 479.522 2.148 10 20 JECD CN(C)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cn1 1819938981 SYNLSNDBMDRCIH-INIZCTEOSA-N 451.487 2.297 10 20 JECD Cn1ccc2c(O)ncc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)c21 1820092329 YFDZFPUPMDPGOI-MRXNPFEDSA-N 477.481 2.428 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1820147800 KTUQGCVWSQQNET-GXSJLCMTSA-N 464.931 2.124 10 20 JECD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)n1cccc1 1822679326 MEEJBCLZRWWSLI-DZGCQCFKSA-N 460.585 2.325 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)c2csnn2)[nH]n1 1823476385 AWKHQFBWPFIRIJ-HZRUHFOJSA-N 456.484 2.397 10 20 JECD O=C(Cc1cc(F)ccc1F)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1828005425 YAGACEVKAPTUDR-GFCCVEGCSA-N 496.586 2.436 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3nc[nH]c13)CC2 1828242873 UHKJROZCRAEMOU-SNVBAGLBSA-N 486.604 2.106 10 20 JECD Cc1ccccc1C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1836255311 NEBGITIESNGJLT-UHFFFAOYSA-N 474.652 2.041 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)c2cccnc2)C1 1842393064 LFEWLJROLXAJPM-LJQANCHMSA-N 496.564 2.446 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)C2CCOCC2)C1 1842760367 MFUKIDVLJBTPQB-OAQYLSRUSA-N 486.613 2.335 10 20 JECD Cc1cc(Br)c(N)cc1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249649 HOPADHJNXVNZBL-UHFFFAOYSA-N 461.316 2.277 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 1844783190 MDMPUEZLTAHHIT-UHFFFAOYSA-N 490.010 2.407 10 20 JECD O=C(CSc1ncccn1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 18218995 NQDJNIUGHZZZIG-OQLLNIDSSA-N 460.562 2.315 10 20 JECD C[C@H](OC(=O)CNC(=O)c1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 727542638 XBSNEJGJJCRBBC-AWEZNQCLSA-N 472.453 2.468 10 20 JECD CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 727599013 QFDIKNHPDYVZQU-LJQANCHMSA-N 489.642 2.176 10 20 JECD O=C(COC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NC1CCOCC1 728092869 KYNQBUBWIWQEBU-OQLLNIDSSA-N 499.408 2.489 10 20 JECD CC1CCN(c2ccc(CNC(=O)c3cc(S(=O)(=O)N4CCOCC4)cn3C)cc2)CC1 731016484 TVQQSDOERVTREM-UHFFFAOYSA-N 460.600 2.212 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)cc2F)C[C@@H](C)O1 747841253 BHMRMPABQMJYHM-GASCZTMLSA-N 462.547 2.108 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnnn3CC(F)(F)F)cc2F)C[C@@H](C)O1 750958657 NITVHBBEMVOMMQ-TXEJJXNPSA-N 462.473 2.397 10 20 JECD CON(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 916674060 LTSWSZCACSJDOV-UHFFFAOYSA-N 462.572 2.399 10 20 JECD CC[C@H](C)NC(=O)CN1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 918221843 RTQKBYIUHOUWPM-GBESFXJTSA-N 463.598 2.181 10 20 JECD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 918286399 HQVFLOZIXZMJLW-HOTGVXAUSA-N 486.544 2.405 10 20 JECD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 918294640 QVZGMBOZVHAXSF-UHFFFAOYSA-N 457.508 2.403 10 20 JECD Cc1cc(C(=O)COC(=O)Cn2c(O)nc3ccccc32)c(C)n1-c1ccc(S(N)(=O)=O)cc1 919353544 AXMPMAYGSSZBBB-UHFFFAOYSA-N 482.518 2.223 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)c1 919816488 FJYXYZZFIWASBS-LBPRGKRZSA-N 497.371 2.412 10 20 JECD CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781755201 HCYMEICCDOFNJS-KBMIEXCESA-N 452.555 2.062 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cnc3ccccc3n1)CCO2 1782005625 RLABGCPDQUEOBQ-QHCPKHFHSA-N 468.897 2.452 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@H]1Cc2ccccc2CN1 1787455398 MBMFEEAPUNTDFE-QTUQIOHYSA-N 485.968 2.059 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccn2ccnc2c1 1788360401 ZAGUVCOZZWLBHG-QOKNQOGYSA-N 470.913 2.306 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1n[nH]c2cccc(F)c12 1790483168 USUBLRLDHAJPAQ-KGDAJWNSSA-N 496.495 2.126 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCCS4(=O)=O)[C@H]3C2)cc1 1790750039 FJNIDTNWAXTHCG-BIHRQFPBSA-N 499.633 2.265 10 20 JECD CC(C)(C)OC(=O)N1[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C[C@@H]2C[C@@H]21 1793128935 SBTLPNAKHHWIDA-LGAZQOAISA-N 472.542 2.143 10 20 JECD Cc1csc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796480459 IFAQFLZVOLFXTI-VPTLXERWSA-N 452.536 2.053 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc2c(c1)OCCO2 1796791265 FVOLUNVZDOBICG-YVWYUNDQSA-N 474.897 2.039 10 20 JECD Cc1cc(F)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1799505815 XNRHQNGZANWDQI-FEJSZKPUSA-N 464.497 2.130 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(=O)NCC(C)C)C3)cc1 1799620706 RUGFRBXGXGNONA-IUTQVRIDSA-N 466.582 2.070 10 20 JECD O=C(Cc1cccc(Cl)n1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804699937 MKBPOHIZEDUJCG-QRQCRPRQSA-N 467.913 2.499 10 20 JECD CC(C)NCCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1807329621 RMRKYRJQLCQGSE-BIUKZJPMSA-N 468.554 2.306 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1cnoc1 1808521691 NBJREBFZXXPCHN-VGSWGCGISA-N 458.478 2.182 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccn2ccnc2c1 1809873720 JIFWXXUBWNXEOF-VGOFRKELSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc2cccnc2nc1O 1812111424 PJQCYHVDGJEBAR-HRAATJIYSA-N 486.488 2.170 10 20 JECD Cc1cccn2ncc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c12 1812269640 CWVNIGGDMADGPZ-GAJHUEQPSA-N 472.505 2.477 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3CNc4ccccc43)sc2C1)c1cc(O)nc(O)c1 1815032329 OQMWVTLFUIAMGT-TZMCWYRMSA-N 451.508 2.384 10 20 JECD COc1ncccc1CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816721466 LRFGWPYPPMHLIH-CQSZACIVSA-N 469.523 2.212 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccncc1F 1818398438 IQLZTJVNGZOPIH-CQSZACIVSA-N 462.532 2.110 10 20 JECD CCc1noc(C)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1819843560 DWJPSURHXQBRNH-CQSZACIVSA-N 476.584 2.435 10 20 JECD COc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c(O)c1 1823499982 IPJJTPPGTAEPHM-HNNXBMFYSA-N 489.579 2.290 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cccc4ccnn34)sc2C1)c1cc(O)nc(O)c1 1823927655 RHKQPBIHJDBZKK-LBPRGKRZSA-N 450.480 2.137 10 20 JECD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429010 NHRNXKMLARBFMN-VAMGGRTRSA-N 471.554 2.482 10 20 JECD N[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)c1ccccn1 1827715305 KZPAUSFHWBWCTA-NOZRDPDXSA-N 488.592 2.494 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3n[nH]cc3c1)CC2 1828242527 KLONJTWUHIXFEW-LBPRGKRZSA-N 486.604 2.106 10 20 JECD O=C(c1cc2ccccn2n1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901453 DRGWHHDMXPSBLR-LJQANCHMSA-N 485.635 2.428 10 20 JECD COc1cscc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834986936 LKZLZNGZDURDKT-UHFFFAOYSA-N 460.556 2.062 10 20 JECD COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1835032461 UEZZPIMOVMIHRP-XMMPIXPASA-N 490.940 2.073 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 1838030200 FARBNADFSULZNR-UHFFFAOYSA-N 488.472 2.466 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnn4C)C3)C2)cc1 1839348503 CZITWQXBCJSVQY-AREMUKBSSA-N 477.565 2.211 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(O)c1 1839435532 NBBHGMCVWWUYRK-HSZRJFAPSA-N 476.913 2.149 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc(-c3ccccc3)on2)C1 1840995798 SUYQAPSMMNYBPF-UHFFFAOYSA-N 456.549 2.019 10 20 JECD COC(=O)N[C@@H](C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccccc1 1841239408 GGPRRJUWPYIFNZ-WAEYIKQSSA-N 481.505 2.117 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)/C=C/c1cnc[nH]1)C2 1843331623 QTBQGONTTLYZCM-LCCNJJIFSA-N 494.596 2.345 10 20 JECD CC1=NN(c2ccc(C(=O)N3CCCC34CN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)cc2)C(=O)C1 1844961386 HRQUIZHEKLDOBE-UXBLZVDNSA-N 490.516 2.446 10 20 JECD C[C@H](C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)[S@](=O)c1ccccc1 1847039521 YMJNUHYNWWPKBR-BBZQSPJTSA-N 470.547 2.216 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3cc(-c4ccccc4)on3)cc2)C1 116418831 LBQVGMFOGCXJBI-LJQANCHMSA-N 461.522 2.090 10 20 JECD C[C@]1(c2ccc(CNC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2)NC(=O)NC1=O 726282731 QYHADDXOPUWYNU-NTKDMRAZSA-N 452.511 2.338 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1(C(=O)NC2CC2)CCC1 729333238 SPBKREKBIPYHFB-UHFFFAOYSA-N 452.534 2.007 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@H]1CCN(CC2CC2)C1 731119594 KQRBJJGKIBFEOS-FQEVSTJZSA-N 453.566 2.226 10 20 JECD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NCc2ccc3c(c2)CCCN3C)CC1 746981159 MIRWXANZWNEHAH-UHFFFAOYSA-N 459.591 2.386 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)O[C@H]1CCS(=O)(=O)C1 747347070 ZEQLMDVRKWRHJI-ALFJJAPYSA-N 476.395 2.381 10 20 JECD CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916632520 XCTJOSADUDVFAB-QGZVFWFLSA-N 478.537 2.155 10 20 JECD O=C(CCCNC(=O)c1ccc(Cl)cc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 916676818 URVYSRSNYSGUAV-UHFFFAOYSA-N 463.987 2.401 10 20 JECD COc1ccc(CSCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1[N+](=O)[O-] 918644793 KUTBWEAQHJGRHD-UHFFFAOYSA-N 479.580 2.388 10 20 JECD C[C@@H](NC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)N1CCCCC1 918848846 YHCDFKHKPTXBHR-CQSZACIVSA-N 493.472 2.044 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CCC(=O)N3CCc4sccc4C3)CC2)cc1 919601657 STMZMWFFWAHASO-UHFFFAOYSA-N 471.579 2.314 10 20 JECD CCN1CCC[C@H]1CNC(=S)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919717166 WHOFUYNWCIJACA-IBGZPJMESA-N 457.623 2.391 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCN(CC2CC2)CC1 919783296 RFAJNTZPJRAZDM-UHFFFAOYSA-N 453.566 2.180 10 20 JECD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 1522732577 WMHCPOQUWRJMNV-UHFFFAOYSA-N 452.941 2.378 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1OCCc3ccccc31)C2)c1cc(O)nc(O)c1 1777849305 SFROFGYTQUETRM-IPVFLDMMSA-N 481.549 2.324 10 20 JECD COc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)ccc1F 1777851645 NLTSCECONSDTPL-WZONZLPQSA-N 459.474 2.082 10 20 JECD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1)n1cccc1 1778127624 UGSNWKLGUWJCOJ-IATMXGELSA-N 477.565 2.356 10 20 JECD Cc1c[nH]cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1778204813 YZHZYVVGSCXZLT-XHDSPZKDSA-N 455.511 2.281 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1csc(Br)n1 1778350339 AJHSHGVOKSCTPV-BFUOFWGJSA-N 497.371 2.153 10 20 JECD CCSc1cccnc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1780262486 RVYWCZOQVVJHNF-UZUQRXQVSA-N 472.567 2.441 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)cc1 1781755893 VGIKABLBNJNKCH-RLWLMLJZSA-N 464.566 2.064 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H]3CNC(=O)C3)C2)cc1 1781779545 DGXKXAJNDWFERV-WHCXKFMVSA-N 478.593 2.358 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3onc4ccccc34)C2)C1 1782349108 CNGLPWMOHKQGPM-HLZSCNFSSA-N 465.462 2.102 10 20 JECD COc1cscc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785505961 VHCJHFUSIYUCEQ-WTCGPSRQSA-N 460.508 2.030 10 20 JECD CC(C)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)on1 1785506962 GZUNOHXXMJCMHF-DOHLAZSCSA-N 457.483 2.072 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccs3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539013 DQNCFELOGFKJQA-LRQRDZAKSA-N 466.563 2.063 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787541421 NZSMGZKELURSKP-MWYJAUPDSA-N 489.576 2.033 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1[nH]cnc1-c1cccnc1 1789195021 MCYVTNNCGOKGJX-QOKNQOGYSA-N 497.939 2.443 10 20 JECD O=C(Cc1cc(F)ccc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1792133367 AYJOBPMJTWCEMF-GRWTVWFQSA-N 496.514 2.280 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)n(C(F)F)n1 1792217681 HFMVHMSJRQSZJQ-KOSDZWPSSA-N 492.479 2.010 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3cccnc13)C2)C1=NN(c2ccccc2)C(=O)C1 1796479813 WIDZGCCLYPGGNY-NHKMSHSESA-N 483.528 2.231 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccc(CO)c(F)c1 1796935449 KTAWOUXSDLFZLQ-FNLKRUPLSA-N 464.497 2.363 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1801982078 SVAHLSGDXZINLD-SKASMJOVSA-N 472.542 2.144 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCCC1(F)F)C2 1802078425 BAQBVNNIEIDIQC-DMSOZEQRSA-N 466.481 2.232 10 20 JECD CCOc1ncccc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1802319641 UWKYIMCYOFQEAP-OXJNMPFZSA-N 499.618 2.055 10 20 JECD Cn1cc(CCC(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cn1 1807433731 JNAOGZCPZSLHFM-OLPMWWICSA-N 491.548 2.284 10 20 JECD COCc1oncc1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1808824335 ZAYXAXAYOUVOGV-FERYEXAHSA-N 494.504 2.366 10 20 JECD Cc1ncc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)s1 1813373341 DXWCDLTVXGWPBL-YCRPNKLZSA-N 453.524 2.215 10 20 JECD Cc1nn(C)cc1C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817363155 GIXKVBZLGVBPKW-AWEZNQCLSA-N 477.550 2.204 10 20 JECD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)n1cccc1C=O 1817492791 VUJMBQYXJOQPRV-XJKSGUPXSA-N 488.595 2.137 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ncn(-c3ccccc3)n2)[nH]n1)c1cc(O)nc(O)c1 1817845189 FPFDTUPJIBSGJT-QGZVFWFLSA-N 474.481 2.416 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cnc3snnc3c2)[nH]n1)c1cc(O)nc(O)c1 1817846136 IXNYMHVPGAIVHP-CQSZACIVSA-N 466.483 2.235 10 20 JECD C[C@@H]1CC[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)O1 1818731424 MMLBBFMSIRTESF-HBUWYVDXSA-N 467.551 2.416 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)OCO3)[nH]n1 1823497952 JGHXRWXHXKSGFT-AWEZNQCLSA-N 487.563 2.305 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1826806882 TYAIDDFCYIENSU-YPMHNXCESA-N 455.496 2.038 10 20 JECD Cc1nn(C)c(C)c1CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428767 ILHOCFHMTONKSX-FQEVSTJZSA-N 455.559 2.319 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc4cnccc4[nH]3)CC2)CC1 1838029935 SFPNPAPEVYZQPN-UHFFFAOYSA-N 465.510 2.295 10 20 JECD O=C(Cc1cccc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431837 PZEAERCIDFAHEM-HSZRJFAPSA-N 478.904 2.203 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)Nc3cc(OC)ccc3NC(C)=O)nnc2n1 108872074 ZXBBSQHMNUISPQ-UHFFFAOYSA-N 459.536 2.081 10 20 JECD CN(CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 728207006 DYBIKBQRCNUHHN-UHFFFAOYSA-N 466.003 2.486 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C[C@@H]3c4ccccc4CCN3C(C)=O)CC2)cc1 742927659 WWQGESZGGNMYRJ-RUZDIDTESA-N 450.583 2.469 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(Cc4cscn4)CC3)cc2F)C[C@H](C)O1 744201266 WAHSZRRBBNYZHR-ROUUACIJSA-N 461.607 2.330 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCn3cc(S(N)(=O)=O)cn3)c2C)cc1C 749326618 NNHMPMYZCJUXRI-UHFFFAOYSA-N 458.540 2.371 10 20 JECD CN1CCN(C(=O)c2ccccc2NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 916677572 WZIMJKOZUSERED-UHFFFAOYSA-N 455.534 2.372 10 20 JECD CCNC(=O)COc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 918032694 PWWRRAKREGKJPS-SFHVURJKSA-N 453.543 2.225 10 20 JECD COC(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 918275436 WAIHMRVEDPXXTR-UHFFFAOYSA-N 495.454 2.349 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CCN3C(=O)COc4ccccc43)cc2F)C[C@@H](C)O1 919005539 DTFALYIRJLSLGZ-QZTJIDSGSA-N 499.539 2.414 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc(N2CCOCC2)cc1 920927327 UBUIHMWTBIYIHV-HNNXBMFYSA-N 495.001 2.243 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)Cn4cncn4)C3)C2)cc1 1779226599 KFDYBIKXYHPQGL-SIBVEZHUSA-N 476.581 2.465 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1780128686 UOLMPRNDIRBMQQ-XMMPIXPASA-N 490.940 2.270 10 20 JECD COc1cc(C)cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1781487754 NJTVCVGGVPGLKN-BFHGXFJZSA-N 468.506 2.277 10 20 JECD C[C@H](CC(N)=O)C(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788671516 UNKPMAOVZUBOIT-MRXNPFEDSA-N 461.522 2.425 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)C(=O)c1ccc(Cl)cc1 1792948502 IOEWPMZTFXPTKI-ZSBFGKGUSA-N 479.316 2.491 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnnc(Cl)c1)C1=NN(c2ccccc2)C(=O)C1 1794501209 GNNWTUYKCFLFLF-ACHSLPGTSA-N 452.902 2.175 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1cc(Br)ncc1F 1796601311 SSRSALSHAFHPEE-ZSBIGDGJSA-N 465.279 2.355 10 20 JECD Cc1noc(N)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799619995 GMPBPDHOACSKNU-HATOLVCRSA-N 463.538 2.490 10 20 JECD O=Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)s1 1799770863 PTVRRHWNHBCNSK-DPIQGUFMSA-N 450.900 2.142 10 20 JECD CCn1nc(C)cc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807992606 DFLUEPHIPGGSKO-KKSFZXQISA-N 450.499 2.046 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(-n3ccnc3)ccn2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994627 KCUWOZFCLCSUJZ-HXOBKFHXSA-N 485.504 2.102 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3cncn3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995219 FCRPPFFIIKVDCK-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD O=C(NCCC(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1)c1ccccc1 1810549899 KJDMUOYKLJAITL-UHFFFAOYSA-N 466.538 2.158 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1noc2c1CCCC2 1817865815 FYXCNUGUQVXTMG-CQSZACIVSA-N 488.595 2.443 10 20 JECD C[C@@H]1CCc2c(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)CN3C(=O)CSC3=S)CC4)n[nH]c21 1818343985 AOOGKGUSJXXSEA-NXEZZACHSA-N 490.636 2.002 10 20 JECD CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821294303 BMZWIMPVCOSYGY-GJZGRUSLSA-N 461.906 2.401 10 20 JECD O=C(c1[nH]nc2ccncc12)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827425892 CLYZNAAYCKNBFN-GOSISDBHSA-N 450.499 2.311 10 20 JECD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1839912885 LUAGLWVAYIFMDA-RBZJZWSTSA-N 494.592 2.062 10 20 JECD CC(C)OC(=O)c1ncccc1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441346 LJYWMFKCENNYQG-UHFFFAOYSA-N 489.532 2.257 10 20 JECD O=C(C[C@H]1COc2ccccc2O1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034132 BBLCIOUWSXDDEB-LKUPDRCFSA-N 466.490 2.250 10 20 JECD COc1ccc(N2CCN(C(=O)C[S@@](=O)Cc3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1 729876340 HRCODGUJUAKLNZ-UMSFTDKQSA-N 484.534 2.071 10 20 JECD COc1cccc(OCc2nnc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)n2N)c1 749860194 MYEKYWAXUDUZLQ-UHFFFAOYSA-N 456.572 2.396 10 20 JECD Cc1cc(NC(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)n([C@H]2CCS(=O)(=O)C2)n1 914903358 LGBTWIQYTGKPNF-KRWDZBQOSA-N 471.539 2.149 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(C(=O)N(C)C)c3)cc2F)C[C@@H](C)O1 918288064 SRSIPCCQUJSAGL-HZPDHXFCSA-N 456.518 2.396 10 20 JECD C[C@@H]1Oc2ccc(NC(=O)C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc2NC1=O 918288975 YIBZXNQMDZJEFJ-KFWWJZLASA-N 470.501 2.414 10 20 JECD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 919135093 NTKWDLFECJCONZ-UHFFFAOYSA-N 482.470 2.115 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 919790652 VUCXFPGSUNSVIO-UHFFFAOYSA-N 480.537 2.018 10 20 JECD CCN1C(=O)C(=CN[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)C(=O)N(CC)C1=S 920980213 CYRJWCDMWUDFNT-HNNXBMFYSA-N 466.629 2.247 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/C1CC1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126646 HFLPWWHBIXNYIY-RMMGLSDRSA-N 450.539 2.259 10 20 JECD C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)NC(=O)OC(C)(C)C 1782003009 YUSYDIGUHAKANC-QKFKETGDSA-N 497.976 2.498 10 20 JECD O=C(c1cc(O)nc(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004634 IXYLERJMNSYWFA-FQEVSTJZSA-N 468.293 2.263 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc(Cl)cc3nn[nH]c13)CCO2 1782007181 LIYQBRAPLBAJFI-OAQYLSRUSA-N 492.319 2.433 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)C(F)(F)c3ccco3)C2)C1 1782728543 YQRCITZDBTYRII-LWQICCLCSA-N 464.421 2.032 10 20 JECD O=C(CCc1ccc(OC(F)(F)F)cc1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783031526 ZPSKXQNCVKQNBB-QFIPXVFZSA-N 495.454 2.468 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1783321348 FYWRIUONLAQDSZ-SIBVEZHUSA-N 476.533 2.077 10 20 JECD CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)N(CC)CC 1784627520 LOYLHDGTISXZPP-LLYILUEJSA-N 467.994 2.465 10 20 JECD COCc1oncc1C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1788832767 VPKXJSUZVGWRDW-UHFFFAOYSA-N 474.564 2.429 10 20 JECD Cc1ccc(O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1 1789491015 KGLHMTIMORJHHZ-GAIIMQAISA-N 468.506 2.124 10 20 JECD Cc1cccnc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1793994372 WNVPRDJHSOBEHR-VPTLXERWSA-N 459.930 2.291 10 20 JECD CC(C)(C)OC(=O)NCc1ccnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)c1 1796599496 RLIFDSXFPTYVGX-BCDXTJNWSA-N 497.552 2.478 10 20 JECD CCOC(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1796935411 GTHLXCXTAABALW-NUZGMZIFSA-N 495.580 2.286 10 20 JECD COc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1802807195 DEJRMXRXYUOWQO-MZNJEOGPSA-N 478.505 2.295 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc(F)s1 1804738973 MOVNIUUYHOZLJC-UGSOOPFHSA-N 478.596 2.462 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2COc3ccccc3O2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993664 LLBHXYVAFDBZMB-LERMDLETSA-N 476.489 2.047 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnn3c2CCC3)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468858 FLBFTFXBRLBZRK-DFBJGRDBSA-N 497.559 2.337 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)Cc2ccccc2)[C@H]1c1cccnc1 1814185593 CXBVECXXOGKRIP-AVRDEDQJSA-N 468.604 2.190 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)cco1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817362253 JEJHXLAXFFNNOJ-ZDUSSCGKSA-N 477.502 2.115 10 20 JECD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848579 QUFVFNHUBQYMKB-KDOFPFPSSA-N 478.509 2.340 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3c2CCCC3)[nH]n1 1823497463 FAONEJCJPMLBJS-OAHLLOKOSA-N 487.611 2.178 10 20 JECD CC(C)n1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)n1 1823499836 AGBAESVLXFNOLI-HNNXBMFYSA-N 475.600 2.353 10 20 JECD CC[C@H](NC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827036963 MRARRUOJMQTCNM-RBBKRZOGSA-N 453.587 2.397 10 20 JECD O=C(c1nc(O)n2c1CCCC2)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428575 WWUYHJNZQQMUEE-KRWDZBQOSA-N 469.542 2.278 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3CCC3)C2)C1 1829037471 LVKIXSBKAQMLML-AREMUKBSSA-N 494.548 2.359 10 20 JECD C[C@](O)(CC(=O)O)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1831864465 JDBCFVIXUSIZPM-HFZDXXHNSA-N 498.580 2.015 10 20 JECD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1)n1cnnn1 1832294410 OYVOXLYUANNRIP-SUMWQHHRSA-N 462.938 2.232 10 20 JECD C[C@@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)O1 1832902119 KYHSJZSJJCJQHP-DJIMGWMZSA-N 453.630 2.034 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@]3(F)CCCC=C3F)CC2)CC1)c1cc(O)nc(O)c1 1834988640 YBGWTLSJMNEAFH-QHCPKHFHSA-N 464.513 2.424 10 20 JECD C/C=C(/C)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835133877 HLLYXAXARCMTHQ-ZUWFHJRGSA-N 451.571 2.317 10 20 JECD COc1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1838877146 XLPHREYSBJIQLX-HSZRJFAPSA-N 476.913 2.144 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)cc1 1839348973 WTMVKIKOBFMTDZ-MHZLTWQESA-N 489.576 2.197 10 20 JECD CO[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)c1ccccc1 1839431676 HMBLVZYTOJUTBK-URXFXBBRSA-N 490.940 2.209 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc([C@]4(C)NC(=O)NC4=O)cc3)cc2F)C[C@@H](C)O1 726235332 ZOAVBSHLUHSSNK-RVFQGNMQSA-N 483.544 2.493 10 20 JECD Cn1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)n1 727353403 SCZXKXMBQILIFT-UHFFFAOYSA-N 464.525 2.183 10 20 JECD CCS(=O)(=O)Nc1ccccc1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 743746913 WKOAIGXNBPPCCL-UHFFFAOYSA-N 460.600 2.399 10 20 JECD CCC(CC)[C@H](CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)N1CCOCC1 918005831 KGNGYYXHRHULLV-GGAORHGYSA-N 459.635 2.325 10 20 JECD O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918613074 RTDXWMSOKFCKKN-HNNXBMFYSA-N 452.520 2.079 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3ccc(N4CCCC4=O)cc3)CC2)cc1 920253922 FCFACHZSQZINFG-SEYXRHQNSA-N 462.550 2.343 10 20 JECD Cc1sc(=O)n(CC(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C 920413192 PBUFEOINXMRCBN-ZIAGYGMSSA-N 465.547 2.139 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 920927412 XJJMQYOCFLOWBG-HXUWFJFHSA-N 466.582 2.214 10 20 JECD O=C(c1cnc(-c2ccccn2)nc1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005154 WPDIZBXTVAORRZ-XMMPIXPASA-N 495.923 2.361 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(F)cc3C(F)(F)F)C2)C1 1785205115 YKBQDGVLWGJPFL-FQEVSTJZSA-N 469.391 2.408 10 20 JECD CC(F)(F)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785504138 YATFCXNSKCFBBJ-HVPBSWBLSA-N 454.470 2.328 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cccc(O)c3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540227 OOAJCMVGKIHPQZ-WLKRGDBESA-N 488.544 2.178 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccc2ncoc2c1 1788049702 RADBNZBAAMPMMO-LTMIRXACSA-N 487.516 2.214 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C(F)(F)F)CC3)[C@H]2C1 1788222425 SYEKWMZEJNKHFB-WLNPAGQUSA-N 470.444 2.139 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1[nH]cc2c1CCC2 1789163326 PTELQPNIJCTZCI-AXHNFQJDSA-N 459.930 2.475 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cccc(F)c1 1789517427 DDZMMGKGCVMYIV-AXQFQNRHSA-N 456.470 2.249 10 20 JECD COC[C@H](NC(C)=O)C(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1789654425 DQCHWLPCKMWBQW-QFIPXVFZSA-N 491.548 2.065 10 20 JECD O=C(/C=C/c1ccc(F)cc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1793683581 ZXFMKMFMFBXNTL-CIWMMSHSSA-N 486.471 2.398 10 20 JECD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)[nH]c2c(Cl)cccc12 1796264504 JWNCIOHSZDPZSI-VTEUUUEMSA-N 470.913 2.453 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796601007 PVDLPZUEQGCNOV-FLXSYLCISA-N 474.558 2.438 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncsc1Br)c1cc(O)nc(O)c1 1796946753 GQLUKTKTPSBDMO-JGPRNRPPSA-N 453.318 2.277 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c(F)c1)C2)c1cc(O)c(O)c(Cl)c1 1799768840 AJVMRXPLPBOSHL-IVWMJMPLSA-N 450.850 2.113 10 20 JECD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1799814826 HUEKDJPZHLAHOA-PAWRGXFHSA-N 497.523 2.412 10 20 JECD CC(C)OCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1802659233 KVTVAKREFVACQN-VSEMJTJDSA-N 455.511 2.343 10 20 JECD C[C@]1(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)CCCN1 1808075107 GCHBNFUOWCIRNX-GVCORALISA-N 474.565 2.022 10 20 JECD COCc1oncc1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1808824332 ZAYXAXAYOUVOGV-CJOSSSAMSA-N 494.504 2.366 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccn2ccnc12 1809886577 HZOCNXOQBABFIP-HRAATJIYSA-N 458.478 2.169 10 20 JECD Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(C(F)(F)F)n1 1810816757 GZAWQILZRFQMEF-SCLBCKFNSA-N 490.442 2.274 10 20 JECD CC(C)c1nc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)co1 1814184605 BVXBZNGTWIDFRL-HNAYVOBHSA-N 487.607 2.373 10 20 JECD O=C(Cn1ccnc1)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1816548726 ZPRMXOUDRYEZBA-BIENSFFJSA-N 452.471 2.129 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1823507196 NHBNEESSILBFHV-KSSFIOAISA-N 478.509 2.340 10 20 JECD N[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)c1ccccn1 1826906051 CZCKXMKQAYFLNY-NOZRDPDXSA-N 488.592 2.494 10 20 JECD O=C1CCc2ccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)nc2N1 1827396235 XDPWVKCRFIWEGD-IBGZPJMESA-N 479.537 2.320 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)c2cc(CO)on2)CC1 1829819202 GLJHFLQTPMYIHY-WSSFADSRSA-N 471.510 2.230 10 20 JECD Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)nn1C 1833368839 XALSZWBVKIPNSH-UHFFFAOYSA-N 490.004 2.221 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1836816876 ASEGWGRQMXLUSB-AWEZNQCLSA-N 481.977 2.278 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cocn4)C3)C2)cc1 1839348979 WWCPRWWSVJJMEM-VWLOTQADSA-N 464.522 2.466 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)[C@H](O)C(C)(C)C)C2 1843330938 UYTFHKZNAGFHMH-UXHICEINSA-N 488.629 2.315 10 20 JECD O=C(c1cnc2ccccc2n1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441669 PPPWIUGPBMPILY-UHFFFAOYSA-N 454.490 2.240 10 20 JECD Cn1cc2cc(C(=O)N3CCCC34CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)ccc2n1 1845598894 MMRWRQQTXUZWNV-UHFFFAOYSA-N 456.506 2.183 10 20 JECD O=C(c1nnc(-c2ccccc2)o1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038985 WRIBWDLRRAYXAZ-CSKARUKUSA-N 462.462 2.384 10 20 JECD CCS(=O)(=O)NC1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 726719651 RDHJQTDKGRJJCD-UHFFFAOYSA-N 460.547 2.370 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccccc3N3CCN(C)CC3)CC2)cc1 726725848 LEYUDBBWXIDCNJ-UHFFFAOYSA-N 451.571 2.171 10 20 JECD Cc1c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748713077 SSPZZLQMLCHEOR-UHFFFAOYSA-N 462.484 2.285 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)cc2F)C[C@@H](C)O1 917153213 QVVDXCKVGKTHNC-HUUCEWRRSA-N 469.473 2.374 10 20 JECD COC(=O)CCOc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 917918157 LSUORPCZSXWDFH-UHFFFAOYSA-N 452.504 2.083 10 20 JECD C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)C1 918219296 IBXNKQYTGNQLCD-PMACEKPBSA-N 489.636 2.119 10 20 JECD COC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918287105 OCRSTTBGPZAXNK-HZPDHXFCSA-N 473.501 2.246 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 918307317 SMZOFRBPKKQBBQ-UHFFFAOYSA-N 465.598 2.437 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)cc2)C1 918466051 XMJIGPWIZRRRGM-XXBNENTESA-N 480.565 2.201 10 20 JECD Cc1nccc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)n1 919465535 ZMXIHIPYAJYUFM-UHFFFAOYSA-N 498.561 2.253 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)c1 919816486 FJYXYZZFIWASBS-GFCCVEGCSA-N 497.371 2.412 10 20 JECD C[C@H]1CN(c2ccccc2NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 920195325 PZTRZOKBFXYBGR-KDURUIRLSA-N 452.555 2.392 10 20 JECD COCCN1C(=O)/C(=C\Nc2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)C(=O)NC1=S 920980140 YTJQUJCGESNGNT-ATVHPVEESA-N 492.554 2.120 10 20 JECD Cn1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c(C(F)(F)F)c1 1778330597 KZJODVOMYMZMPT-IIBYNOLFSA-N 482.459 2.291 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3ccc4occ(Cl)c4c3)C2)C1 1780220705 RCVFEXLMPOGVIC-NRFANRHFSA-N 493.994 2.390 10 20 JECD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c(C)c1 1780868531 AAGCHNPBFPZQSN-JJZPWCRDSA-N 468.506 2.277 10 20 JECD C[C@@H](Cn1cccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781119585 PRXBNGGGRGHNJT-FCORRRHLSA-N 476.961 2.412 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc(O)ccc1O 1781143057 IPEILNBIMRZNQW-ATIYNZHBSA-N 492.532 2.018 10 20 JECD C[C@H](Sc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1784354330 IUXQUPKOVCWCKC-LNMJFAINSA-N 457.552 2.267 10 20 JECD CNc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785508228 BGERBMCTPPWZLQ-LUAJHVPRSA-N 453.495 2.002 10 20 JECD COc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1 1786527053 ZDBUEKHPGJSKMF-APTRMMRNSA-N 490.560 2.010 10 20 JECD CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)N(CC)CC 1793462003 RLDBXSVEWJVQRB-LORHWOILSA-N 453.967 2.075 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ncccc13)C2)C1=NN(c2ccccc2)C(=O)C1 1796479302 ADLUSHQEYRKPKF-LWDWJGHZSA-N 483.528 2.231 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(F)cc13)C2)c1cc(O)c(O)c(Cl)c1 1799769537 WIJQGFHJIBVIEK-KSPBDQMDSA-N 474.876 2.284 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc2cc([N+](=O)[O-])ccc2s1 1800149944 MBHAEEVYQKHYFZ-VTEUUUEMSA-N 484.490 2.133 10 20 JECD COCCOCCOCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800718748 AWIBCLQKIAPDMO-BJWYYQGGSA-N 470.950 2.073 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc(-c2ncc[nH]2)cc1 1801819404 PXOFMMYIBIAANG-IRJINJETSA-N 498.543 2.073 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1sccc1F 1803858255 IDRVMRJATHAEKI-DYVFJYSZSA-N 478.596 2.462 10 20 JECD CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804339833 ACNIYPKZVDDJCS-QKPAOTATSA-N 498.671 2.178 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccnc(Cl)c1 1805667990 GOBNXVKACBRVLP-HNAYVOBHSA-N 490.010 2.310 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ncc(F)cc2F)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994375 VVQUWGRJVAGFBC-RNODOKPDSA-N 455.421 2.194 10 20 JECD O=C(COc1ccc(O)nn1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1821667444 HGLDFKNJHWQJKM-CQSZACIVSA-N 488.888 2.355 10 20 JECD CCOC(=O)/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823475509 UCQCCQAWSJUHGB-OLLVHVNLSA-N 470.482 2.351 10 20 JECD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1824175538 SNTOAUVQXIXZTB-ZHALLVOQSA-N 459.543 2.315 10 20 JECD Cc1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1827907644 YZQQUXYXUZENLG-GOSISDBHSA-N 460.625 2.484 10 20 JECD Cc1nc2ncccn2c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1828225454 UOJZRRHUIAXQNY-SFHVURJKSA-N 464.526 2.391 10 20 JECD O=C(c1nc2ncccn2n1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832875821 BUQCTUZCRVCQSS-IWHGQQBYSA-N 492.536 2.188 10 20 JECD CC(F)(F)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833542122 GYRGYBSVMRUMBO-UHFFFAOYSA-N 454.518 2.359 10 20 JECD Cc1ccn(CC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)n1 1833853668 IYRMYYXXHIBWRW-UHFFFAOYSA-N 475.977 2.142 10 20 JECD Cc1c(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)ccc2c1OCCO2 1838031598 TUVBNUVIRKOLNL-UHFFFAOYSA-N 497.548 2.498 10 20 JECD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)N1C[C@H]2C[C@H]2C1 1838369985 IHXHFQQXPKRROV-HAWKURDBSA-N 499.608 2.155 10 20 JECD CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1838963580 KMXCGGOOIWDUBL-XMMPIXPASA-N 489.956 2.201 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)Cc2cccnc2Cl)C1 1841966339 FBXGBTSJKGWNDT-UHFFFAOYSA-N 451.914 2.274 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)Nc3ccnn3Cc3ccccc3)nnc2n1 105347565 CIQWPHYHBSVVLU-UHFFFAOYSA-N 452.548 2.359 10 20 JECD COc1ccc(N2CCCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)CC2)cc1 108427591 VMXJIOVIOCQTDY-DEOSSOPVSA-N 454.502 2.340 10 20 JECD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)OC)cc1 726520379 DNOSRADQZNXNCX-UHFFFAOYSA-N 476.554 2.274 10 20 JECD CS(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726727369 WQAGDKSCGADEBI-UHFFFAOYSA-N 467.494 2.415 10 20 JECD C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)cc2)C[C@@H](C)O1 747011619 DEEVEIQQJJARTF-HZPDHXFCSA-N 456.518 2.396 10 20 JECD Cc1cc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c(C)n1-c1ccccc1 916221543 YXPGNCJPAGFXJW-UHFFFAOYSA-N 499.593 2.045 10 20 JECD CN1CCN(c2ccccc2NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 918029190 IYSCJKUGRAIKMG-FQEVSTJZSA-N 450.587 2.462 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 918309322 WRNVPPOBDOWWAD-UHFFFAOYSA-N 464.522 2.164 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2)cc1 918460511 AVYMXBRRSMUKER-UHFFFAOYSA-N 486.594 2.157 10 20 JECD C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)Nc1ccc2c(c1)OCCCO2 920638302 ULZSOGOKEMMLRL-GFCCVEGCSA-N 450.469 2.109 10 20 JECD O=C(O)/C=C\c1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 920957516 KNDRKXGACPISPS-VURMDHGXSA-N 462.440 2.112 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 1780639691 ACWYVMJGAVOWJO-IBGZPJMESA-N 488.418 2.297 10 20 JECD COc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782002457 IPQGPPHHHPNPNR-HSZRJFAPSA-N 476.913 2.282 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)[C@@H]1CCc2ccccc21 1782310740 SRHQBXIMWIXFAA-KHCICDEESA-N 487.647 2.091 10 20 JECD O=C(CSC1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1784464471 QYEUXJPBQJWHPR-GFWDFKOESA-N 476.595 2.472 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1784549012 XPPPYXVKVDRISX-FPTDNZKUSA-N 461.902 2.057 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)C1=NO[C@@H](c3ccccc3)C1)CCO2 1785505753 OJNSBBKMYGAEPE-VHHBQBHASA-N 493.516 2.164 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] 1793081465 FLSSTNMTRYSZGY-QDMKHBRRSA-N 496.998 2.289 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796600742 ICVSIVXAVOYVHH-JDVWUOGWSA-N 474.558 2.392 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)Cc1ccccc1 1801797078 JNBQXDXBJXBQJS-NAIZPJRESA-N 452.507 2.058 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1802864437 ZOLQALGPZRHVBZ-UVFQYZLESA-N 485.541 2.121 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cocn1 1806024508 MFJQPLLACRMVRG-XGBCVQCSSA-N 450.451 2.219 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)n1cccc1C=O 1807386665 DWOZXUQXYUDLNY-ULYRPOKDSA-N 463.494 2.083 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)[C@H]1CCCO1 1807701096 LTYOJLUZFBZYAQ-ROLFBGLLSA-N 453.495 2.097 10 20 JECD COc1ccc(COCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1808000108 XACZCRDIKMGWRF-CLOONOSVSA-N 492.532 2.433 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc2c(c1)COC2 1809312633 VDYCQUBSOJAQDF-HTAPYJJXSA-N 496.614 2.292 10 20 JECD O=C(/C=C\C(=O)NC1CC1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1810135165 NQCSQTGHOWXVEV-QDZKVSRNSA-N 484.940 2.301 10 20 JECD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1824176727 RGGXAECCSVVHLW-KSZLIROESA-N 495.667 2.056 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN)CC1 1826810442 WOUPIVBBCGRYLI-YADHBBJMSA-N 487.645 2.283 10 20 JECD Cn1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c(C(F)F)n1 1832902677 QVZIZNZZIAAUDN-HNNXBMFYSA-N 499.609 2.451 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)CC1)c1cc(O)nc(O)c1 1834988093 OHXVOLIGHLLFMH-UHFFFAOYSA-N 474.508 2.199 10 20 JECD CCc1cc(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)n[nH]1 1837995613 MXYOUWPWZJQGLA-UHFFFAOYSA-N 492.580 2.377 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)c1sccc1Cl)CCO2 1838227906 RLLQYEBXYWHPJG-WYAMSBGYSA-N 494.953 2.302 10 20 JECD C[C@H]1CCC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838300081 BKDHIEVRFYJJQM-MAUKXSAKSA-N 467.657 2.282 10 20 JECD CO[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)c1ccccc1 1839431678 HMBLVZYTOJUTBK-ZJSXRUAMSA-N 490.940 2.209 10 20 JECD CNc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1839433726 AOXFUMZXSVAJJW-QHCPKHFHSA-N 475.929 2.177 10 20 JECD CCO/C=C/C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251526 DUILCGWFJXEMMJ-ZPHJMFTNSA-N 489.569 2.287 10 20 JECD CC(C)OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1847336368 NXDREDZBIMYQFT-HKBOAZHASA-N 474.602 2.331 10 20 JECD Cc1nc(S(=O)(=O)NCCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cn1C 725882872 FNOOYQJCEHZOPK-UHFFFAOYSA-N 459.572 2.285 10 20 JECD CN1CCN(C[C@@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc2)CC1 727940407 IEYURZIWSVDGAC-UKILVPOCSA-N 478.641 2.176 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)Nc1cccc(F)c1F 743396216 VHQIYOOFRJFQPW-UHFFFAOYSA-N 470.455 2.475 10 20 JECD CCn1c(=O)n(CN2CCCN(c3ccc(OC)cc3)CC2)c2cc(S(=O)(=O)N(C)C)ccc21 917485905 VBJRIPFNDXZQIG-UHFFFAOYSA-N 487.626 2.252 10 20 JECD CN(C)S(=O)(=O)c1cccc(NC(=S)NCc2ccc(N3CCOCC3)c(F)c2)c1 917580412 IBAYTJQKMLINHI-UHFFFAOYSA-N 452.577 2.399 10 20 JECD CN1CCN(C(=O)c2ccc(CNC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2)CC1 918204952 DHDUGWFJTSKSRA-UHFFFAOYSA-N 483.588 2.174 10 20 JECD CN(C)S(=O)(=O)c1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 918215741 LCHDNOGLKMVSOY-UHFFFAOYSA-N 464.563 2.037 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 918428951 FANYETWHRBMNNQ-UHFFFAOYSA-N 467.570 2.058 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)cc2)C1 918464927 FFRYYBAWVGMNIB-HXUWFJFHSA-N 491.592 2.316 10 20 JECD C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 919655190 UDYHDDUUKGXZCR-PXNSSMCTSA-N 487.626 2.199 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(CN4CCOC4=O)cc3)CC2)cc1 919662621 MFIVJIDAZIFUQO-UHFFFAOYSA-N 452.511 2.325 10 20 JECD Cc1oc2ncn(C)c(=O)c2c1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919697905 NWNSOLMVAXIBNA-UHFFFAOYSA-N 477.500 2.021 10 20 JECD COc1ccc([C@H](O)CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919783208 GYCJHVBEVKTGEV-HSZRJFAPSA-N 480.544 2.484 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c1 919814004 ZVSPJEXNGRCQQU-GOSISDBHSA-N 453.948 2.220 10 20 JECD COc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OCC(=O)NC1CC1 920923934 XJEQIMIJNNWERM-KRWDZBQOSA-N 496.564 2.005 10 20 JECD COc1ccc(C(=O)NC2=S=C(C(=O)Nc3cc(C)ccc3NS(C)(=O)=O)C=C2)cc1 1465441868 OTGNCJQQJHRQQI-UHFFFAOYSA-N 459.549 2.349 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncncc4c3)C2)C1 1778605028 NTEURAGZXUQEMI-HSZRJFAPSA-N 468.897 2.452 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1779282867 DZXHKXISGRYZRH-IBVKSMDESA-N 464.566 2.228 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)[nH]3)C2)C1 1779354286 DKZJQPRZSQUKCO-FNLFUECCSA-N 481.427 2.307 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cncnc1)C2)c1cc(O)c(O)c(Cl)c1 1781122720 FEYWXOXEWKMJDO-AUSIDOKSSA-N 474.945 2.302 10 20 JECD O=C(CCc1cc(F)ccn1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004034 RNXMVOLRGCZVTN-QFIPXVFZSA-N 463.893 2.362 10 20 JECD CN1CCC(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)CC1 1783218230 FPENNKLTGOFQCZ-NLHDKNESSA-N 487.597 2.062 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CC(F)(F)C1)C2 1783218391 NOTOOMPEEZEPHA-SUROQQEJSA-N 466.481 2.376 10 20 JECD Cc1ncsc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783220238 VIYSAUDDLPZOTM-RYNBQMKOSA-N 473.551 2.409 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cccnc1)C2 1783221989 DLOWJYGQYIRONS-ZYHKADTASA-N 481.549 2.358 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c3nccc-3c1)C2 1783222435 URSWTQNIJKXRHX-ZYAZBWOASA-N 492.532 2.472 10 20 JECD Cc1ccsc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783245225 NYJOMFOVQCUTPB-JLTOFOAXSA-N 467.638 2.044 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1ccc(-c3ccccc3)nc1)CCO2 1785540945 MYPNDRUAOVFGCG-DEOSSOPVSA-N 496.614 2.052 10 20 JECD O=C1NC[C@@H](C(=O)Nc2ccc(C3(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CCC3)cc2)O1 1786417884 ISXAICZPSSMTNI-IBGZPJMESA-N 461.478 2.022 10 20 JECD CC(=O)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C[C@@H]21 1790874332 DCBSCNKJMUCRCB-XWGVYQGASA-N 466.582 2.214 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ccoc4cn3)C[C@@H]21 1792217818 LBYPVKBYWSNHPU-LAMWMMHXSA-N 479.489 2.251 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc(F)c2)CC1 1794035796 IGYFRCUDSKGSGJ-BJWYYQGGSA-N 461.584 2.356 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccc2ncsc12 1797501647 QABUDXHALVGLBT-HFTYUIQFSA-N 481.530 2.330 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c2nncn2c1 1798379135 COCFXEJMDGDKSR-KOTZLPFRSA-N 483.912 2.465 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1798650233 JIEZKLNIQSBZFS-SDKJRITQSA-N 452.511 2.350 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799621029 ZFDQVIQDZPKTJP-WRHDZBKDSA-N 481.597 2.005 10 20 JECD O=C1CSC(=S)N1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(F)cc3)CC1)C2 1804331409 WHGUJSGJAWFRLX-BJWYYQGGSA-N 461.584 2.356 10 20 JECD O=C(Cc1cccnc1Cl)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804360525 FWPMIAZRAVRFLL-IIBYNOLFSA-N 467.913 2.499 10 20 JECD Cc1c(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cnn1C 1805932316 HRNRHMZTOJDDTL-VSEMJTJDSA-N 477.521 2.273 10 20 JECD Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1806605865 IFKQKVIVSPKUBK-XXBNENTESA-N 482.631 2.499 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994381 VXMYAYABHZVRMA-WNSKOXEYSA-N 495.467 2.497 10 20 JECD Cc1cnc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cn1 1808465704 XLFGOAOEVGQNBW-YADARESESA-N 483.532 2.293 10 20 JECD CC(C)N(C)CC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808469373 LWWHKZYQOZCXBI-NBGIEHNGSA-N 476.581 2.221 10 20 JECD COc1ccccc1CC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1812767537 MPHULOPCNAPFMI-WZONZLPQSA-N 498.630 2.199 10 20 JECD CCO/C=C/C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813251485 DZHXSYWHUFFTFO-GWLKQIAVSA-N 453.495 2.468 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)Cc2ccccc2F)[C@@H]1c1cccnc1 1814186615 UPEVVBGOFMGFDG-HTAPYJJXSA-N 486.594 2.330 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc3c(c2)COC3)[C@H]1c1cccnc1 1814189594 SUODSYILJZFJSF-JTSKRJEESA-N 496.614 2.292 10 20 JECD COC(=O)CSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1815224747 FLNVGUJJQDLZTQ-VFADXPBXSA-N 490.538 2.138 10 20 JECD CCc1[nH]nc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1Cl 1815813540 LGNUYMLHAPZMDN-MRVPVSSYSA-N 499.043 2.168 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccc4c(c3)COC4)sc2C1 1818413847 JFVXIZMODKVGBD-AWEZNQCLSA-N 488.616 2.259 10 20 JECD O=C(CCN1CCOCC1)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708604 JVZZMHRTNBVFRJ-ZDUSSCGKSA-N 480.974 2.156 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2)n1cccn1 1826857579 AJNQQCGSRNPESS-CABCVRRESA-N 477.550 2.306 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cnn3ccncc23)CC1 1828282902 FORDUKQATZBRMO-GOSISDBHSA-N 450.499 2.083 10 20 JECD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)o1 1831798487 MTTGRLNHWJFTAX-OAQYLSRUSA-N 450.875 2.036 10 20 JECD Cn1nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)cc1O 1832876248 HCDCQKLKKFRJQR-IWHGQQBYSA-N 470.526 2.189 10 20 JECD O=C(Cc1ncccn1)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837211278 DFEJKGXPLJZZSP-UHFFFAOYSA-N 474.945 2.396 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)c3cccnc3)CC2)CC1 1837420996 HOXLHJSLNFXFAB-UHFFFAOYSA-N 475.549 2.487 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1F 1840881209 IMVUMJZFJBRJHF-NHDFZSDJSA-N 486.496 2.034 10 20 JECD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)C2=O)cc1 24192741 FJEIDSWIYQQANJ-VWLOTQADSA-N 450.539 2.257 10 20 JECD COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)c(C(=O)OC)s1 727245270 YWNVNBNPUKIYJP-UHFFFAOYSA-N 499.548 2.475 10 20 JECD CN(C(=O)CN1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1)C1CCCCC1 728598224 VKKOKTDYDWZCPE-UHFFFAOYSA-N 457.619 2.142 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)c1ccc(N2CCOCC2)cc1 749033343 OGYRGBIKAITDTJ-IBGZPJMESA-N 496.633 2.457 10 20 JECD CN(Cc1ccccc1O)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 917309853 HPUTWLWYAYJENR-UHFFFAOYSA-N 459.524 2.133 10 20 JECD COc1cc(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc(OC)c1OC 918002977 FOIPUOPZNZKHIU-GOSISDBHSA-N 456.543 2.414 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCCCn3nc4n(c3=O)CCCC4)cc2F)C[C@H](C)O1 918218922 XVMGCQYBLXYMRG-IRXDYDNUSA-N 460.554 2.023 10 20 JECD CCCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 918373133 STSZUHHEZBVAFB-LJQANCHMSA-N 458.584 2.470 10 20 JECD Cc1cc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2c(C)nn(C)c2n1 918933917 ARLJPAXHNHKEFX-UHFFFAOYSA-N 455.490 2.034 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2F)C[C@@H](C)O1 918946532 WZMOTQUXFXCPTK-HUUCEWRRSA-N 499.461 2.479 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cccnc3N3CCOCC3)cc2F)C[C@H](C)O1 919020748 NRMVBELDSJPPKM-ROUUACIJSA-N 486.544 2.144 10 20 JECD CCc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc(C)n1 1785505205 DJQTWFSIKXWGLF-PIITYICYSA-N 467.522 2.226 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)CCc1c[nH]c3ncccc13)CCO2 1785511834 VPDZECSMBLRYBV-KCROQMHPSA-N 492.532 2.156 10 20 JECD Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)nc2ccc(Cl)cn12 1790492295 DABRMKAXSGVNSH-JQFCIGGWSA-N 485.928 2.009 10 20 JECD Cc1ccn2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)c2c1 1796271326 WFEZLEJXAMIWSP-YVWYUNDQSA-N 470.913 2.224 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)[C@@H]1CCC[C@@H]2CCCC[C@H]21 1797265361 ZUZHZFMWGPUCCL-XDBFUARMSA-N 479.668 2.043 10 20 JECD CCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1798418506 UCTJNCPSLSRWED-RDGPPVDQSA-N 491.585 2.208 10 20 JECD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1799814829 HUEKDJPZHLAHOA-UWDCVYNISA-N 497.523 2.412 10 20 JECD O=C(CCc1cnc[nH]1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1804427237 PXCQBCWZHVBGFX-KBMIEXCESA-N 485.548 2.236 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccn(C(F)F)n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995218 NDQYIIKINPPLRT-FZKQIMNGSA-N 458.425 2.113 10 20 JECD Cc1cc(C)n(CCC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n1 1807997822 DXXXIHGETXWJPS-MBSDFSHPSA-N 464.526 2.111 10 20 JECD Cc1cccn2ncc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c12 1808001691 VVCABXAEOHVLKE-HXOBKFHXSA-N 472.505 2.477 10 20 JECD O=C(/C=C/c1cnc[nH]1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813299015 ZQAVRBNURJFAMC-BXQGMWBWSA-N 483.532 2.317 10 20 JECD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)on1 1814161532 HOZDJQQCCPLMSE-QLFHSEGHSA-N 478.505 2.457 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3c[nH]c4nccc-4c3)sc2C1 1816841369 SHGAUKTYZPKGNG-LBPRGKRZSA-N 486.604 2.057 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(N3CCOCC3)n2)[nH]n1)c1cc(O)nc(O)c1 1817845126 AIWYLSRDMLJOPE-GOSISDBHSA-N 493.524 2.067 10 20 JECD Cc1cnn(CC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)c1 1834894746 LKKMXIVIHGWCDK-UHFFFAOYSA-N 475.977 2.142 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c3cnccc13)CCO2 1837178049 ZYJSZLCABSXMIQ-QHCPKHFHSA-N 486.912 2.011 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)[C@@]1(C)CCCN1)C2 1843331351 OHYKTXBIXUXKEQ-CJFMBICVSA-N 485.629 2.050 10 20 JECD CS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1 1845567385 XCCQVYXAGCECBC-UHFFFAOYSA-N 482.917 2.425 10 20 JECD COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 505949014 RNFAPYRJPNHCIM-FQEVSTJZSA-N 458.603 2.204 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)CC2)cc1 726725430 CZPOQHHWKZNXKD-UHFFFAOYSA-N 461.522 2.383 10 20 JECD COc1ccc(N2CCCN(CC(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)CC2)cc1 917090075 ZOBBSWVAMNDCDE-FQEVSTJZSA-N 477.652 2.485 10 20 JECD CC(C)C[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 917832982 JQIVLZDINVLHEK-XBYSBRQOSA-N 480.609 2.370 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 918220990 PCCRLFYTCOBVKE-UHFFFAOYSA-N 484.528 2.183 10 20 JECD Cc1nc(C)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)o1 1779737956 AXPLBCCVATYTNA-BUTSGQJWSA-N 471.510 2.249 10 20 JECD Cc1cc(Br)sc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1780345878 IGDZCWKTLIBFPW-IBGZPJMESA-N 482.356 2.383 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CC[C@H](O)CC1)C2)c1cc(O)c(O)c(Cl)c1 1781122926 DADOTHXFTFPUQE-NDWZINJKSA-N 466.962 2.430 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4ncc[nH]4)cc3)C2)C1 1785151187 UMXXGJPUPVTGHT-MHZLTWQESA-N 498.543 2.313 10 20 JECD COc1cc(C)ccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510588 RKRAPBVUDROLEK-AAHGLTIQSA-N 468.506 2.277 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4CN3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243574 YKYMFJBKZILRPW-QTUQIOHYSA-N 485.968 2.059 10 20 JECD Cc1ccc(OCCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1792713261 LRSLDDLEDYGVDH-PTOUOFRTSA-N 482.533 2.184 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc2ccoc2s1 1796116763 APYUHMGSPIHINX-VPTLXERWSA-N 478.530 2.490 10 20 JECD C[C@@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)CC=CCC1 1796482581 KTSORLSYRRSOBH-VCYDUHQGSA-N 450.539 2.115 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cccc2nccn12 1796935023 OKGUCMOUGJLYOX-GGPHIMKMSA-N 456.506 2.379 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=C2c3ccccc3C(=O)N2CC1)c1cc(O)nc(O)c1 1799138892 FALCDHFWEAKMFY-MUJYYYPQSA-N 460.490 2.015 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1cc[n+]([O-])cc1 1811197456 HRQKONZIXAVZST-OXQOHEQNSA-N 468.897 2.413 10 20 JECD NC(=O)c1ncccc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811797678 HGRNFWSGZMSEPJ-XOBRGWDASA-N 495.923 2.274 10 20 JECD COc1ccccc1CC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812764974 ORVONGWPIFOURD-HOYKHHGWSA-N 462.506 2.459 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc(O)c(F)c2)[C@@H]1c1cccnc1 1814190011 OEMZDXDSGCXDFP-FOIQADDNSA-N 488.566 2.106 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816726409 VXJNQTAAGUOMSJ-WCQYABFASA-N 454.512 2.071 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(n2)OCCO3)[nH]n1)c1cc(O)nc(O)c1 1817844752 JHBSOTYHAGIEEE-OAHLLOKOSA-N 466.454 2.002 10 20 JECD CN(C)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cn1 1819940988 ISVXQHRZKYHWGT-OAHLLOKOSA-N 487.611 2.037 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1826905305 ZICUZJWXPQFPIC-QFBILLFUSA-N 489.667 2.362 10 20 JECD CN1CCCn2nc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)cc2C1 1827429412 KWLTUXBPVDJVMN-NRFANRHFSA-N 482.585 2.072 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCCCC1)CCO2 1834698874 QXTKCGYQHMGHQB-JOCHJYFZSA-N 452.935 2.402 10 20 JECD O=C(COCc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835371045 DNMZWZFWQOLCHB-DEOSSOPVSA-N 490.940 2.038 10 20 JECD O=C(CS[C@@H]1CCCCO1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838029771 IUGISYWZOKXWKS-JOCHJYFZSA-N 479.599 2.365 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)c1ccno1)C2 1844251779 WKOPISZYJVDYNZ-MRXNPFEDSA-N 486.525 2.039 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cc([N+](=O)[O-])cc3c2OCC3)C1 1844690856 ZJXPYALJSNUTNS-HWKANZROSA-N 481.461 2.177 10 20 JECD COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)n1 1845501279 VUIKYYZZVLLTEZ-UHFFFAOYSA-N 462.846 2.194 10 20 JECD C[C@@H]1CN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC(C)(C)O1 109175538 YCQGLWJVUSCQOS-BBSXFRJVSA-N 477.608 2.232 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)c3ccc4c(c3)CC(=O)N4C)CC2)cc1 728308254 QQAHRBSEEJKERV-SFHVURJKSA-N 451.571 2.397 10 20 JECD CC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(S(N)(=O)=O)c1 729230615 LZUBZLHEHJZFRU-HXUWFJFHSA-N 464.563 2.385 10 20 JECD CS(=O)(=O)NC1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 914448093 RDDRCTJABGIWBV-QINSGFPZSA-N 473.667 2.270 10 20 JECD O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 916587548 KBHGSBUTECCZCE-UHFFFAOYSA-N 453.568 2.263 10 20 JECD CN1CCCN(c2ccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)CC1 918309536 ALHAQKQQFDIKFP-UHFFFAOYSA-N 465.598 2.262 10 20 JECD CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 918310050 KDDHUBCWCGDGDE-UHFFFAOYSA-N 482.581 2.368 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3cccc(F)c3)cc2F)C[C@@H](C)O1 918867048 FMJHNJAHBYEZMU-IYBDPMFKSA-N 475.492 2.168 10 20 JECD CCOC(=O)c1c(NC(=O)COC(=O)CN2CCS(=O)(=O)CC2)sc(C)c1-c1ccccc1 919136290 BBKQBECPWCFGTK-UHFFFAOYSA-N 494.591 2.112 10 20 JECD Cc1ccc(S/C=C/C(=O)N2CC[C@]3(C2)CN(C(=O)CN2C(=O)CSC2=S)CCO3)cc1 1778965494 RYSRNOCTTNCFPV-PQCZLFTGSA-N 491.660 2.291 10 20 JECD COc1c(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)ccc(F)c1F 1781845381 DELHLTQGRLZYSR-MLENBVEFSA-N 490.459 2.247 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1782265521 QZZXARJJGXXTNN-HSZRJFAPSA-N 484.896 2.157 10 20 JECD Cc1ccnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1 1783222382 RJSBJCRVRBWCNG-PLOYQGSLSA-N 467.522 2.348 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1784287867 KJVQUAOEHYGKDR-CMJOXMDJSA-N 459.930 2.469 10 20 JECD CSCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1784567482 PABNVFXVMWKJSZ-SNYJDTOOSA-N 464.584 2.186 10 20 JECD CS(=O)(=O)c1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)nc1 1787127355 IAYUZFPELKEKDM-UHFFFAOYSA-N 482.518 2.353 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)CC1 1790243255 ZTZLAFZNWWGVAG-BHZNCXQASA-N 494.972 2.324 10 20 JECD COc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1C 1791123482 CKXWCZVBOUHMBE-NTQUVGCOSA-N 496.560 2.356 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC(F)(F)F)C2)C1=NN(c2ccccc2)C(=O)C1 1796480774 TZCCGASWNSUISH-YVWYUNDQSA-N 466.460 2.102 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cc1F)C2)c1cc(O)c(O)c(Cl)c1 1799768434 ZAONIBZTAYUUJP-VTEUUUEMSA-N 466.868 2.475 10 20 JECD CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1807078566 JAFYXWQDKRHSCW-IUOPVHLWSA-N 468.554 2.291 10 20 JECD Cc1nn[nH]c1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1807808147 RTJRTFVHXIDGDJ-ACJLOTCBSA-N 456.890 2.206 10 20 JECD COc1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1O 1807991246 GCYXPEBWSUCNTL-OSPHWJPCSA-N 478.505 2.164 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCc2cc(F)ccn2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994733 YHPISKHCLIOYMT-WAIKUNEKSA-N 465.485 2.374 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3ccccn3n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996234 OMXVSFMQNOQIPM-KSFYIVLOSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnn3cccc(F)c23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001312 UMXSJJJKVGDBIX-YCRPNKLZSA-N 476.468 2.308 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1ccc(CO)o1 1810831691 DOZXAIZIYKNUBJ-HOYKHHGWSA-N 487.516 2.279 10 20 JECD Cc1noc(N)c1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814161957 DBOZNPODPYULGB-OWVOHWSCSA-N 479.493 2.110 10 20 JECD Cc1onc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c1C 1815454766 KQVQCNJYZDXNGZ-CYBMUJFWSA-N 462.557 2.181 10 20 JECD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)[S@@](=O)c1ccccc1 1816728985 OVDFPQMILIUIFT-TXRYHFHXSA-N 486.575 2.371 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCO2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146658 WGZWROREHCLZTG-RTBURBONSA-N 450.499 2.374 10 20 JECD CCC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818147707 FHXPMLBYVJOJIE-GHTZIAJQSA-N 493.568 2.500 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3c[nH]nc13)CC2 1828242907 VVJBRAZBHNEZJZ-NSHDSACASA-N 486.604 2.106 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134000 TYIDEFRJCNGHNX-ZTCOLXNVSA-N 493.633 2.226 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)[C@H]3C[C@@H]3F)CC2)CC1 1838110371 CVPXJCZDSFLSFO-PMACEKPBSA-N 456.518 2.136 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCCO2)C1 1841103563 NBLYOWYUGWCXMS-RTWAWAEBSA-N 486.613 2.477 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)COc2ccc(F)cc2)C1 1842686782 LONMHBCLCQYRHW-UHFFFAOYSA-N 450.470 2.201 10 20 JECD COc1ncc(Cl)cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(c2ccccc2)C(=O)C1 1847197093 XRQIEKOTVZEEER-OALUTQOASA-N 467.913 2.352 10 20 JECD CNc1nnc(SCC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)s1 19393906 LJBYBLLJZCVDBE-NTUHNPAUSA-N 495.633 2.418 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 731102740 KFKSPXYCUABKOE-UHFFFAOYSA-N 462.890 2.246 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)c1 857484188 WPQJSOJXVRJYEL-INIZCTEOSA-N 457.430 2.096 10 20 JECD Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)c2C)c1 914654563 NSKZAJZUINSCIY-PMACEKPBSA-N 486.590 2.472 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 915339029 CPAXJVJYQNHWNT-UHFFFAOYSA-N 467.570 2.458 10 20 JECD COC(=O)c1cccc(NC(=O)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1C 915744542 OAKDGQFZXSBFGC-UHFFFAOYSA-N 468.554 2.057 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 916697778 WWPOQDNXQAZMPB-UHFFFAOYSA-N 496.536 2.144 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(S(N)(=O)=O)s3)cc2F)C[C@@H](C)O1 918186839 VDRWCDVKJSOQLD-BETUJISGSA-N 456.565 2.148 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)N3CCN(C(=O)c4cccn4C)CC3)cc2F)C[C@@H](C)O1 918223264 YYDBQCPZFSOJSZ-HDICACEKSA-N 457.550 2.445 10 20 JECD COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 918443096 SPIMOBGRMAGYPU-UHFFFAOYSA-N 454.571 2.220 10 20 JECD Cc1noc(-c2ccc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)n1 1321913748 WOORTXSLJAAPLF-UHFFFAOYSA-N 454.458 2.494 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3cccc4cc[nH]c34)C2)C1 1778035608 DUFHELZUOYDDTF-SANMLTNESA-N 471.517 2.404 10 20 JECD CSc1ncccc1C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1779838109 HPZKSTWBPWJZTM-DEOSSOPVSA-N 479.562 2.040 10 20 JECD CC(C)(C)n1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)n1 1782004909 PRUYAFMENNFBLZ-JOCHJYFZSA-N 462.934 2.460 10 20 JECD O=C(c1ccc2ccnn2c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008748 JRTVFKFRYCTSIK-QFIPXVFZSA-N 456.886 2.156 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1)C2 1783222939 RMHHILWCWLLQFO-DVUHTVQOSA-N 462.568 2.226 10 20 JECD COc1ccc(F)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787541640 XPECGSOKGKPIDU-GRWTVWFQSA-N 494.523 2.221 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nn(-c2ccccc2)c2c1COC2)c1cc(O)nc(O)c1 1796559534 BIOLIZSPFWMMNW-VBUUOAMHSA-N 475.505 2.274 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1[C@H]2Sc3ccccc3[C@H]21 1798456762 HCXFRHOBUZBCAL-URKVJCHASA-N 473.645 2.373 10 20 JECD O=C(CCc1ccco1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1804591588 MZYWMCJXQOERSJ-KKSFZXQISA-N 472.592 2.174 10 20 JECD CCOC(=O)/C=C/C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1806300386 RHOPJHSKBNDCHO-LTZDSNKOSA-N 481.505 2.037 10 20 JECD O=C(COc1ccccc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1806480938 VFZOGIJFYYZOBS-VGOFRKELSA-N 484.603 2.027 10 20 JECD COc1cnc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(F)c1 1807990972 LNSSHXILHVWUDZ-SPLOXXLWSA-N 467.457 2.064 10 20 JECD O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810547332 KWKPCUWLVMBONJ-UHFFFAOYSA-N 492.532 2.024 10 20 JECD Cn1cc(CCC(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cn1 1814162996 UMKHFAYPDGCZKJ-NKNFQMRTSA-N 491.548 2.284 10 20 JECD CO[C@H](C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccc1 1814186804 XMKSABOBBLLRBL-BWAGFHJFSA-N 498.630 2.335 10 20 JECD CC1(C)CC(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)C1 1814193007 ZRMGEBPQOQBOAZ-BEFAXECRSA-N 460.625 2.384 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1ccc(=O)oc1 1816646993 JIOGSZHFUNINIW-CDVVCGDMSA-N 466.450 2.499 10 20 JECD CC(C)OC(=O)c1ncccc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720998 DEPRIUHBYSHUST-ZDUSSCGKSA-N 497.533 2.449 10 20 JECD Cc1nnc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)o1 1817534491 DNFLGRYJHCWAHY-GOSISDBHSA-N 476.497 2.129 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)[nH]n1)c1cc(O)nc(O)c1 1817847129 MCAZBNJILCBQBZ-JTJQLJSMSA-N 488.504 2.432 10 20 JECD O=C1Cc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)c2N1 1821514616 LXDHCFUIMGWGQG-INIZCTEOSA-N 462.466 2.330 10 20 JECD COC(=O)CSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476816 PGPVOYLCJVFYFO-PMGBHYCQSA-N 490.538 2.138 10 20 JECD COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)n(C)n1 1825479489 CRPYEXGWGNTPNE-KOEDOTQGSA-N 484.553 2.492 10 20 JECD COC(=O)c1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)cc1 1826368261 UFAQADKQELYBKV-OAHLLOKOSA-N 482.518 2.204 10 20 JECD O=C([C@@H]1CC(c2ccccc2)=NN1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429894 VRSVITAJMCLEJD-FCHUYYIVSA-N 477.565 2.492 10 20 JECD O=C(c1coc(Cl)n1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896877 SJCRCSNJSXQBHU-AWEZNQCLSA-N 471.004 2.422 10 20 JECD O=C(C1CCC(O)CC1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899330 DSQMTJUDDOVSQE-DAWZGUTISA-N 467.657 2.018 10 20 JECD O=C(c1cc2cccn2cn1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901115 CBRFBAUNYVNXFA-IBGZPJMESA-N 485.635 2.428 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3n[nH]c4c(F)cccc34)CC2)CC1)c1cc(O)nc(O)c1 1834987140 GNEDFEFICPOVLT-UHFFFAOYSA-N 482.516 2.007 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ncccc1C(F)(F)F 1835989044 ZSNBTEIABJIIHP-UHFFFAOYSA-N 493.486 2.406 10 20 JECD Nc1ccccc1/C=C/C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837886963 KBOQAXRNFQIOBU-AATRIKPKSA-N 466.538 2.401 10 20 JECD CN1CCC[C@H](C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)C1 1838618445 FABOASQMYPLION-XZXOBPBMSA-N 487.597 2.157 10 20 JECD O=C(CCCc1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433391 UIQQBEGLVMIMDV-DEOSSOPVSA-N 489.956 2.239 10 20 JECD CN1CCC[C@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)C1 1843331238 ALGUQUTXIFUMDE-RBBKRZOGSA-N 499.656 2.250 10 20 JECD C[C@H]1CN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CC(C)(C)O1 210867478 YCQGLWJVUSCQOS-RMNBPEERSA-N 477.608 2.232 10 20 JECD CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727078716 FUVPCEVTBSENRR-UHFFFAOYSA-N 461.364 2.396 10 20 JECD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(OC)c3O)CC2)cc1 727761369 XIERMRMRKALLCU-UHFFFAOYSA-N 476.551 2.295 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 747554786 CGXUKIAIIUCJMS-UHFFFAOYSA-N 496.633 2.339 10 20 JECD C[C@@H](OC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)C(=O)N1CCNC1=O 913364219 XLGRPEIEVICKSQ-SEEODLKFSA-N 498.380 2.134 10 20 JECD Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1ccc(N2CCOCC2)c(F)c1 916836477 KOVSNCPQTUQYSJ-INIZCTEOSA-N 456.971 2.470 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccccc3-c3noc(C)n3)CC2)cc1 918250724 VMUBZGRKTMVNNW-UHFFFAOYSA-N 478.553 2.321 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2F)C[C@H](C)O1 918855501 FALGQGCNYKLFMB-KBPBESRZSA-N 460.462 2.403 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H](C)NC(=O)c3ccc(Br)s3)nc12 919524040 ZWGGJJFKESHSLM-VIFPVBQESA-N 497.327 2.297 10 20 JECD CC(C)CN1C[C@H](C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1=O 919698928 BXQZXJVKHHPDMI-LJQANCHMSA-N 454.550 2.063 10 20 JECD C[C@@H](NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)c1ccc(N2CCOCC2)cc1 920886407 JZVQNZVIOQEKNY-QGZVFWFLSA-N 479.624 2.160 10 20 JECD COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1 921019212 FUMVLRIWLRPNGP-YHYXMXQVSA-N 470.525 2.062 10 20 JECD O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1324036653 HYPRZJBBJNITKL-UHFFFAOYSA-N 490.461 2.439 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(c3ccccc3F)CC1)C2)c1cc(O)nc(O)c1 1777852219 YVWWTLVPZZOHCH-NTKDMRAZSA-N 469.513 2.491 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC1(O)CCC1)C2)c1cc(O)c(O)c(Cl)c1 1781123419 PCNUANLXWVHOPJ-DYESRHJHSA-N 452.935 2.184 10 20 JECD Cc1cncc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1 1783219929 JINSULPGGZVFOK-PLOYQGSLSA-N 467.522 2.348 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1 1785113412 RNWFFIKSSOSQKO-QHCPKHFHSA-N 473.913 2.467 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)CCCC(F)(F)F)CCO2 1785503199 CGVYAOYVKOJNPU-PEAOBZDDSA-N 458.433 2.379 10 20 JECD CC(C)Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1785544949 FMMVKUDIXLOZOI-HSZRJFAPSA-N 475.636 2.189 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(O)c3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787541656 YLTYCKONSLMDSM-APTRMMRNSA-N 490.560 2.097 10 20 JECD O=C(Cc1cn2c(nc1=O)SCC2)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788427840 WPDDFBHWAGWOND-UHFFFAOYSA-N 493.545 2.146 10 20 JECD CCCNC(=O)CCC(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792314778 VQWUPHYEJDHKIY-UHFFFAOYSA-N 476.624 2.287 10 20 JECD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2 1793250017 NYUVLZOJVLDQKU-JYYAWHABSA-N 497.976 2.279 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(Cl)c1)C1=NN(c2ccccc2)C(=O)C1 1794733004 WOIBRMJHDYRLBO-ACHSLPGTSA-N 467.913 2.485 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1csnn1 1803751137 QRIDRJRRNRCAPZ-KKSFZXQISA-N 475.534 2.046 10 20 JECD C[C@H](Cn1cccn1)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1804723579 IGABYWNVIQQONU-COHJWNIHSA-N 491.548 2.450 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807998651 DIMIZPATXBYYFN-JPYJTQIMSA-N 489.532 2.463 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnn3c2CCC3)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468859 FLBFTFXBRLBZRK-KBMIEXCESA-N 497.559 2.337 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccc2c1OCCO2 1809233818 CPYXFVBPYHLOHD-AOMKIAJQSA-N 476.489 2.292 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCn2cncn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811809696 OSTLUAOZMAJKLK-MGPUTAFESA-N 470.917 2.148 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816726777 ZMFMOIFQPUIDBD-SECBINFHSA-N 482.444 2.241 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2n[nH]cc2c1 1816747457 CCXPUTWTWKXXMD-ZDUSSCGKSA-N 450.480 2.365 10 20 JECD COc1ccnc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)c1OC 1817847744 VRJSYTABYVYIJB-CQSZACIVSA-N 468.470 2.248 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)[C@@H]1CCCS1(=O)=O 1821837875 DHFCREOJEGJOET-HOCLYGCPSA-N 482.946 2.357 10 20 JECD CC(C)n1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)n1 1823499837 AGBAESVLXFNOLI-OAHLLOKOSA-N 475.600 2.353 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(F)c2)CC1 1824725134 MDLSFSBJYLPRSJ-INIZCTEOSA-N 464.588 2.314 10 20 JECD CC(=O)C[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1825930961 WWVAHLXPOAERMK-HIFRSBDPSA-N 467.551 2.463 10 20 JECD O=C(CCCn1cccc1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1826933748 QSSCFZLNXPQFJG-CYBMUJFWSA-N 477.637 2.197 10 20 JECD Cc1nn(C)c(C)c1CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428768 ILHOCFHMTONKSX-HXUWFJFHSA-N 455.559 2.319 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCSC1)CC2 1828248955 BVLACBPYYOJOEY-WDEREUQCSA-N 470.667 2.059 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cnn3cccnc23)CC1 1828540397 LJRVDTBMRPQNPE-SFHVURJKSA-N 450.499 2.083 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877486 OCZCBWTZDRVMLK-RSJNPKLMSA-N 473.570 2.303 10 20 JECD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)n1cccc1C=O 1832898615 SGNNUBOCPAJERT-QFBILLFUSA-N 490.651 2.342 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3cccs3)CC2)CC1)c1cc(O)nc(O)c1 1834986887 GLQCFOFZVJTCGR-ONEGZZNKSA-N 456.568 2.453 10 20 JECD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(C)n1 1838363448 BMIKAKGZDQQJAZ-QHCPKHFHSA-N 475.929 2.147 10 20 JECD CC(C)NCCC(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1842993888 ADUNYMTYRFDIIK-OAQYLSRUSA-N 487.645 2.296 10 20 JECD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c2ccccc2O1 726725784 HVIQSKYFBKUNSX-HSZRJFAPSA-N 480.565 2.101 10 20 JECD CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(S(N)(=O)=O)c1 729227862 ZWZXXBSZPPNUKR-LJQANCHMSA-N 450.536 2.260 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)nc12 918974702 BBQKDKWLBHNNQC-GFCCVEGCSA-N 458.858 2.361 10 20 JECD Cc1cc(C(=O)OCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccccn1 919077606 UHWHMUOQELLLJV-UHFFFAOYSA-N 452.496 2.225 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CN3CCCCCCC3=O)cc2F)C[C@H](C)O1 919309504 XLKOLUZQDXOXDH-ROUUACIJSA-N 463.550 2.391 10 20 JECD O=C(Cc1cccc(F)c1)NCC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 919404976 UXGHQDYBGUFKOV-UHFFFAOYSA-N 474.444 2.442 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 919907819 OKNJBBYQGVPXQL-UHFFFAOYSA-N 490.601 2.393 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(CO)o1)C2)c1cc(O)c(O)c(Cl)c1 1781122153 QOEFZIZBPCPGPE-XMSQKQJNSA-N 464.902 2.278 10 20 JECD CC(C)N[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)C(C)C 1782001996 PCJUHHHCNNTEKO-XMSQKQJNSA-N 453.967 2.217 10 20 JECD Cc1onc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1C 1783218348 LMSSKVMTSOJSEF-BUTSGQJWSA-N 471.510 2.249 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)c1ccccc1)C2 1783245500 YSWDAURHCBJBLP-GTCCEBARSA-N 479.599 2.071 10 20 JECD C[C@H](Cc1ccco1)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1784584731 YTKVZNQJGUMOCE-CJAUYULYSA-N 464.522 2.081 10 20 JECD Cc1cccc(F)c1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1784938396 FDNWWTSKHPLJRF-HLZSCNFSSA-N 456.470 2.408 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)CCc1cnc3[nH]ccc3c1)CCO2 1785510654 VUFPGQIAYHMKOV-GBFLMCMZSA-N 492.532 2.156 10 20 JECD Cc1ccc(SCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)cc1 1787292425 YNXAQYJYMZVTOD-SNRMKQJTSA-N 457.552 2.187 10 20 JECD Cc1ccsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787537256 JNPVACKFOKYCSC-QRFRQXIXSA-N 466.563 2.443 10 20 JECD O=C(Nc1ccc(C2(NC(=O)c3cccn4c(O)nnc34)CCC2)cc1)c1cc(O)nc(O)c1 1788427902 DPWFXCIQHUUVPF-UHFFFAOYSA-N 460.450 2.303 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cc(F)cnc1Cl 1788846813 DAHZWZIKZPTXEK-MGBQVRGESA-N 491.903 2.298 10 20 JECD Nc1ncc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)s1 1792313826 KKFKCEYLCUORCL-UHFFFAOYSA-N 461.594 2.333 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)n[nH]1)C2 1796749097 LTIQAAUICBWGRD-AJYBTWMASA-N 498.584 2.085 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc2cc[nH]c2c1 1796815986 WGJZOTXKWXDJQH-NHKMSHSESA-N 471.517 2.164 10 20 JECD CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1803166687 HYONWDGNURXTJT-WEDDNPGISA-N 480.565 2.402 10 20 JECD CN(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)cn1 1804288725 CEHCUHCZCMXSBJ-HGTZELSKSA-N 452.511 2.230 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cc(F)cc(F)c1F 1804339942 CZRHDDMSBUHXOW-ZSBIGDGJSA-N 457.499 2.216 10 20 JECD CCCNC(=O)CCC(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1805877579 VGIANZIEASDALJ-UHFFFAOYSA-N 481.597 2.317 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccon1 1806000946 WDUKGEQAZHXZAT-SFFRXTGVSA-N 450.451 2.219 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(Cl)c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992196 WGJZDRKIBCBDFC-RBZFPXEDSA-N 469.885 2.275 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccn3cncc3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996155 MHBWTAPTXOMOHP-VGSWGCGISA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3ccnn3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001738 WWJZRIARIMPKGP-AOMKIAJQSA-N 458.478 2.169 10 20 JECD CCc1cc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)nn1C 1808470782 ZHQMKEJGMZWQNR-DFBJGRDBSA-N 499.575 2.490 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc2cnccc2[nH]1 1809998429 YXILJQJBCJPXRZ-OYHNWAKOSA-N 458.478 2.398 10 20 JECD Cn1nc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)cc1O 1811798593 SBKWCYUOYVMBRF-ORAYPTAESA-N 471.901 2.219 10 20 JECD O=C(/C=C/c1cnccn1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813485873 JRARUMPYYLUQDE-UDYMVNFDSA-N 487.516 2.421 10 20 JECD Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)nc1 1816545408 POEVRXQWWJBFDY-HNNXBMFYSA-N 458.569 2.279 10 20 JECD COc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1C 1816722170 DPSRCAWBICRQLY-CYBMUJFWSA-N 455.496 2.201 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3cnccc3n1)CC2)c1cc(O)nc(O)c1 1816725834 PXXZSSWRFJYNQU-CYBMUJFWSA-N 462.491 2.432 10 20 JECD Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)no1 1817367091 RCANIVIFCSHHPR-CQSZACIVSA-N 478.534 2.387 10 20 JECD O=C(c1ccc(OCCCO)cc1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838029920 QTUTZXZBLJTDFW-UHFFFAOYSA-N 499.564 2.180 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4)C3)C2)cc1 1839348553 FNRIMFAPRRPPDT-HHHXNRCGSA-N 480.609 2.260 10 20 JECD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)ccc1O 1839433098 LDMVEGXDEJMSNT-HSZRJFAPSA-N 476.913 2.149 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CC1 1843249437 JHHYEBLCEWLOMF-INIZCTEOSA-N 474.558 2.347 10 20 JECD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442497 NQUOEFANSBHPDV-UHFFFAOYSA-N 465.441 2.344 10 20 JECD O=C(Cc1ccc(F)cc1C(F)(F)F)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056582 KIBKULUMXXPSJC-UHFFFAOYSA-N 489.516 2.451 10 20 JECD NC(=O)c1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1 16728082 SEPCWMVCXRHYGD-UHFFFAOYSA-N 489.531 2.158 10 20 JECD CCC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)C2=O 749384805 IRSDKTWHOZMHKH-UHFFFAOYSA-N 458.559 2.145 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)cc2F)C[C@@H](C)O1 917711534 NDFARHOOMDQTRD-KDURUIRLSA-N 480.540 2.127 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)cc1 918308661 ALDKFWVVJNWFFH-UHFFFAOYSA-N 479.625 2.446 10 20 JECD COC1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCN(C(=O)OC(C)(C)C)CC1 918672322 IAEUGVDFAXUQKA-IBGZPJMESA-N 474.602 2.421 10 20 JECD COC(=O)c1ccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)nc1 919761455 CAFULYPDQQFLKF-UHFFFAOYSA-N 450.474 2.054 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(OC)c1 919799902 KEAHSFSLPIUSPI-UHFFFAOYSA-N 494.527 2.214 10 20 JECD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 1115827674 XXIXENSCYNCSPO-LJQANCHMSA-N 494.013 2.236 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(c3ccc(F)cc3)CC1)C2)c1cc(O)nc(O)c1 1777849726 ZLOWSWVQYYHHQI-NTKDMRAZSA-N 469.513 2.491 10 20 JECD CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)CCC1 1778126829 KBNFURZJRAETEG-CJFMBICVSA-N 452.555 2.483 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc2nonc2c1 1778525191 GRNZKIRATUOUOS-WMXZDKKKSA-N 494.504 2.181 10 20 JECD Cc1cc(Br)ccc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1781567868 PJCKSROTJWIHRI-OAQYLSRUSA-N 476.327 2.321 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3cnccc3c1)C2 1783247924 INZBRGGODRJKSJ-NTKDMRAZSA-N 498.630 2.223 10 20 JECD COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1C 1785503841 SDGFAQFTFRONAC-ZWDKTXKMSA-N 482.533 2.206 10 20 JECD Cc1cccc2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)[nH]c12 1788295577 IIKUWYQEGZBCCM-IEZWGBDMSA-N 450.495 2.190 10 20 JECD Cc1ncc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)s1 1791590974 PXZJYOUYJIPWOK-QITLCBANSA-N 465.959 2.352 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCc3ccccc3)C[C@@H]21 1792218475 HBBXLRNLUZHCML-ZNTKURTCSA-N 482.533 2.013 10 20 JECD Cc1c(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)cnn1C 1792313917 JZKFKQWTMWJXPV-UHFFFAOYSA-N 457.581 2.337 10 20 JECD O=C(C[C@H]1OCCc2ccccc21)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804334542 OMRKTTYDDZLJCO-SFNKJDCFSA-N 473.620 2.189 10 20 JECD COc1cccc2c1C[C@H](C(=O)N[C@@H]1C[C@@H]3CC[C@H](C1)N3C(=O)CN1C(=O)CSC1=S)CC2 1804336409 VLZMFZFRNLAOJU-ZJPYXAASSA-N 487.647 2.299 10 20 JECD COc1cnc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(F)c1 1805082875 UXJAKEJGXLTKKJ-SPLOXXLWSA-N 467.457 2.064 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCN2CCCC2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469806 QGCVJDXZRVBDFH-HFZDXXHNSA-N 488.592 2.366 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1808816579 RMQMLGYIKSNORN-CDMIOBSGSA-N 498.630 2.415 10 20 JECD CSCC[C@H](O)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813095391 GWMFXYSVMGZFAV-ABBDZDFZSA-N 487.578 2.032 10 20 JECD Cc1cc(C)n(CCC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n1 1813305496 QDDNYCINZHSCAO-FDDCHVKYSA-N 464.526 2.111 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc3nc[nH]c3c2)[C@H]1c1cccnc1 1814189560 SCTBFWNKVYCAEE-KKSFZXQISA-N 494.602 2.138 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc(O)cc1 1814190044 PLUKOZXSQYBUDE-QXATTWAWSA-N 498.630 2.457 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cncc(F)c1 1816534379 RTRGXTVEPPEBLF-CQSZACIVSA-N 462.532 2.110 10 20 JECD CC[C@H](C)[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817363690 LYXHNFNLGHZKNP-LRDNONRASA-N 469.567 2.255 10 20 JECD COc1nc(C)ccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1819926326 QPXHAEQXKXVIMZ-HNNXBMFYSA-N 488.595 2.288 10 20 JECD CN1C(=O)CC[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1820956781 LVBZFXNIZFQKIN-CABCVRRESA-N 461.906 2.401 10 20 JECD O=C(c1cc(CO)on1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716235 HCAOKJJIUASNJH-QFIPXVFZSA-N 479.537 2.193 10 20 JECD Cc1oc(C(C)(C)C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836417987 UDAYTCBFNKXHGO-DEOSSOPVSA-N 473.526 2.076 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(O)c1 1839435533 NBBHGMCVWWUYRK-QHCPKHFHSA-N 476.913 2.149 10 20 JECD Cc1scc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1C 1840880285 HJRJECMOEODJTE-WUQPGSQJSA-N 488.562 2.265 10 20 JECD O=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)CN1Cc1ccccc1 1843440838 DLYYHCJWJMWXAF-OAQYLSRUSA-N 499.571 2.031 10 20 JECD CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CCCC13CN(C(=O)c1cc(O)nc(O)c1)C3)C2 1847094885 HRVJVFOWBPQFBY-YESZJQIVSA-N 472.542 2.098 10 20 JECD CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1847601711 XKGJZUCUDQNWJL-ULQDDVLXSA-N 472.542 2.098 10 20 JECD C[C@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(N2CCOCC2)cc1 109179362 QPPWYMLHRNYXDF-SFHVURJKSA-N 459.568 2.035 10 20 JECD CCOc1cc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)ccc1OC(F)F 727176484 LEFWVOYAJITZOO-LCYFTJDESA-N 452.526 2.437 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNS(=O)(=O)c1cccc(Br)c1 728302222 SWWCSINMSMTHNG-UHFFFAOYSA-N 482.400 2.223 10 20 JECD O=C(CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCN(c2ccccc2)CC1 749221882 VCNLTROBQFIQQZ-QFIPXVFZSA-N 452.555 2.432 10 20 JECD CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1OCC 798228707 RXISFBPLIGYXKH-UHFFFAOYSA-N 464.540 2.425 10 20 JECD CCOc1ccccc1C(=O)N1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 917062578 CPPALDRCORJHFF-UHFFFAOYSA-N 466.582 2.201 10 20 JECD Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 917833550 ALHLMVGZLBXORY-PPRFWAEMSA-N 463.517 2.137 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)cc2)C1 917834653 MJMQJUKJRUMZFE-IAGOWNOFSA-N 483.500 2.105 10 20 JECD CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918643738 NYYGPLIOPJZNRB-QFIPXVFZSA-N 489.663 2.398 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)cc2F)C[C@@H](C)O1 919084538 GESXKWDJZYLIPT-JFIYKMOQSA-N 463.550 2.246 10 20 JECD C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1ccc(N2CCOCC2)cc1 920880679 MDUHQVHTHRSHCE-MRXNPFEDSA-N 465.597 2.097 10 20 JECD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 920890204 NOWTUHJQSBEBEW-QGZVFWFLSA-N 459.568 2.272 10 20 JECD COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1782000900 DDGNUSOLHNAPQB-HSZRJFAPSA-N 460.914 2.446 10 20 JECD COc1cncc(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1782003460 JNPCJFYSVOGSCB-HSZRJFAPSA-N 475.929 2.231 10 20 JECD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008268 XQONVMGGIXTGGT-OYLFLEFRSA-N 487.940 2.013 10 20 JECD CN(C)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1785758589 SDQDJTKWVUJTGB-RISOHXOYSA-N 474.945 2.119 10 20 JECD CC1(C)CCC(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)CC1 1789963414 OZYXXUSBEBHVCF-BZSNNMDCSA-N 481.684 2.433 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242186 GKMULNSUKZGJLO-PKWAYOAASA-N 465.846 2.160 10 20 JECD Cc1cccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)n1 1790243164 VFRWDCGEZDIMSN-VHFSOBRXSA-N 459.930 2.291 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccccc3)on1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479525 TYLAXFINXRWGMB-HBNMSFMJSA-N 499.527 2.338 10 20 JECD Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796480643 CDOFSOOZOQJMGT-GPVSGQMNSA-N 464.497 2.130 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1cccn(C(F)F)c1=O 1804286222 PFGFWRAICSRFGM-RRJKNOHSSA-N 475.448 2.325 10 20 JECD O=C(/C=C/c1ccco1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1804616539 QHQUOSGFDDYHAI-YONMQOAISA-N 470.576 2.254 10 20 JECD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)[nH]1 1808464300 KIXMWSXIODBKGD-MBSDFSHPSA-N 471.521 2.226 10 20 JECD Cc1n[nH]cc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808470234 UOTSYYAGVJDSIU-WZONZLPQSA-N 471.521 2.226 10 20 JECD Cc1n[nH]cc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1811486929 QXKRJKAHNTTXRB-FDDCHVKYSA-N 471.521 2.226 10 20 JECD Cc1ncsc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814186133 LUXARIMPNWIPGV-YOEHRIQHSA-N 475.621 2.026 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnn3cccc(F)c13)CC2)c1cc(O)nc(O)c1 1816728293 FHBOOWKXKKMEAF-LLVKDONJSA-N 468.470 2.276 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cnsn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818145954 OEFMCJBTKUHABK-QGZVFWFLSA-N 464.511 2.360 10 20 JECD C[C@H]1CCc2c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cc(O)nc(O)c3)CC4)n[nH]c21 1818335282 WNSUKTQJXPTUDO-ONGXEEELSA-N 454.512 2.262 10 20 JECD O=C(CC12CCCN1CCC2)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1820814304 BSJYJSFKPCKKTD-MRXNPFEDSA-N 490.655 2.281 10 20 JECD Cn1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)c1=O 1824721504 SZFLHXUDVUQZAF-MFUYTVRRSA-N 481.549 2.449 10 20 JECD O=C(Cc1cc[nH]n1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717800 ZLDLKZRLXAJGIV-JOCHJYFZSA-N 462.554 2.365 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1cccnc1Cl)CC2 1828240706 ZMPJSRHLECVNMF-NSHDSACASA-N 496.039 2.207 10 20 JECD COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)nn1C 1829847543 LPDBXFAEKOQQHI-QRBZPYHOSA-N 484.553 2.492 10 20 JECD O=C(Cc1cncnc1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876569 IMSSYQZBYUQXCV-CYXJOQHWSA-N 466.538 2.469 10 20 JECD Cn1cncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876988 QOZDVFAIJPVEGZ-IWHGQQBYSA-N 454.527 2.484 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cccs1)CCO2 1835969738 UDSPZKIPZZIDBN-JCZMADQFSA-N 486.546 2.048 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)C3CCC(O)CC3)CC2)CC1 1838796415 IRBZFOCTTGFZJY-XBXARRHUSA-N 488.581 2.366 10 20 JECD CCc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1 1839433900 GAPIPBWLMBPNAA-HSZRJFAPSA-N 475.929 2.092 10 20 JECD O=C(/C=C/c1ccsc1)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccc(O)c(O)c1O)CCO2 1840880164 ZJKNPVDQVFPHJF-GQPYDGMQSA-N 486.546 2.048 10 20 JECD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1)c1ccccc1 1840891226 GDQNZIOGBPWAJN-HRFSGMKKSA-N 490.560 2.039 10 20 JECD COc1cc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc(Cl)n1 1844565055 VVWSDFPSQFODTA-GQCTYLIASA-N 459.886 2.391 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cc([N+](=O)[O-])ccc1F 1848058355 UYWCTODIAJVWHE-GTNXSQNJSA-N 471.441 2.308 10 20 JECD COc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1-n1nnnc1C 726701569 RTQZXBJEVNTZHU-UHFFFAOYSA-N 455.494 2.401 10 20 JECD CN(C)S(=O)(=O)c1cccc(C2=N/C(=C\c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)c1 727289898 LPVJHCNUXBXIIX-UYRXBGFRSA-N 459.499 2.257 10 20 JECD CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(Cn4nc5ccccn5c4=O)c3)ccc21 747017481 LXHFBTIKJZGFEO-UHFFFAOYSA-N 470.533 2.182 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@H]1CCN(CC(F)(F)F)C1 747104717 ZAFHDVDGPREJSO-KRWDZBQOSA-N 481.498 2.378 10 20 JECD Cc1cc(C(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2O)c(C)n1-c1ccc2c(c1)OCCO2 747346587 PUHVSGHORLDZGS-UHFFFAOYSA-N 486.502 2.258 10 20 JECD CN(CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)Cc1ccc(N2CCOCC2)cc1 764860742 JKORSNXYLGGDEE-UHFFFAOYSA-N 451.571 2.331 10 20 JECD O=C(CN1CCOCC1)Nc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 916673956 YDEDSEJZIBDXJD-UHFFFAOYSA-N 471.533 2.255 10 20 JECD O=C(CNC(=O)COc1ccccc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 917380544 DGJMFNNXZOBIDA-UHFFFAOYSA-N 451.445 2.353 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 918308854 AYZQABNCVFKXHD-UHFFFAOYSA-N 488.610 2.151 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782006979 DMRWEYHIHCYRJX-LJQANCHMSA-N 488.850 2.261 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]32)cc1 1790124247 GXHDQIGUKHUQPP-NQCBNZPSSA-N 466.582 2.199 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)cn3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243303 FMNFAYBMPMBBKB-UVIMBBFXSA-N 463.893 2.121 10 20 JECD O=C(/C=C/c1ccc(O)cc1Cl)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1791190339 OLVBDHNUUCXLEM-KZDRFYRXSA-N 473.913 2.159 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)nc1C 1792218749 PRZYTGSYFZTCMN-URZAVPNBSA-N 467.522 2.122 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccc(F)cc2)CC1 1793789158 ARZRDBBWANZCIG-MRSFGVLCSA-N 490.535 2.240 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(c2ccc(F)cn2)CC1)c1cc(O)nc(O)c1 1801369802 XHEMWTNGHLMQAD-REPLKXPHSA-N 469.517 2.195 10 20 JECD COc1cccc(Cl)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1801800737 QEJZDRDXHLVQGL-RSQQPWMTSA-N 496.951 2.345 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccccc1F)C2 1802082475 MXOBANFYPXUGIW-IGDSGAALSA-N 470.497 2.178 10 20 JECD Cc1noc(N)c1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1807106196 QAGNTZDGDJVPFH-VGOFRKELSA-N 487.520 2.073 10 20 JECD COC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808464471 MDBCGHWZNHWFHH-PGRDOPGGSA-N 463.538 2.305 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2CCOCC2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468521 RXKJGDUVOXYFMD-YKSBVNFPSA-N 475.549 2.307 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(C(=O)O)ncn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811797560 GMVLLCREWVAOSC-BFUOFWGJSA-N 497.895 2.268 10 20 JECD COc1ccc(COCC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1813166956 NGOZQYRYKDEUSL-DFBJGRDBSA-N 492.532 2.433 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccn1 1813508611 KOCDODYMQLEHNC-HZUJVAHNSA-N 483.619 2.146 10 20 JECD CCOC(=O)N1CCC(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)CC1 1814059772 JQGBTTPFESUMEI-XMSQKQJNSA-N 497.552 2.076 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)C2(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1814188967 HXUDSVPICBQELB-XJKSGUPXSA-N 486.541 2.290 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](CNC(=O)CNC(N)=O)[C@H]2c2cccnc2)cc1 1814228371 QSDSJYZVJWWFOF-XUZZJYLKSA-N 474.565 2.477 10 20 JECD COc1nccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1F 1816722600 QIXADDXRDIUGCZ-JTQLQIEISA-N 459.459 2.032 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1 1816728678 LEBPUAJSNVQMOH-CQSZACIVSA-N 491.533 2.378 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2nc(O)n3c2CCCC3)CC1 1829134551 LUTYYAOQSXKJME-KRWDZBQOSA-N 469.542 2.278 10 20 JECD C[C@@](O)(C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)C(F)(F)F 1833644073 IDFFJVJDWBXVDY-HXUWFJFHSA-N 493.910 2.250 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccnc(Cl)c1 1834195089 ZXOZRWOOGMRFSP-UHFFFAOYSA-N 459.934 2.040 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CCCCn3cccc3)CC2)CC1)c1cc(O)nc(O)c1 1834987092 DJIOLPXRYNSZEA-UHFFFAOYSA-N 469.586 2.350 10 20 JECD O=C(COCc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835371046 DNMZWZFWQOLCHB-XMMPIXPASA-N 490.940 2.038 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3cccc(C(F)(F)F)c3F)C2)C1 1836418978 KDKAWOCDFWYPRK-OAQYLSRUSA-N 499.417 2.035 10 20 JECD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(C)c1 1839025505 TZYJQLLNABWUQD-XMMPIXPASA-N 490.940 2.452 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)cc1 1839348972 WTMVKIKOBFMTDZ-HHHXNRCGSA-N 489.576 2.197 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1839659985 DBYHOMPGUKUUOG-FYSMJZIKSA-N 489.956 2.095 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C4=COCC4)CCO3)C2)cc1 1840562420 QRRDWGHSLZJMDX-AREMUKBSSA-N 465.550 2.468 10 20 JECD COc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1840686533 QSKNYOCLHZMWPZ-HSZRJFAPSA-N 494.903 2.283 10 20 JECD CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1=O 21278128 JGXQOSKZESDPNF-DEOSSOPVSA-N 454.502 2.340 10 20 JECD CSc1cccc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCS(=O)(=O)CC4)C3=O)c2C)c1 729154080 ZKNWOAIRFNLRCI-UHFFFAOYSA-N 475.592 2.498 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3cccc(CN4C(=O)CSC4=O)c3)CC2)cc1 742920595 KPJZRZLYGVMFSE-UHFFFAOYSA-N 468.579 2.443 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)C4CCCCC4)CC3)CC2)cc1 743363981 ZIVJMEQSXWZTCG-UHFFFAOYSA-N 457.619 2.251 10 20 JECD CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 744290023 VXNBNUTVJGLDIW-IRXDYDNUSA-N 457.554 2.045 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H]2CSCCS2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 899043206 VUMVODXHMLPMSD-GOSISDBHSA-N 454.595 2.316 10 20 JECD C[C@H](OC(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 915403319 RMVMDWOIUVTFAT-AWEZNQCLSA-N 497.463 2.448 10 20 JECD Cc1ccc(S(=O)(=O)NCCCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1C 918373441 ZOGOWOLKITXIJF-NRFANRHFSA-N 486.638 2.380 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3sc(-c4c(C)c(C)nn(C)c4=O)nc3C)nc12 919128067 MYAVMAMKMHYBOL-UHFFFAOYSA-N 498.521 2.111 10 20 JECD CCN(Cc1ccccc1)C(=O)CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 920050456 ANWXHBHZOXCDQA-NRFANRHFSA-N 451.571 2.236 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(CCN4CCCC4)cc3)cc2)C1 920193761 IPDFEJAIOWMALG-QFIPXVFZSA-N 477.609 2.282 10 20 JECD C[C@@H](NC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 920868603 GBLFRRBDRNCDCV-OAQYLSRUSA-N 465.598 2.228 10 20 JECD Cc1cc(C(=O)COC(=O)Cn2nc3n(c2=O)CCCCC3)c(C)n1-c1ccc2c(c1)OCCO2 1317799236 BBXASXFUHUGHRW-UHFFFAOYSA-N 480.521 2.376 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3ccc4occc4c3O)C2)C1 1782399748 UXFHFRAEMIEBKQ-KLWTWKFNSA-N 480.473 2.412 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2c(c1)OCO2)C1=NN(c2ccccc2)C(=O)C1 1795733294 BMHRXVYCGLRDSA-FNLKRUPLSA-N 474.517 2.389 10 20 JECD Cc1cnc2c(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)/C=C/c3ccc(O)c(O)c3O)C4)cnn2c1 1798079863 CYUNCQLXNVSFJY-ZURAMSNBSA-N 463.494 2.120 10 20 JECD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1800701415 XWJWWAOFIQIUKY-CLLJXQQHSA-N 480.543 2.154 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1801896296 FOIGFLJDFMXYJD-LVJQVDSHSA-N 486.569 2.392 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1804291716 VZLOMSMYEDTAMM-RLDAGSACSA-N 489.528 2.365 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cnccn1 1805435153 FKVWKJPKDOYBAY-RKUWUGLRSA-N 461.478 2.021 10 20 JECD CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1807072186 DNKGEELUFDIQBX-BYYBNQSPSA-N 476.581 2.254 10 20 JECD CC(C)n1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n1 1807994244 DZJSBPKMYINZKO-IIBYNOLFSA-N 450.499 2.299 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1c[nH]c2ncccc12 1809126084 RZJCSTBHLNSKEU-MGPUTAFESA-N 494.602 2.138 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)C1=COCC1 1813596949 VOYAIFODGGNXPJ-RKUWUGLRSA-N 451.479 2.222 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc(CO)c(F)c1 1813994969 LWBJUXLBAAXQBO-OPAMFIHVSA-N 466.469 2.153 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cccc(F)c2)[C@H]1c1cccnc1 1814189153 BDGPLURNFNCSHB-UZLBHIALSA-N 472.567 2.401 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1cc(=O)cco1 1816648740 IQYAVZZIVSGGEV-LJQANCHMSA-N 474.477 2.462 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1COc3ccccc3O1)CC2)c1cc(O)nc(O)c1 1816722366 YYTLIMIPBUQZBK-BLLLJJGKSA-N 468.491 2.015 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)c1ccco1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817358522 YYJGRKCLIPUJSD-ZUOKHONESA-N 479.518 2.175 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1n[nH]c2ccccc12 1819070995 LEPCEAONDYQCSU-HNNXBMFYSA-N 483.579 2.452 10 20 JECD COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)cc1 1822225338 BFLSSXXDCWKZBZ-LBPRGKRZSA-N 476.605 2.238 10 20 JECD O=C(CCN1CCOC1=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823711074 UDTXDNMZAIBVEQ-NSHDSACASA-N 480.930 2.276 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)CN2CCSCC2)CC1 1823720818 KJWDFQXZZOLKFL-HSZRJFAPSA-N 497.665 2.448 10 20 JECD CC(C)(C)[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833287417 CKLGTMVFJSAIJN-FQEVSTJZSA-N 467.994 2.343 10 20 JECD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)C1 1838031756 KELFDUKULNLQJG-IAGOWNOFSA-N 489.569 2.084 10 20 JECD Cc1nccc(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)n1 1838110587 ZUTVHSBJXCOXBK-UHFFFAOYSA-N 490.564 2.190 10 20 JECD CCc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1Cl 1839434209 VAMNNODFXNBCBU-OAQYLSRUSA-N 499.351 2.074 10 20 JECD O=C(c1cnn2c(-c3ccsc3)ccnc12)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249923 QWGOJSAFVKPSLJ-UHFFFAOYSA-N 476.518 2.395 10 20 JECD COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)c3sc4nc(C)cc(C)c4c3N)C2=O)cc1 14152125 SUXLJLBERWAERD-HSZRJFAPSA-N 497.533 2.159 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H]2CCCN2S(C)(=O)=O)c(C)n1-c1ccc2c(c1)OCCO2 18360920 GRTGDQJAKCXQRF-SFHVURJKSA-N 462.524 2.015 10 20 JECD COc1ccc(CN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@H]2CCS(=O)(=O)C2)cc1 27651364 AVSUCAFNXPELAM-QFIPXVFZSA-N 487.622 2.042 10 20 JECD COc1cc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)c([N+](=O)[O-])cc1OCC(=O)O 518075075 KSFWOSAQLRUGKC-IZZDOVSWSA-N 467.390 2.419 10 20 JECD CCS(=O)(=O)CCNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 727718858 OZYWBBRZPJWYFR-UKTHLTGXSA-N 477.427 2.201 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)cc2)C1 751348439 AEUAZNXPAYXVRG-SFTDATJTSA-N 488.592 2.433 10 20 JECD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCc1ccc(N2CCCC2)cc1 915082719 XDRKJFCQXVQLNC-UHFFFAOYSA-N 459.568 2.433 10 20 JECD COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4cccc(Cl)c4)C3=O)CC2)cc1 915797977 VLABCVSAJXLICD-QHCPKHFHSA-N 456.930 2.464 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3ccccc3CN3C(=O)CNC3=O)CC2)cc1 916687863 MJQKNBCTPDOKBI-UHFFFAOYSA-N 480.569 2.081 10 20 JECD COCCOc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1C 917930218 NAXHQYVGEUDMGI-IBGZPJMESA-N 461.584 2.200 10 20 JECD CCOC(=O)c1ccc(N2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)nc1 918222870 AKIOSEZCBCUWRL-UHFFFAOYSA-N 471.533 2.266 10 20 JECD Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918283446 KMSDQNLCSJSRKC-UHFFFAOYSA-N 456.518 2.062 10 20 JECD CNC(=O)[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c2ccccc2O1 918308805 QQHPLTORUYCDJN-QFIPXVFZSA-N 450.539 2.176 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)cc1 918428971 GDONCKNSLLNCAX-UHFFFAOYSA-N 457.962 2.377 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)cc1C 919958115 YYWRYXQRAJNDJE-UHFFFAOYSA-N 456.498 2.027 10 20 JECD C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 920637613 LBTXRVLOWXFNGW-SECBINFHSA-N 458.395 2.269 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)ccn1 1783222000 WYMRKSDIAQQDED-PLOYQGSLSA-N 467.522 2.348 10 20 JECD C[C@H](NNc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790242463 PGIPTGIOSZXHAR-YYJDGNJWSA-N 488.972 2.350 10 20 JECD Cc1cnc2c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3=NN(c4ccccc4)C(=O)C3)cnn2c1 1796934458 GPJJJHSFCBVCDA-GGPHIMKMSA-N 471.521 2.082 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc(OC(F)F)cc1 1799590723 IDPOCCHHYNNTFT-VYBCAQGZSA-N 490.459 2.321 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1802864434 ZOLQALGPZRHVBZ-DKICVRJWSA-N 485.541 2.121 10 20 JECD CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1803166681 HYONWDGNURXTJT-IEELULIMSA-N 480.565 2.402 10 20 JECD COCC1(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)CC1 1803545759 IRDYKLLBWODAFE-NMOZIBFBSA-N 467.522 2.344 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1cc(O)ncn1 1803741736 PNTVKUFKVCTSGC-YJYMSZOUSA-N 469.885 2.275 10 20 JECD Cc1cc(C)n(CC(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1804578626 ASYYWBNERHFOOZ-MMXNXPDASA-N 491.548 2.431 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(O)nc(Cl)c1 1805037492 WLXUNWSVVQAYAQ-XCLFUZPHSA-N 469.885 2.275 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)[C@H]1c1cccnc1 1814166842 ULMILUFVSMUSGU-DJARWNEWSA-N 467.522 2.344 10 20 JECD COc1cccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)n1 1817843462 PFCOPUAMDMXBFW-MRXNPFEDSA-N 452.471 2.168 10 20 JECD Cc1cc(C)n2ncc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)c2n1 1817845195 FTHRRZHINGDENL-QGZVFWFLSA-N 476.497 2.495 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCCC3)[nH]n1)c1cc(O)nc(O)c1 1817846433 XIWDINBSIIURRN-QGZVFWFLSA-N 451.487 2.368 10 20 JECD CC(=O)N[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc(F)cc1 1822455925 LDHOFJGCMOIZIY-YWZLYKJASA-N 499.524 2.192 10 20 JECD Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cn1 1823495990 ADOWZLYMMBXSJC-INIZCTEOSA-N 472.596 2.208 10 20 JECD O=C(COc1ccccc1F)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031710 GIBQCLGOEKLXTH-UHFFFAOYSA-N 473.501 2.323 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1 1838605978 GVSSVAPVVJWBKW-UHFFFAOYSA-N 497.589 2.437 10 20 JECD C[C@H](Cc1ccco1)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838811962 WCFYKPQTKAYQLL-MRXNPFEDSA-N 493.651 2.317 10 20 JECD Cc1cc(F)cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1840881089 BULVWCMMYRIKTP-YQVIQHHGSA-N 486.496 2.034 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)c2ccccn2)C1 1842386833 VSYPUZZCBHGDMP-LJQANCHMSA-N 496.564 2.446 10 20 JECD Cn1cc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c2cccnc21 1843441995 ZOTIDRFGWVHKQC-UHFFFAOYSA-N 456.506 2.183 10 20 JECD C[C@@H]1Oc2ccc(C(=O)N3CCCC34CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)cc2NC1=O 1844729194 VMNXZXKANUGCLS-INIZCTEOSA-N 487.516 2.016 10 20 JECD COCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 36625037 RIALOZSHVMSTNW-UHFFFAOYSA-N 461.584 2.029 10 20 JECD CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 743432514 NXBBGTRGSMPXBN-UHFFFAOYSA-N 481.597 2.054 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CCN3C(=O)[C@H](C)Oc4ccccc43)CC2)cc1 761183497 MGQBHVUBUGGLFW-SFHVURJKSA-N 467.522 2.091 10 20 JECD O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 915921769 IEXVTMXHMCDPFB-NRFANRHFSA-N 489.594 2.304 10 20 JECD CCn1c(=O)n(CC(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c2ccccc21 919035261 QMTPCPUEUJYZET-QZTJIDSGSA-N 498.555 2.435 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)nc12 919086406 ZBNPVUXBUMLPLZ-QGZVFWFLSA-N 466.494 2.136 10 20 JECD O=C(COC(=O)C1CCN(CC(F)(F)F)CC1)NCc1ccc(N2CCOCC2)c(F)c1 919167356 ZPRBETPIGUBEQH-UHFFFAOYSA-N 461.456 2.096 10 20 JECD CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 919840659 VKFXHOLNOBFGON-MRXNPFEDSA-N 465.597 2.251 10 20 JECD CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)ccc1F 920014688 BTCYUTVMMREDJQ-UHFFFAOYSA-N 483.587 2.343 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)cc1 920251607 DMMAURDSYCDVDE-HJWRWDBZSA-N 498.536 2.184 10 20 JECD COc1ccc(CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c(F)c1 1778858604 AKGCQFMEMJCJQE-CJFMBICVSA-N 487.528 2.401 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1779618530 STYPZFGYYBNTPN-LJQANCHMSA-N 456.833 2.100 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C3)cc1 1780986544 ATTJHZSYUCNFJT-YIXXDRMTSA-N 495.624 2.493 10 20 JECD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)ccc1F 1781678588 OSLGVRXCSWGHNS-BSBODGDASA-N 456.470 2.408 10 20 JECD O=C(CS[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007705 WGSMDBZDYJHDDO-GHTZIAJQSA-N 470.975 2.455 10 20 JECD Cc1cc(C)c(OCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)c(C)c1 1784359714 HXFHSZFYVWQUJR-IHPCNDPISA-N 469.538 2.090 10 20 JECD COc1ccc([C@@H]2C[C@H]2C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785503251 FVSNJKYXCJOEJT-ZBPCSLSESA-N 494.544 2.459 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cc(F)c(F)cc4[nH]3)C[C@@H]21)c1cc(O)nc(O)c1 1787291908 IWDABEXTPPHRIT-KLRAXDNASA-N 472.448 2.159 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)ccc(Cl)c3F)C[C@@H]21)c1cc(O)nc(O)c1 1787294622 WRANOAJXVKRBCS-WBIUFABUSA-N 467.856 2.332 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)ncn3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790244173 RYAGFJOIUYFUAM-PKWAYOAASA-N 467.309 2.102 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1nn(-c2ccccc2)c2c1COC2 1796600432 IIZYMBHLAVCVPN-VBUUOAMHSA-N 475.505 2.274 10 20 JECD CO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796749459 XNZIUWOHAGXCPK-CMWLGVBASA-N 474.602 2.378 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C1\C(=O)Nc2ccccc21 1798349450 OFQKKALCCILRGG-RNPRSOSVSA-N 475.501 2.491 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)ccn2C)cc1 1798529427 KEOLFFTYUCCCGU-GQEURGSBSA-N 474.561 2.310 10 20 JECD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799620375 GXSBDUHTTICKQL-BRTYFSMRSA-N 491.592 2.454 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@H]1CCc2ccccc21 1801116444 YMIXPQQTDSHUDC-HJYPNGPWSA-N 464.518 2.136 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cc[nH]c3c1)C2 1802079580 LMBHZBWVQORPAE-OFZGJKQNSA-N 463.490 2.201 10 20 JECD O=C(CSc1ccncc1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804349436 HKHIVBFPBLWGSI-OPAMFIHVSA-N 465.535 2.395 10 20 JECD O=C(Cc1ccccc1F)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1806534014 YCQLCDHQKUSCBT-HTAPYJJXSA-N 486.594 2.330 10 20 JECD CC(C)N[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)C(C)C 1807328589 GOPGLJZKHIHZGV-WTNAPCKOSA-N 455.559 2.230 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)cc1 1808266795 CRURKSKZKZDBNX-XWGVYQGASA-N 460.582 2.095 10 20 JECD CN1CCCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808463562 DAYSRQSZUIJHAR-QFZRFWILSA-N 488.592 2.365 10 20 JECD CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162526 TWDXEQCLAUESJA-VRKUVLAYSA-N 496.564 2.080 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)Cn4cnnn4)sc3C2)cc1 1815685461 FTYNIHBAAAWVIS-KRWDZBQOSA-N 476.566 2.463 10 20 JECD COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)C1 1816728150 LEPDIMCHIVEAER-BZPMIXESSA-N 474.539 2.155 10 20 JECD CCOC(=O)O[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828197634 FTFXJYZODXBQBW-NNUUWNPISA-N 491.522 2.447 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cncn3c2)CC1 1828707144 MGWCDHAZPATFKA-IBGZPJMESA-N 485.635 2.428 10 20 JECD CC(C)(C)n1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)nn1 1829790644 IMKOZTTXFJJAIE-QGZVFWFLSA-N 492.671 2.127 10 20 JECD Nc1n[nH]c(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)CC2)n1 1830739273 FMQGOFZFZRYYSX-MRXNPFEDSA-N 476.965 2.318 10 20 JECD Cc1nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)co1 1832898113 AAYHKXHHPKUJFS-INIZCTEOSA-N 450.586 2.077 10 20 JECD Cc1ccncc1CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837170637 VATWJDARWNVCLT-UHFFFAOYSA-N 468.554 2.441 10 20 JECD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843443072 MUFJNUBKFKXFFY-SFHVURJKSA-N 483.569 2.286 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 32717866 RSRXEPDQYOLPMS-UHFFFAOYSA-N 467.595 2.371 10 20 JECD COc1ccc(N2CCC(NC(=O)CCc3c(C)nc4c(C(N)=O)cnn4c3C)CC2)cc1 110426523 ANZHFNJEMJAVCI-UHFFFAOYSA-N 450.543 2.171 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCC(N2CCCC2=O)CC1 729599707 KKAKUXSHTCJKEH-UHFFFAOYSA-N 481.576 2.239 10 20 JECD CCN1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(C(=O)OC)c(F)cc3F)cc2F)CC1 730680710 FSDNBPUJCNIOMB-UHFFFAOYSA-N 478.471 2.287 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)CC2)cc1 731270455 LWDLIENWXGTWPB-NRFANRHFSA-N 465.550 2.439 10 20 JECD CC(=O)c1cccc(O[C@@H](C)C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 745219992 NTSCQJRQESFXND-KRWDZBQOSA-N 458.486 2.492 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3CN3CCSCC3)cc2)C1 747311743 OLICEJFRMKRORY-NRFANRHFSA-N 495.649 2.192 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(CC(=O)N4CCSCC4)cc3)CC2)cc1 749029700 LFLBZZOALNUXLL-UHFFFAOYSA-N 496.633 2.491 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 916624477 AOWALFVLXFXEMX-UHFFFAOYSA-N 485.635 2.216 10 20 JECD O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)NCc3ccc(N4CCSCC4)cc3)cc2)C1 917911672 KHJSPDSVWFEISG-QGZVFWFLSA-N 475.592 2.156 10 20 JECD NC(=O)C1(CNC(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)CCOCC1 918099434 YTMUIDTVQSWUJV-NTEUORMPSA-N 498.424 2.049 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(C)cc3OCC(=O)N(C)C)CC2)cc1 920194039 MLPHRPQSJWMQKJ-UHFFFAOYSA-N 468.554 2.148 10 20 JECD C[C@H](NC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(N2CCOCC2)cc1 920925139 HUNBTSCUPOVUEV-INIZCTEOSA-N 461.526 2.328 10 20 JECD COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 921063061 ORFXUDWRFAPCBI-BJMVGYQFSA-N 476.551 2.410 10 20 JECD Cc1nnsc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1778241379 YWLYAKHFQZYRRD-FOIQADDNSA-N 466.947 2.352 10 20 JECD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)N1C[C@H]2C[C@H]2C1 1779255038 ACSUKMWGFXRDRO-YPAJOZIUSA-N 477.989 2.219 10 20 JECD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)n1cccc1C=O 1782002798 WNVVBPFASWRFQV-RCDICMHDSA-N 461.902 2.070 10 20 JECD O=C(Cc1cccc(Cl)n1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005181 XVKXQTKLXHFNEP-NRFANRHFSA-N 466.321 2.486 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ncccc1C(F)(F)F)CCO2 1785507346 NUAVSNDFCDUVFG-LHXJMTLCSA-N 493.438 2.374 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccc2nccnc2c1 1788028102 YCIVJDMKUPGODR-WXVUKLJWSA-N 498.543 2.016 10 20 JECD COc1ccc(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)CCC2)cc1 1789856115 UPZPJNIEMUYSRI-NDXORKPFSA-N 481.549 2.217 10 20 JECD Cc1ccc(OCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1 1792786726 FBOAVMWUMXZEMQ-BJWYYQGGSA-N 461.609 2.262 10 20 JECD Cc1scc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1C 1794954927 NHRWVBYSJKAYDA-FAQVEIGNSA-N 466.563 2.361 10 20 JECD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)c1 1799236823 IWIFCJHKIXCJFQ-RBVVOMGSSA-N 455.471 2.033 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccn(C)c2=O)C3)cc1 1799620502 YSDZYHXOLZFDEA-RUMRUAAYSA-N 474.561 2.310 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(c2ccccc2)=NN1)C1=NN(c2ccccc2)C(=O)C1 1801212555 XUPLIDCZGQEUGE-UQWVPHONSA-N 484.560 2.184 10 20 JECD CCC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1803434593 NPOSAPHWHOSXKE-IAMHBRQHSA-N 474.945 2.381 10 20 JECD O=C(COc1ccc(O)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804282842 FCUGPNGTCDTFAM-VVNPQTHQSA-N 454.479 2.239 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2CCOCC2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468519 RXKJGDUVOXYFMD-HYBUGGRVSA-N 475.549 2.307 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)n1cccn1 1808470184 TZYLDVHCGLPGRS-LJFZDNNRSA-N 485.548 2.338 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCn2cncn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811809698 OSTLUAOZMAJKLK-QRWLVFNGSA-N 470.917 2.148 10 20 JECD CCO/C=C/C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814165847 LCOUCFIJHKMQQV-GWLKQIAVSA-N 453.495 2.468 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnnc3ccccc13)CC2)c1cc(O)nc(O)c1 1816726531 ZXQMJCKYRJAMGM-LBPRGKRZSA-N 462.491 2.432 10 20 JECD C[C@H](Nc1cccnc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1817323146 LYGKUFFBWHXWIL-GUYCJALGSA-N 451.487 2.417 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C1CCOCC1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817362765 VTEIJFCAGZWXAH-OAHLLOKOSA-N 467.551 2.275 10 20 JECD Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)ncc1[N+](=O)[O-] 1817622985 JUJYILOEWZCAIR-NSHDSACASA-N 470.467 2.101 10 20 JECD CCc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)nn1C 1820973168 NSONGRJCEGXIQV-OMDQHUAHSA-N 483.550 2.495 10 20 JECD COC1(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)CCC1 1823501541 ULKYPQXWOHFWEW-CQSZACIVSA-N 465.601 2.221 10 20 JECD COCc1oncc1C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828198462 GDMYUGNIVPYSMH-QBODLPLBSA-N 486.506 2.334 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)Cc1cccc(F)c1)CC2 1828242163 AXFIQZIGOMRTQQ-CYBMUJFWSA-N 478.596 2.297 10 20 JECD Cc1ccc(OCC(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc1 1828242218 FCSMQCBADADSAT-ZDUSSCGKSA-N 490.632 2.303 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccnc3ncccc13)CC2 1828246874 HALJHEBMQQNADB-LLVKDONJSA-N 498.615 2.172 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCS2(=O)=O)CC1 1831287075 GNSUMUBHRHREAZ-QWSUTHEZSA-N 492.594 2.014 10 20 JECD Cc1ncccc1CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834986035 VUXMSOXQWGASDW-UHFFFAOYSA-N 467.570 2.014 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C[C@H]3CCCCO3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134352 GZZMSNMYJTXQGT-HSZRJFAPSA-N 495.624 2.310 10 20 JECD CC1=CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CC1 1840880778 LHNKSUNZZHORPE-RBYHXMTESA-N 472.538 2.019 10 20 JECD CC(C)OCC(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1841127857 DXANPCBDZSKCQQ-SFHVURJKSA-N 491.585 2.162 10 20 JECD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1845442119 RLVJFLXMYSMCIV-YVLHZVERSA-N 459.886 2.338 10 20 JECD C[C@H](N[C@H](C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2)C1CC1)c1ccccc1 1845886534 LZZYLLKAUNUUOK-KKSFZXQISA-N 486.663 2.180 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 728980571 KVGOGZDHKUZARV-OAHLLOKOSA-N 476.551 2.450 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)c4ccsc4)CC3)CC2)cc1 742940033 PSYHWXZYRNHDFG-UHFFFAOYSA-N 457.600 2.046 10 20 JECD O=C(O[C@H]1CCOC1=O)c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O 864094458 GFTVGZICZWSOHT-HNNXBMFYSA-N 456.816 2.227 10 20 JECD COC(=O)c1sc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c(C(=O)OC)c1C 912980754 RSSKUJKNPRMRAN-UHFFFAOYSA-N 496.972 2.455 10 20 JECD O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCN(Cc2cccnc2)CC1 913660767 GGEHOLQWLNCVLV-UHFFFAOYSA-N 497.533 2.454 10 20 JECD CS(=O)(=O)N[C@H]1CCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 915203807 SMANLSJHYDWAAG-WZMONFQBSA-N 473.667 2.270 10 20 JECD Cc1cc(CC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(Cl)cc1 915296331 GHVGXBUXQLWUFZ-SFHVURJKSA-N 451.976 2.100 10 20 JECD COc1cc(N2C[C@@H](C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2=O)cc(OC)c1OC 917709459 XUEVDOXMRWTDAK-KRWDZBQOSA-N 487.528 2.357 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2)C1 918000948 ULRKHPIBOCILOJ-FGZHOGPDSA-N 492.624 2.089 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)cc2)C1 918030655 SBDNJVLXSYOMTC-GOSISDBHSA-N 471.583 2.250 10 20 JECD Cc1cc(C(=O)COC(=O)CCN2CCCS2(=O)=O)c(C)n1-c1ccc2c(c1)OCCO2 919435257 CUAFHISIPYFAFL-UHFFFAOYSA-N 462.524 2.017 10 20 JECD C[C@@H](NC(=O)C1CCCC1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919701259 RQBFRLSHRJENDS-QGZVFWFLSA-N 454.550 2.253 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc(Cl)nn1 1779630329 BGFWOXSKJNFJQP-NTKDMRAZSA-N 496.955 2.050 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)Cc3c(F)cccc3F)C2)C1 1780808597 PANZNIDCHLEIIF-SXBBHYFQSA-N 474.460 2.167 10 20 JECD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1F 1785503831 RUQWTQQOEVGDHJ-PTGVWUEVSA-N 472.469 2.108 10 20 JECD O=C(Cc1ccc2ccccc2c1)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785538227 MCQRSCDLNRJRBJ-XMMPIXPASA-N 483.615 2.073 10 20 JECD CC(C)(C)n1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)c1Cl 1787292138 ZJTHKGJTYOMGGD-RCBQFDQVSA-N 477.949 2.005 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@H]1CCc2ccoc2C1 1793120515 KMPDZJUUXFAAGI-NTNQKNOYSA-N 460.914 2.353 10 20 JECD O=C1COc2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C3=NN(c5ccccc5)C(=O)C3)C4)cc2N1 1798108657 KKJYLWMHPOZCMV-GGPHIMKMSA-N 487.516 2.062 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(=O)Nc2cccnc2)C3)cc1 1799620829 FWANIVYPRBDGHK-RUMRUAAYSA-N 487.560 2.331 10 20 JECD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799770326 NBYOGNHSKVVBCX-CXHZTBPHSA-N 497.976 2.258 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccccc3F)CC1)C2 1802082442 LRLNKDAZWZUXIJ-QUKZKKHZSA-N 482.508 2.277 10 20 JECD O=C(CNc1ccc(F)cc1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807069099 YEXHGWTWQOEOKQ-MWTRTKDXSA-N 465.485 2.459 10 20 JECD Cc1nocc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808468030 MYLYZRNOWKGQBD-FDDCHVKYSA-N 472.505 2.491 10 20 JECD COC(=O)CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1813141003 UMWJICLRTVCEBJ-GAJHUEQPSA-N 470.526 2.331 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)/C=C/c2cnccn2)[C@H]1c1cccnc1 1814166621 REZVMQZSAXVRCB-CCOKJDBKSA-N 487.516 2.421 10 20 JECD CCS(=O)(=O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1815174072 KWHMXTWYOSJVNJ-AWEZNQCLSA-N 470.935 2.215 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc(O)nc(Cl)c1 1816188992 IZBWSTUDNLDDKC-LBPRGKRZSA-N 494.986 2.330 10 20 JECD CCCNC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362986 DXDOMJLJKXNKCW-OAHLLOKOSA-N 496.593 2.154 10 20 JECD O=C(/C=C/c1cnccn1)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367193 RQTWJNKXZCXMPI-HEWZJLJBSA-N 487.545 2.351 10 20 JECD C[C@H](Nc1ccccn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1819622396 IBGCFMVGZLRKMK-ZFWWWQNUSA-N 487.611 2.158 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc(O)c(F)c1 1821095053 ULAKMSSUFDFYBD-CQSZACIVSA-N 477.543 2.421 10 20 JECD COc1ccc(COCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)cc1 1826290909 IOOYDRUXRHYJMA-HNNXBMFYSA-N 484.534 2.401 10 20 JECD CC(=O)N/C(C)=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717497 KBNGMIRMHVSOTP-YJCCFKNTSA-N 479.581 2.439 10 20 JECD CN(C)c1ncc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)o1 1834095978 DFKZEEOXMOLEPG-UHFFFAOYSA-N 491.976 2.304 10 20 JECD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cnc1C 1834988325 XQBPMAFEILWLDH-UHFFFAOYSA-N 453.543 2.004 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccncc3F)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132796 OXDDNGNYOVSRPS-UHFFFAOYSA-N 492.555 2.199 10 20 JECD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(C)n1C 1839433656 NZNOSQNAXFHHGF-HSZRJFAPSA-N 477.945 2.090 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)C1 1843251338 VDLLAVWHBDPYRR-HSZRJFAPSA-N 474.558 2.347 10 20 JECD CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846267449 NBRAORWMCHJTON-MRXNPFEDSA-N 462.547 2.249 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)cc2Cl)C1 1846300731 GIVBPQUXOIMTEA-HWKANZROSA-N 465.984 2.123 10 20 JECD CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C[C@H]2C[C@H]21 1847035391 XSWHVBADKWUZFX-RDGSOWEOSA-N 499.564 2.418 10 20 JECD O=C(c1cnc2ccc(C(F)(F)F)cn12)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055502 GPXWWHDALRBHHN-UHFFFAOYSA-N 497.524 2.030 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N3CCN(c4cccc(C)c4C)CC3)nnc2n1 104970121 BWEQWHILBLHCTK-UHFFFAOYSA-N 469.619 2.441 10 20 JECD COC(=O)COc1ccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)OC)c3)cs2)cc1 727247893 SIRDDEKPACRGND-UHFFFAOYSA-N 451.482 2.277 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 728194891 FXZWEZSKLXPKOE-UHFFFAOYSA-N 488.566 2.355 10 20 JECD CNC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1 728678248 HDWYZQWAUWPIIC-CYBMUJFWSA-N 457.442 2.401 10 20 JECD C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)C1 731280835 DWFBZDFREFIPQS-TZIWHRDSSA-N 489.636 2.309 10 20 JECD COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)CC2)cc1 757451559 ULCJDBDHRUDEMS-RUZDIDTESA-N 450.539 2.287 10 20 JECD CCCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)CC1 916040616 ACHDWPRTPIBIAS-UHFFFAOYSA-N 480.675 2.165 10 20 JECD COCCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 916631959 OZSVJLXYNRZOQC-UHFFFAOYSA-N 472.508 2.226 10 20 JECD COc1ccc(C(=O)NCCCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 917832856 ILHQSTLOXUDQHJ-HXUWFJFHSA-N 452.555 2.223 10 20 JECD CSCC[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)N1C(=O)c2ccccc2C1=O 917833729 SXKCYCUMFRIBCE-AVRDEDQJSA-N 494.617 2.422 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2F)C[C@@H](C)O1 918965874 MPOGLSCUBTVCFV-GASCZTMLSA-N 483.496 2.138 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)cc2F)C[C@@H](C)O1 919093527 NMJBCJKBSSWCKW-LZWOXQAQSA-N 489.466 2.010 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)Nc1ccc(F)c(F)c1 919800221 OBJDGOJIHCURJV-UHFFFAOYSA-N 470.455 2.475 10 20 JECD C[C@@H]1Cc2cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2N1S(C)(=O)=O 919969805 ZOBUYYZAPAMRGH-OAHLLOKOSA-N 461.559 2.427 10 20 JECD C[C@H]1CN(Cc2ccccc2NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 920194851 JVOCJNUNDCOVEJ-BGYRXZFFSA-N 466.582 2.387 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccc(N2CCOCC2)cc1 920924660 CVRBBQRQXQSQIP-GOSISDBHSA-N 450.539 2.462 10 20 JECD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)c1 1319582038 HWAWJVOFGXUBNO-UHFFFAOYSA-N 455.964 2.302 10 20 JECD Cc1ccnc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1778176405 BZYJUEYOWSYBTO-PLOYQGSLSA-N 467.522 2.348 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)C2)cc1 1781755257 JERNCQVFPVMAFO-FTJBHMTQSA-N 483.565 2.153 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1781939139 OAIHVTNNNBEEGA-OAQYLSRUSA-N 477.857 2.122 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)c2n1 1782007627 VOGYMAPLMQNVQB-HSZRJFAPSA-N 486.912 2.393 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3cccc4ccncc34)C2)C1 1782249768 UYQHXUWCDIKJIZ-HHHXNRCGSA-N 483.528 2.471 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)CCOc1ccc(F)cc1)CCO2 1785503569 KOGGUXRCYJLWNC-SFOUQWOSSA-N 486.496 2.255 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc2scnc2c1 1797496268 DFGXIYBLGQODRM-NCLGQRILSA-N 481.530 2.330 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCSCC2)C3)cc1 1799621404 LMNIGCYHEUTVFN-BRTYFSMRSA-N 482.650 2.346 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccnc1Cl)C2)c1cc(O)c(O)c(Cl)c1 1799767576 YQHNKLBCDALQIS-ZSBFGKGUSA-N 466.321 2.246 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804186386 JRQIMAUHAGTCAQ-QNIAMRLHSA-N 487.560 2.264 10 20 JECD COc1ccc2[nH]cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CN3C(=O)CSC3=S)c2c1 1804333571 SBRUQRMWGDTHHR-BTTYYORXSA-N 472.592 2.289 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cc(=O)cco1 1806131116 DIAHFYDTWRSHLI-OUWGLZAPSA-N 477.473 2.185 10 20 JECD CCc1cc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n[nH]1 1807767488 PBCDQIMHCMRFIF-MHECFPHRSA-N 485.548 2.480 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ncn(-c2ccccc2)n1 1808556716 ZFHIQGWMHJNUHM-VGSWGCGISA-N 485.504 2.102 10 20 JECD COc1ccsc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814189199 BWAMUDVWKQIAPH-KDOFPFPSSA-N 490.632 2.332 10 20 JECD O=C(CCN1CCCC1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1814265450 ORLKOJFVDKVBCX-HFZDXXHNSA-N 488.592 2.366 10 20 JECD CC(=O)c1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)n[nH]1 1816292375 JWKXCGRQWNREGD-HXUWFJFHSA-N 488.508 2.434 10 20 JECD O=C(Cc1cccc(Cl)n1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816721629 NHCWFOFBXSRYDJ-GFCCVEGCSA-N 459.915 2.466 10 20 JECD CCn1nccc1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362390 MTWONIWDDAJSCT-CQSZACIVSA-N 477.550 2.378 10 20 JECD Cn1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)cn1 1827715965 XFKOBTDHWVHXFY-JOCHJYFZSA-N 462.554 2.446 10 20 JECD Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c(C)n1 1834988719 IMFTXFBOZKYALA-UHFFFAOYSA-N 453.543 2.004 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1nccc3[nH]ccc13)CCO2 1836445502 QJYWDWHVZADJSU-HSZRJFAPSA-N 486.912 2.011 10 20 JECD CN(C)CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837802603 ONFVJJKSSUMEAT-UHFFFAOYSA-N 453.967 2.315 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838104555 RRKXDPPWPHPZIW-AWEZNQCLSA-N 481.977 2.230 10 20 JECD COc1cc(C)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)c1 1839433172 NWDDHLOHNIPSJQ-DEOSSOPVSA-N 490.940 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cccc3nc(C(F)(F)F)[nH]c23)C1 1843773396 LDLJBSVXQGQVFX-UHFFFAOYSA-N 497.524 2.259 10 20 JECD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1 215813963 NIPHANWCXYNVJF-XMMPIXPASA-N 476.577 2.332 10 20 JECD O=C(O)c1cc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c[nH]1 751268256 ZEYRACHFWPOAIR-UHFFFAOYSA-N 479.492 2.086 10 20 JECD COc1c([N+](=O)[O-])cc(N2CCN(CC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1Br 835863014 POCPBIUIIOQHLQ-UHFFFAOYSA-N 472.296 2.019 10 20 JECD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 888338095 ODDOGKOJSLWKHO-OAQYLSRUSA-N 464.574 2.010 10 20 JECD CCN(CC)c1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 916502135 AACMQOBPCIOXFH-UHFFFAOYSA-N 461.584 2.492 10 20 JECD O=C(CN1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1)N1CCCCC1 916631933 OBKFCVHOCXTCRA-UHFFFAOYSA-N 497.562 2.382 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3cc(C(=O)O)ccc3Br)cc2)C1 917930284 PNKDXKSDBRMQBM-HNNXBMFYSA-N 496.383 2.328 10 20 JECD Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918438455 PNPXEOZDYRRWCV-UHFFFAOYSA-N 456.518 2.052 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 918439929 YJHCVLSGGAOFIX-UHFFFAOYSA-N 474.608 2.035 10 20 JECD COc1ccccc1C(=O)NCC(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918968156 WKZNAHFFUFKLMZ-IAGOWNOFSA-N 487.528 2.037 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3cccnc3-n3cccn3)cc2F)C[C@@H](C)O1 919057528 JNBLDPNZTXMOMG-IAGOWNOFSA-N 467.501 2.493 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C3CCN(c4cnccn4)CC3)cc2F)C[C@@H](C)O1 919073227 YJCLSNNBVAVKHR-HDICACEKSA-N 485.560 2.305 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cccc(N4CCNC4=O)c3)cc2F)C[C@@H](C)O1 1317938462 CNGJXVAHQJGEPG-CALCHBBNSA-N 484.528 2.442 10 20 JECD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 1335808867 YETNZVNVIORMFQ-ULQDDVLXSA-N 479.574 2.028 10 20 JECD CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1779352781 YHYWXYNVDOPULR-NXQMDHLFSA-N 491.585 2.067 10 20 JECD N[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)c1cccnc1 1781121439 WMDHXHMPDXONQG-MFSJNOQSSA-N 488.972 2.364 10 20 JECD Cn1nc2c(c1C(=O)N1CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C1)CCC2 1781123194 ZOMQZCSKRICNON-NTKDMRAZSA-N 488.972 2.415 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4cccnc4)cc3)C2)C1 1781451227 LPCJIJMMTGKUDM-VWLOTQADSA-N 460.490 2.312 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)C1=COCCC1 1782256110 LPKOBQRDEBCZKN-YGBPNOIISA-N 458.511 2.025 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccn3ccnc13)C2 1783222330 MNUIORDOYPKXFU-NLNATVMFSA-N 492.532 2.292 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ncc(Cl)cn1 1785821094 VAGONAGNVDHGEW-NKFCBESUSA-N 467.309 2.102 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COC3CCCCC3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787538812 NWQXYDBDPJLGPD-HARLFGEKSA-N 482.581 2.108 10 20 JECD C[C@H](C(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1)n1cnnn1 1788673755 IPCLCHHLHKLUJF-MRXNPFEDSA-N 472.509 2.161 10 20 JECD CCS(=O)(=O)CC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1 1792299952 QKHIKIDOIYRLHX-VZUCSPMQSA-N 474.535 2.385 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cc(F)ccc3[nH]1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479648 MZEIIPNCDZHPMR-XHNJZIHCSA-N 489.507 2.303 10 20 JECD CC[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)NC(=O)OC(C)(C)C 1804335680 CAXYIRUMOLWMAS-JONQDZQNSA-N 498.671 2.178 10 20 JECD Cc1ccc(OCC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1806675492 RHKAMYIIMXVDRQ-JPYJTQIMSA-N 498.630 2.335 10 20 JECD Cc1cnoc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808469162 IMWPFFLWUGFAHG-XMSQKQJNSA-N 472.505 2.491 10 20 JECD Cc1nscc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814186594 SVZUIOZJSNLBNW-KDOFPFPSSA-N 475.621 2.026 10 20 JECD CN(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1814189943 LJKNDATWOGJRBC-AVRDEDQJSA-N 497.646 2.328 10 20 JECD COC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815305560 MJKAVKIBGOKUNF-HNAYVOBHSA-N 452.515 2.477 10 20 JECD CCOC(=O)C1(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)CC1 1817361915 LDXPJQLVQDZKIG-CQSZACIVSA-N 495.561 2.191 10 20 JECD CC(=O)Nc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)cc1 1818789995 YHZBAYFKJOERCA-INIZCTEOSA-N 481.534 2.376 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c(C3CC3)c2F)[nH]n1 1823497275 UPILDYWCXRCIOO-LBPRGKRZSA-N 491.574 2.316 10 20 JECD CCN(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1824464523 NABSVGBJEKRGQK-JGKZEZGSSA-N 460.556 2.226 10 20 JECD O=C(c1cc(=O)nc2sccn12)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428552 VPVGKBPVJZGHCS-MRXNPFEDSA-N 483.550 2.109 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1cnccn1)CC2 1828200185 LWROQTHZZUTQMU-NOYTZHBZSA-N 481.534 2.308 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1ccc(F)c(F)c1)CC2 1828242685 SCGVSIGEULHHPC-NSHDSACASA-N 496.586 2.436 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832875089 KFKPUPZWCSKEBN-GRWKNNQQSA-N 473.570 2.351 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)[C@@H]1CCc2ccoc2C1 1833363306 NDNYIDMEGBGLQN-QGZVFWFLSA-N 468.554 2.076 10 20 JECD COc1cc(C)c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1OC 1834987616 ZEWVUGKRUUDENH-UHFFFAOYSA-N 498.580 2.317 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cnc(Cl)s3)CC2)CC1)c1cc(O)nc(O)c1 1834988900 QTFTULOKCIEWJB-UHFFFAOYSA-N 465.963 2.102 10 20 JECD Cc1ccccc1NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835865696 FOEHQMBGLHURPR-XMMPIXPASA-N 489.956 2.242 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)C1 1841002416 KFMDFWNLWZLFBE-UHFFFAOYSA-N 462.984 2.499 10 20 JECD CC[C@H](C)[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1841632678 SZAJMHKCTGVUNP-WMQCIHAUSA-N 488.629 2.315 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1ccnnc1)C2 1843330896 RRZZVXZIOWRTTC-HXUWFJFHSA-N 480.569 2.012 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2ccc(CCN3CCCC3)nc2)C1 1843458404 YBYLWSFPTZJUMJ-RMKNXTFCSA-N 492.576 2.367 10 20 JECD O=C(COc1ccccc1)NCC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 8625853 LXBQOKKCEDPJIW-UHFFFAOYSA-N 472.453 2.139 10 20 JECD O=C(CSc1nncs1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 18975432 DPRVDTSNCUMDOZ-AWNIVKPZSA-N 466.591 2.377 10 20 JECD CN(C)c1ccc(CN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C2CC2)cc1 727076359 FIVVWFHPIUWDFB-UHFFFAOYSA-N 459.348 2.150 10 20 JECD O=C(COC(=O)c1ccc2c(c1)C(=O)NC2=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 729294909 UEJSYZXLHZEERZ-UHFFFAOYSA-N 454.394 2.141 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1 744377074 GFDKTZCCCANNSP-GOSISDBHSA-N 453.948 2.220 10 20 JECD Cc1cc(CCNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c(C)n1-c1ccccc1 910429661 MXUZLIODXJSKLM-UHFFFAOYSA-N 480.590 2.187 10 20 JECD Cc1cc(C(=O)O[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccccn1 914905959 IXMAHMLIFDXXAC-KRWDZBQOSA-N 470.551 2.041 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)Cn3c(C(F)(F)F)ccc(C(N)=O)c3=O)cc2F)C[C@@H](C)O1 917205314 ZMYFQOBMKGMWFC-CHWSQXEVSA-N 484.450 2.035 10 20 JECD CN(C)S(=O)(=O)c1ccc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c([N+](=O)[O-])c1 917391511 XILBQMMYBYJRHI-INIZCTEOSA-N 461.544 2.159 10 20 JECD CC[C@H](C)NC(=O)CCNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 918363482 YPUJHZQTDOAQHO-ZDUSSCGKSA-N 464.500 2.136 10 20 JECD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 918456872 WETMGLOGCORTCZ-QGZVFWFLSA-N 488.610 2.196 10 20 JECD O=C(CNC(=O)c1ccc(F)cc1F)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919762182 XZYVRMBEWWKMFG-UHFFFAOYSA-N 484.482 2.267 10 20 JECD Cc1oc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1S(=O)(=O)N1CCCC1 919971552 QDEJGYYONBUFAA-UHFFFAOYSA-N 465.547 2.403 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1ccc(N2CCOCC2)cc1 920924711 DCYKXTRXPAZLBS-ROUUACIJSA-N 491.552 2.130 10 20 JECD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)c1 1317765413 GBOVFBQKAGBOHL-UHFFFAOYSA-N 460.962 2.137 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1780055747 GLNFIGRELUEPLE-HSZRJFAPSA-N 483.912 2.294 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1782005171 XHPQPOKXTOIUSL-HSZRJFAPSA-N 483.912 2.089 10 20 JECD CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1783176954 COPJAPAQGJYAFP-DFBJGRDBSA-N 452.555 2.062 10 20 JECD CCC[C@H]1CC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)CC1 1783369009 GIPLAIAYPKUMGT-DRSNIGMVSA-N 467.657 2.283 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C34CC(C3)C4)C2)C1 1784830921 AOABIMDUTCELKH-UWYUYGNOSA-N 498.624 2.335 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)CCc1ccsc1)CCO2 1785508701 KCYJMUBCXFHKOK-YVRWJWEHSA-N 458.536 2.341 10 20 JECD COC(=O)Nc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785510319 VNUBBCPVTIBSFN-VQEXNLMWSA-N 497.504 2.139 10 20 JECD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)n1cccc1C=O 1786996797 MSCDZLDBLDFMMZ-BAGFXWCHSA-N 475.929 2.220 10 20 JECD COc1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1C 1795364358 MATUOCVLRDGRCA-FNLKRUPLSA-N 461.522 2.443 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)[C@H]1C[C@H]1c1ccc(Cl)cc1 1797190020 LFASGZLNSKXUNQ-DQJZQPOSSA-N 457.914 2.153 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799767210 BDNTZXPXDQIROZ-TWWGPRNNSA-N 485.968 2.011 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3ccccc13)C2 1802079559 KIBQAIWBKOXFHH-MXORCFHQSA-N 475.501 2.268 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ncc(F)cc1F 1803879303 GDNRGAMCVITJRG-RBZFPXEDSA-N 455.421 2.194 10 20 JECD Cc1noc(C)c1CC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804244285 KALXHQAXZHHYNT-KSFYIVLOSA-N 451.483 2.055 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)C(=O)c1ccco1 1804324036 VJJVVMQYUWIITO-FDDCHVKYSA-N 485.500 2.356 10 20 JECD Cc1ccc(CCC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)nc1 1804539838 BBZOVNGIVNKGHT-WZONZLPQSA-N 497.646 2.284 10 20 JECD O=C(Cc1ccc2c(c1)OCO2)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1806677586 NRZLTENZMNMISC-XDHUDOTRSA-N 476.489 2.179 10 20 JECD COc1nccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1F 1807717880 QAYGKBUCLFNAJA-JLTOFOAXSA-N 467.457 2.064 10 20 JECD CCOc1ncccc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807992679 PXDQLEZGCCZHQF-HRAATJIYSA-N 463.494 2.315 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc[nH]c2nccc1-2 1808076283 YSLLPUBYHJNGSQ-BTYIYWSLSA-N 458.478 2.349 10 20 JECD C[C@H](Cc1ccncc1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1812336043 DRARSRUZRRSHLI-HFXUHXBXSA-N 461.522 2.481 10 20 JECD Cc1cnn(CC(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)c1 1814163505 FFEDTKALHWEOHX-JSBPENQTSA-N 477.521 2.123 10 20 JECD Cc1cccc(CCC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)n1 1814184765 FRZWQYVXNAINMR-FDDCHVKYSA-N 497.646 2.284 10 20 JECD CN(C)c1cccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1814190097 QIMXVQBJZPCPMC-PGRDOPGGSA-N 497.646 2.328 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)C(Cl)(Cl)Cl)[C@H]1c1cccnc1 1814190193 SRLHHDNOQWDAMH-RISCZKNCSA-N 495.841 2.318 10 20 JECD Cn1cncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1816520954 WNLUQHXEYHWPTB-VFADXPBXSA-N 452.471 2.279 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)c3nc4ccccn4n3)sc2C1 1816660580 NBCCZHBLKDRVKD-OMDQHUAHSA-N 492.517 2.242 10 20 JECD CN1CCc2cc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)ccc21 1816725005 ILSAYEKHJVAXRG-OAHLLOKOSA-N 465.535 2.481 10 20 JECD Cn1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)c(C(F)F)n1 1817825850 LGAGFAREVTYBMK-SECBINFHSA-N 464.454 2.160 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@@H]1Cc2ccccc2O1 1818906442 HDUWNAANLRGVKK-RDJZCZTQSA-N 485.591 2.266 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cncs2)[nH]n1 1823496645 NTLFIUSQKCCGMR-LLVKDONJSA-N 450.571 2.032 10 20 JECD O=C(c1cnc(O)[nH]1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716755 VMQKCSFJTFCCKL-HXUWFJFHSA-N 464.526 2.142 10 20 JECD CC(=O)Nc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1827721327 KYVYYSPOFPBESW-CYBMUJFWSA-N 467.507 2.447 10 20 JECD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877316 FMYWZWOYBPFYCL-BIENSFFJSA-N 485.497 2.381 10 20 JECD CCN1CCC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)CC1 1832900524 LDTPAPVELWPZBZ-LJQANCHMSA-N 480.700 2.198 10 20 JECD Cc1nn(C)cc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833583485 RCVFHHJIXMOJOV-UHFFFAOYSA-N 475.977 2.292 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1nccs1 1834282835 FLDKWPLCMGKQCN-UHFFFAOYSA-N 480.594 2.121 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)C(F)(F)c3ccco3)CC2)CC1 1838031897 XXOZHBGLFQXVJN-UHFFFAOYSA-N 465.453 2.490 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348415 AEFWVFMDUGVNDK-RPLLCQBOSA-N 496.608 2.079 10 20 JECD Cc1ccc([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1 1840881094 CGSDCNOPEOEUDT-DTDXPTDKSA-N 496.560 2.385 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1 1843442220 FRAHIMNNRMPSHH-UHFFFAOYSA-N 483.532 2.186 10 20 JECD COc1cc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)ccc1F 1846801593 IBLCOTBWXJRHQB-UHFFFAOYSA-N 450.470 2.444 10 20 JECD CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 727139962 OINUKNGEHTWCKN-SFHVURJKSA-N 471.645 2.184 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(NCCO)cc3)cc2F)C[C@@H](C)O1 728325947 HDCIHDASQKRCHZ-IAGOWNOFSA-N 459.518 2.317 10 20 JECD NC(=O)N1CCCN(C(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)CC1 729361953 VOKGWFWRKODLIG-GXDHUFHOSA-N 483.413 2.263 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1CN1CCSCC1 747311194 HLSFJZYBNKFFJN-UHFFFAOYSA-N 454.596 2.327 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1 918303354 FUPXQDVIQJDBCW-KRWDZBQOSA-N 476.599 2.053 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCCN3C(=O)c3ccccc3OCC)nc12 919100076 WSSGVZLGXOEEQB-SFHVURJKSA-N 482.493 2.358 10 20 JECD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 920023114 CXJXBODLDBWXLC-LNLBBOMNSA-N 480.540 2.082 10 20 JECD C[C@@H](NC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 920920265 KVSLRJRCOSAEJV-AUSIDOKSSA-N 451.571 2.138 10 20 JECD CCn1nc(C(C)C)cc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1780404581 RZQUPJHDGWMQRJ-VQEXNLMWSA-N 484.553 2.300 10 20 JECD COc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(F)c1 1782004916 PYQHFMIGBAXJJT-OAQYLSRUSA-N 465.865 2.051 10 20 JECD Cn1cccc1C(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1782611051 XOXZQRANAFYMNL-WZONZLPQSA-N 475.929 2.100 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@]1(F)CCCC=C1F)C2 1783246618 BIMQLNUVLOBRHR-IPHXSNPTSA-N 487.594 2.106 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3OC(F)F)C[C@@H]21)c1cc(O)nc(O)c1 1787294665 ZZQDUHAJUWBGQW-NUTKFTJISA-N 463.437 2.001 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3cc4n(n3)CCCO4)cc2)CCC1 1789297470 FJUOMAGLLRYNKS-UHFFFAOYSA-N 485.591 2.274 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1COc2ccccc2O1)C1=NN(c2ccccc2)C(=O)C1 1794094800 DFKHPKOQRCWZAH-FAODYONGSA-N 474.517 2.258 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Cl)c(F)c1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479362 OCTDXODZPQWGRM-XHNJZIHCSA-N 498.942 2.404 10 20 JECD CCOC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cc1 1799768443 ZSQULXZWHWLMJD-XEMDLRDOSA-N 488.924 2.445 10 20 JECD COc1ccc(F)cc1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799770433 VXQKXWHLWDNYBC-USGNIVHTSA-N 478.904 2.345 10 20 JECD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc(C)c1O 1801703615 AIYJFIGHCPPCRS-NURUXFMTSA-N 468.506 2.042 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1Cl)C2 1802079007 OUYWLFAGIMXLMD-VKJSYOCJSA-N 490.915 2.441 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC2(CCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)CC1 1807416540 PEPKZBBZWIGXJX-UHFFFAOYSA-N 480.500 2.371 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CNC(=O)Cn3cnnn3)[C@H]2c2cccnc2)cc1 1807613186 KEEIJOLBNOIALU-RCZVLFRGSA-N 484.564 2.495 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807994040 MQKZQGGMJZRGDU-LBUQITIBSA-N 462.510 2.103 10 20 JECD O=C(CCN1CCCC1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814270398 WDGGLBCGSNERTR-ANWYUNHFSA-N 480.565 2.404 10 20 JECD COc1ccccc1OCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720331 LYINKZARWBWTNI-ZDUSSCGKSA-N 470.507 2.263 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cncnc2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146648 VTSKDZDZOKOIQI-LJQANCHMSA-N 458.482 2.299 10 20 JECD Cc1nc[nH]c1CSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1819322303 RMKKGLATYGTTSY-INIZCTEOSA-N 471.543 2.487 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccn2nccc2c1 1819382349 YKQCKBRQJNIVDQ-ZDUSSCGKSA-N 450.480 2.137 10 20 JECD CC(=O)N/C(=C\c1ccco1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1821220530 HWJUTDZVKBUGKM-PNDHZVEESA-N 480.481 2.292 10 20 JECD CN1CCC[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)C1 1822549276 VXXUMKWHKNGGAW-JKSUJKDBSA-N 480.594 2.190 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)c2cnsn2)[nH]n1 1823476606 JOLFTJXMUWUBSM-HZRUHFOJSA-N 456.484 2.397 10 20 JECD Cc1ccc(C(=O)NCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)cc1 1827429463 VSSDJZNGEATTTN-OAQYLSRUSA-N 480.565 2.465 10 20 JECD CN1CCCC[C@@H]1C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828194957 FJXOPXAISHYHAC-CAQACHJTSA-N 472.567 2.370 10 20 JECD CCOc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)nn1 1828198354 XKDDAHAZIIAFSZ-FAFAAHBOSA-N 497.533 2.388 10 20 JECD Cc1nn(C)c(C)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896663 MFXGDLJIQSLGFN-QGZVFWFLSA-N 477.656 2.131 10 20 JECD CCN(CC)C[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031668 BOHSIPUBZWFTAW-QGZVFWFLSA-N 462.591 2.083 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)C3(F)CC3)CC2)CC1 1838110440 KFBPWYWZIHRMMT-UHFFFAOYSA-N 456.518 2.280 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)cc1 1839349451 VEYHZCNLXBNFTJ-NVQXNPDNSA-N 467.566 2.201 10 20 JECD CCC[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)CC1 1839972096 JBQNJPYVQQZCAW-QZTZHPFYSA-N 461.559 2.169 10 20 JECD O=C(CCc1ccc(C(F)(F)F)cn1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056800 PFDRCPOPKBJMOO-UHFFFAOYSA-N 486.541 2.097 10 20 JECD COc1cccc(-c2ncccc2C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)c1 1847056883 RVUCBTILCVHRSC-UHFFFAOYSA-N 496.614 2.435 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(NC(=O)NC4CC4)cc3)nnc2n1 108221590 ADMUDLMMCMCNBI-UHFFFAOYSA-N 470.563 2.398 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCN(C(=O)Cc4ccc(C)cc4)CC3)CC2)cc1 110303984 WWGGCDMLIHIALV-UHFFFAOYSA-N 450.583 2.039 10 20 JECD COc1cccc(N2CC[C@H](NC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)C2)c1 728220300 KLYJPDBXSWZTMH-PMACEKPBSA-N 451.571 2.475 10 20 JECD CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C1 747886393 GNLVRLGJPCLPPC-OAHLLOKOSA-N 490.538 2.480 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(CN4CCOCC4)CC3)cc2F)C[C@H](C)O1 917061249 ZMWNDHFBWFKFLG-PMACEKPBSA-N 462.610 2.100 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N[C@@H](C)C(=O)NCc3ccccc3)CC2)cc1 919912021 ZQGJOXYOGMKYFA-FQEVSTJZSA-N 453.587 2.211 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 919970399 ZTRPHZVPGIRLIZ-UHFFFAOYSA-N 496.633 2.373 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)Nc2ccnn2Cc2ccccc2Cl)c1 920638017 QGMPYHXAHAWMCF-UHFFFAOYSA-N 478.914 2.457 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1OCCc3ccccc31)C2)c1cc(O)nc(O)c1 1777849310 SFROFGYTQUETRM-LZCXECNNSA-N 481.549 2.324 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1778493640 OLIDJWCRLHITKX-JOCHJYFZSA-N 456.886 2.385 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1778493642 OLIDJWCRLHITKX-QFIPXVFZSA-N 456.886 2.385 10 20 JECD CC[C@@H](C)[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781119182 CDOFSCKJNUZALM-JKWAKEATSA-N 454.951 2.286 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc2ncncc2c1 1788379599 ZLQJMCJSDPUTHI-WWLRIXDCSA-N 490.516 2.053 10 20 JECD COc1ccsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1789074452 RDUVAMDSPCXPJO-KNBMTAEXSA-N 482.562 2.143 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)F)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242957 HFALXGNOHVUDDC-FWDPORAESA-N 454.804 2.245 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)ccc1O 1792218318 XKWZAWYOWNYNRT-QPWMFYLTSA-N 468.506 2.124 10 20 JECD CCOc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1792382603 OETURFUFEQFJIX-ZSBFGKGUSA-N 461.902 2.062 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)F)C2 1796307590 MHXMSXZREJSMES-PIKOESSRSA-N 492.592 2.042 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc[n+]([O-])cc2)cc1 1798361509 ZEYQWEFZMDVFMN-ACHVPNTGSA-N 460.534 2.245 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c2nncn2c1)C1=NN(c2ccccc2)C(=O)C1 1798378738 WTODENOQONEWKM-VBUUOAMHSA-N 491.939 2.427 10 20 JECD CO[C@@](C)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cccc2ccccc12 1799086446 GTXBTGJNLAXKGV-IACMHESWSA-N 491.544 2.411 10 20 JECD CO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1802386707 JPSSDQFRPWNKNM-UJCHZGTJSA-N 491.585 2.207 10 20 JECD Cc1nn(C)c(C)c1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1803001404 SHUXQTRVLLKONV-FNLKRUPLSA-N 462.554 2.011 10 20 JECD CC[C@H](C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1803611568 DIXYUNXVCQCSKO-GOMRNUEMSA-N 477.565 2.287 10 20 JECD COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1Cl 1803737022 BUVVHCJHFGGAKA-BTTYYORXSA-N 468.000 2.461 10 20 JECD CN1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1803943257 GEEKCGPNOKCTKO-UVJKBGPYSA-N 466.538 2.012 10 20 JECD Cc1nc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)co1 1805690461 GWRMUAYEMXWZOP-MBSDFSHPSA-N 472.505 2.491 10 20 JECD COCCCC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808463577 DBUOAWLPFDPPDO-NTKDMRAZSA-N 463.538 2.307 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811805564 AYJPTSOQEXEKJC-AFBRZQFHSA-N 472.929 2.157 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)[C@@H]1CCCO1 1812847885 LTYOJLUZFBZYAQ-GRRCIFBWSA-N 453.495 2.097 10 20 JECD CN(C)c1ncc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)o1 1814163015 VDCWKLXWAKBRQN-QXMHPGBQSA-N 493.520 2.285 10 20 JECD CC(C)(C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccn1 1814192174 SHIPEVPWKBOBFL-UWJYYQICSA-N 497.646 2.321 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1cncnc1 1816508158 HZMGJKMVGPOYPE-LJQANCHMSA-N 458.482 2.299 10 20 JECD N=C(N)SCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1817302009 IIHFHEVSYWQITG-KRWDZBQOSA-N 482.570 2.211 10 20 JECD CN(C)c1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)o1 1817362952 CRWHSOSENPSWAB-ZDUSSCGKSA-N 493.549 2.216 10 20 JECD Cc1nc[nH]c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1817639256 HHKSVEGSWTWRPK-CYBMUJFWSA-N 463.523 2.193 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3c[nH]c4ncccc34)sc2C1)c1cc(O)nc(O)c1 1818159853 MSPUWXDLPZQHSD-LLVKDONJSA-N 450.480 2.365 10 20 JECD CC(C)n1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)n1 1820340319 OWVFOLVUELUIIJ-OAHLLOKOSA-N 475.600 2.353 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823616076 OIUQLHZWKJRNDF-AWEZNQCLSA-N 480.568 2.281 10 20 JECD CCS(=O)(=O)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1824467654 BBIJIAGKYJBKAF-KRWDZBQOSA-N 472.991 2.419 10 20 JECD Cc1noc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)n1 1827715920 VQBVLBYWIPKILL-OAQYLSRUSA-N 478.553 2.333 10 20 JECD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)n(C)n1 1828195892 ZGZXELKVGXYLTP-FLUIGGAXSA-N 469.523 2.241 10 20 JECD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1831814698 FWYIVORVSKAVDD-XUVXKRRUSA-N 471.554 2.482 10 20 JECD O=C([C@H](O)Cc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899919 NXWQPRVIDLETFO-WOJBJXKFSA-N 489.663 2.070 10 20 JECD Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)n1 1833092633 WDXWAVAHTMKXEN-HHHXNRCGSA-N 491.592 2.369 10 20 JECD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)ccc1F 1834987382 NIVMCPMUHYJKTJ-UHFFFAOYSA-N 456.518 2.439 10 20 JECD Cc1ccc(O)c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834988713 HXULQPMTSCJDRV-UHFFFAOYSA-N 454.527 2.006 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@]4(C)CCCN4)C3)C2)cc1 1839348295 LSDDGMPGVAPSLN-KAYWLYCHSA-N 480.609 2.306 10 20 JECD O=C(COC(=O)c1cc(F)ccc1N1CCOCC1)NCc1ccc(N2CCOCC2)c(F)c1 730862608 HEFCCLJGYGOKBT-UHFFFAOYSA-N 475.492 2.111 10 20 JECD COc1ccc(N2CCN(CCNCc3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3Cl)CC2)cc1 742700499 PWVINEAPBIEQQE-LJQANCHMSA-N 482.050 2.125 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 750321687 CCHKWLQTWWDYBU-UHFFFAOYSA-N 464.570 2.299 10 20 JECD O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCN(Cc2ccncc2)CC1 913660840 KTVGHCQWFFEVDQ-UHFFFAOYSA-N 497.533 2.454 10 20 JECD Cc1cc(NC(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)n([C@@H]2CCS(=O)(=O)C2)n1 914903359 LGBTWIQYTGKPNF-QGZVFWFLSA-N 471.539 2.149 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(CC(=O)N2CCOCC2)cc1 916680855 BXGWZTJMOGOTTI-UHFFFAOYSA-N 456.518 2.385 10 20 JECD CN(C)CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 918442813 PIMQKFZKQHCPHM-UHFFFAOYSA-N 454.571 2.091 10 20 JECD COc1ccc(CCN2C[C@H](C(=O)NCc3ccc(N4CCOCC4)cc3)CC2=O)cc1OC 919766840 ZUSUUNQHDGEPEU-OAQYLSRUSA-N 467.566 2.248 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccc(CN2CCCC2=O)cc1)c1ccc(N2CCOCC2)cc1 920923404 PYVKOWXJBSSHKE-GOSISDBHSA-N 450.539 2.462 10 20 JECD CCN1C(=O)C(=CNc2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)N(CC)C1=S 920974399 KIVPMQZQSODPEE-UHFFFAOYSA-N 450.586 2.153 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4nonc4c3)C2)C1 1777721999 COIAFNUBGHXIBX-NRFANRHFSA-N 458.858 2.045 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1OCC1CC1)C2)c1cc(O)nc(O)c1 1777847862 SWFLJINLCKEKMM-KBMIEXCESA-N 482.537 2.118 10 20 JECD COc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1 1777849731 ZZAMARRGTIYJDJ-GQNXPXPTSA-N 481.549 2.433 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@@H]1C1CC1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126528 AZBGWSNBLKRAOR-RVNGOIKDSA-N 464.566 2.339 10 20 JECD C[C@H](Oc1ccccc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1781884153 VGHGAPUDLPBAQJ-LSRZYVKLSA-N 455.511 2.088 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc3cccn3cn1)CCO2 1782005644 SITRJPGJOJZOFH-JOCHJYFZSA-N 456.886 2.156 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 1783407548 MMGPVAXDBYWDQD-RBISFHTESA-N 486.572 2.414 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3cccn4c(O)nnc34)cc2)CCC1 1788525023 RWPXCYBMYIUYJB-UHFFFAOYSA-N 496.574 2.043 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn4cncc4c3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245022 MUNMPHPZMXNWPQ-VHFSOBRXSA-N 470.913 2.306 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc2c(Cl)cncc2s1 1795923392 IZSOPKBBUMBYEN-SLAYPKMVSA-N 474.926 2.273 10 20 JECD CC(C)c1csc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)n1 1796480419 GXWNZFVMXDPMCJ-VPTLXERWSA-N 481.578 2.263 10 20 JECD COc1ccc(Cl)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1799020575 RMNLQJBKYIXKMW-RSQQPWMTSA-N 496.951 2.345 10 20 JECD Cc1ccc2oc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2n1 1802079992 CSOBRQIUSJDRSS-QEVMATIMSA-N 479.489 2.170 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)COCc2ccccc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992523 BYFGHEACEJTLKP-YADARESESA-N 462.506 2.424 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(OCCCO)cc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996106 XXRDGJSLRCSDGV-DVECYGJZSA-N 492.532 2.282 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810547404 NMDWBXXBUKLEGQ-OAQYLSRUSA-N 464.566 2.394 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n[nH]1 1814164285 XRNUXNAOBAAYNE-VJZFYYHCSA-N 463.494 2.263 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c(C)o1 1814185711 FBNZPAYEFOSGOL-OXQOHEQNSA-N 472.592 2.471 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)C1Cc2ccccc2C1 1814280476 YVVTVKDZQLDLGV-XXBNENTESA-N 494.642 2.363 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)sc2C1)c1cc(O)nc(O)c1 1825651802 DIHKSXOOICRRKV-RLVYNTFLSA-N 491.529 2.085 10 20 JECD O=C(Cc1cnc[nH]1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716210 FXVONDYQHJMZGO-QFIPXVFZSA-N 462.554 2.365 10 20 JECD Cc1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)sc1C 1828247206 OXJLWTVUBMYLDG-SNVBAGLBSA-N 481.650 2.303 10 20 JECD Cc1ocnc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1829438163 WTAFKQPUECYXLJ-OAHLLOKOSA-N 450.586 2.077 10 20 JECD Cc1nccn1[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832315101 AYDLTBNZUPHAEN-YJBOKZPZSA-N 477.656 2.233 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CCc3cccs3)CC2)CC1)c1cc(O)nc(O)c1 1834985353 AQSYGXOKPXRQRR-UHFFFAOYSA-N 458.584 2.372 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1835723344 JDIFKJPIUPKSAU-BXKMTCNYSA-N 487.940 2.031 10 20 JECD O=C(COc1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431615 CKWSYTOGMSXNAB-HSZRJFAPSA-N 494.903 2.039 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C1CC1)CCO2 1840658911 LMZWRCXHVWBXQG-LNYWEAQCSA-N 494.544 2.464 10 20 JECD CC(=O)Nc1ccc(CC(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1843912492 XSLBDSGUZQRDGU-UHFFFAOYSA-N 473.533 2.184 10 20 JECD CN(C)c1ccc(CNC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)cc1F 746797802 CWXJJNAPNQWCME-UHFFFAOYSA-N 488.541 2.096 10 20 JECD CN(C)c1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1F 746864755 XCPFQQKMMJNQDS-UHFFFAOYSA-N 465.547 2.428 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@@H]1CCN(CC(F)(F)F)C1 747104721 ZAFHDVDGPREJSO-QGZVFWFLSA-N 481.498 2.378 10 20 JECD CN(C)c1ccc(CNC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1F 747306681 LOBDUUMDTLVZNJ-QGZVFWFLSA-N 465.570 2.454 10 20 JECD Cc1cc(C(=O)Cn2c(-c3ccccc3)noc2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 747364442 QZUYEJFQEVHPTP-UHFFFAOYSA-N 452.492 2.441 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 785931612 PWARLWALBNFGNP-UHFFFAOYSA-N 497.573 2.019 10 20 JECD O=C(NCCCOC[C@H]1CCCO1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 914431933 LPINCXUXJSYKCJ-QGZVFWFLSA-N 479.511 2.417 10 20 JECD Cc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)c1NS(C)(=O)=O 917918074 KOKXFWCLBKIUTJ-UHFFFAOYSA-N 485.603 2.438 10 20 JECD CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 918277055 KHCGVVNWTVBBSG-UHFFFAOYSA-N 492.498 2.428 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 918336144 WFBYELZILSUGFD-IBGZPJMESA-N 475.998 2.240 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1nc(NCc2ccco2)ncc1Cl 918337029 BQRDWNPNOZZOMY-UHFFFAOYSA-N 475.958 2.500 10 20 JECD CC(=O)N1C[C@H](C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)Oc2ccccc21 918895803 FSTGIILULNICNT-HOZJOUCCSA-N 499.539 2.413 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CN3C(=O)CCOc4ccccc43)cc2F)C[C@@H](C)O1 919012084 VAKOIJQZXMAVDX-QZTJIDSGSA-N 499.539 2.414 10 20 JECD O=C(CCn1ccnc1)Nc1cccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 920097293 OWJZAGJWCNGDMG-UHFFFAOYSA-N 481.578 2.077 10 20 JECD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 920872897 XMSBXDHJIQOWJU-IBGZPJMESA-N 489.617 2.401 10 20 JECD C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1ccc(N2CCOCC2)cc1 920880677 MDUHQVHTHRSHCE-INIZCTEOSA-N 465.597 2.097 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3ccoc3Cl)C2)C1 1780453662 GQFLAJFJOSYNNS-JOCHJYFZSA-N 456.886 2.169 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3ccc(F)cc3)C2)C1 1780705341 SPXFUDGJNKKDES-DEOSSOPVSA-N 450.470 2.062 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)cc1 1781751408 SNKNSQIZXILMFF-AREMUKBSSA-N 489.532 2.340 10 20 JECD O=C(CC[C@@H]1CCOC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1782773914 MHGMXFJGRXPAJZ-VJNINCSRSA-N 474.554 2.147 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)cc1 1783927498 AGECRZZTBVTAGR-IZZNHLLZSA-N 483.565 2.153 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC1(c2ccc(NC(=O)CCN3C(=O)C=CC3=O)cc2)CCC1 1786554437 VMORJCPXOGEEMJ-YCRREMRBSA-N 491.500 2.266 10 20 JECD Cc1nc(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)s1 1787537400 RRSQHNGQPHMJAG-QRFRQXIXSA-N 481.578 2.146 10 20 JECD CC1(C)CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)C1 1787541296 BXOFZTLAFPYQGB-LRQRDZAKSA-N 452.555 2.195 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243352 LHKVDNSALCRHSR-HTZUNMPGSA-N 488.924 2.430 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)(Cl)Cl)[C@H]2C1 1790913159 NFTULXXHSVEBQD-NOLJZWGESA-N 487.771 2.129 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1800193667 WEHOXCUTJPDYOQ-PJKMLTEKSA-N 459.930 2.228 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccnc1S 1802507180 SCYJEQVIRLBGSS-LIRRHRJNSA-N 451.508 2.205 10 20 JECD CCCNC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1803449334 RJXPSXDZGMLRJH-FJFIXWKNSA-N 496.564 2.224 10 20 JECD CCn1nc(C)cc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807983486 KXEOBLCEFTZGMJ-HRAATJIYSA-N 450.499 2.046 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)CC1 1808002641 XDCSNQJBZRGNBQ-OXJNMPFZSA-N 497.552 2.265 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2[nH]ccc2n1 1809796622 GOQKCRZODNRQPB-NYHFZMIOSA-N 458.478 2.398 10 20 JECD Cc1nccnc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1811085726 KMVQGSDXHMKCOF-CYFREDJKSA-N 483.532 2.293 10 20 JECD CCc1ncsc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814190291 WDCSHUWOGASHJC-KBXCAEBGSA-N 489.648 2.280 10 20 JECD Cn1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)cccc1=O 1816314827 CLEVOXTWLIPAMO-LJQANCHMSA-N 487.520 2.207 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cc4cnccc4[nH]3)sc2C1 1819306493 NUQMZNFURUQXTF-LLVKDONJSA-N 486.604 2.106 10 20 JECD O=C(COc1cccnn1)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1822756650 ZPXUCNXMHPHQQI-IBGZPJMESA-N 488.508 2.064 10 20 JECD CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1830397931 RFAUROKVNHCQRA-YADHBBJMSA-N 479.581 2.020 10 20 JECD O=C(c1cncs1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898749 XVLKLYLHPJPRSA-CQSZACIVSA-N 452.627 2.237 10 20 JECD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)C1(O)CCC1 1832899683 KPTPGHHVTNUZDK-NVXWUHKLSA-N 467.657 2.018 10 20 JECD O=C(Cc1cccc2ncccc12)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833456208 YEAGFTPVUOYVPU-UHFFFAOYSA-N 489.576 2.469 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CCc3cccc(O)c3)CC2)CC1)c1cc(O)nc(O)c1 1834988434 SBRZDPOROXTDNW-UHFFFAOYSA-N 468.554 2.016 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3ccsc3)CC2)CC1 1837410599 FLORPPRLXYDOAC-UHFFFAOYSA-N 467.638 2.221 10 20 JECD CC[C@@H](C)[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837847747 CHZPTCDSJPLOAF-KOSHJBKYSA-N 483.613 2.151 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc(C(F)F)no3)CC2)CC1 1837989794 SPXXPQDEWBXUFY-UHFFFAOYSA-N 466.441 2.344 10 20 JECD O=C(c1ccc2c(c1)COC2)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434189 TWCPQDLXVVHLAI-XMMPIXPASA-N 488.924 2.165 10 20 JECD Cc1ccc(F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880174 ZZZQWWNJIKGKQB-CIFMFNLYSA-N 486.496 2.034 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)C(F)F)C2 1843331437 XTVVZJYQZGKFBK-MRXNPFEDSA-N 452.502 2.173 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2nnsc2C2CC2)C1 1843541771 UUNJZMIXHZBUEX-UHFFFAOYSA-N 450.524 2.025 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cn3cc(F)ccc3n2)C1 1844066178 LEUQOFFTRHWNDC-UHFFFAOYSA-N 460.469 2.083 10 20 JECD COC(=O)c1ccoc1COc1cccc2c1N(C(=O)C1=CC=CN3CCS(=O)(=O)N=C13)CCC2 727316744 DLRZZJDONYZEDY-UHFFFAOYSA-N 497.529 2.422 10 20 JECD Cc1cc(C(=O)COC(=O)c2cc(N)nc(Cl)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 728627127 RCJUVQYPILIYCP-UHFFFAOYSA-N 462.915 2.412 10 20 JECD CC(C)N[C@H]1CCCN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)C1 731033176 WMNHMUAOQPVFRY-BCUAHEQISA-N 490.651 2.195 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccccc3N3C[C@H](C)O[C@H](C)C3)CC2)cc1 743432433 MFQGBMJJZQBZPL-OYRHEFFESA-N 495.624 2.186 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)cc2)C1 749499042 OZCBWDQDNOGGMX-FPOVZHCZSA-N 478.549 2.038 10 20 JECD COc1ccc(Cl)c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1N 750238737 OSUHYGXOPSIJOC-UHFFFAOYSA-N 451.882 2.380 10 20 JECD C[C@@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 756824091 FQVDPMZCBJXRIP-KGLIPLIRSA-N 453.472 2.281 10 20 JECD CCN(CC)c1ccc(CN(C)CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 759643671 OLGMJJKGSIGXLV-YADHBBJMSA-N 451.633 2.159 10 20 JECD CC(=O)c1cccc(S(=O)(=O)NCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 916566385 WPHLNSPIHRDRBV-QFIPXVFZSA-N 473.595 2.441 10 20 JECD COc1ccc(CCN2C[C@@H](C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2=O)cc1OC 917707577 OLPPVRJWGDCQDE-FQEVSTJZSA-N 485.556 2.387 10 20 JECD COc1ccc(C(=O)NCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1[N+](=O)[O-] 918140727 OQHXXKPXCNHSGA-HUUCEWRRSA-N 474.489 2.402 10 20 JECD CN(C)C(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 918276201 AQBRCRSKCSKGOO-UHFFFAOYSA-N 478.471 2.499 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 918443112 UBPANGWQWFJKBS-UHFFFAOYSA-N 478.549 2.194 10 20 JECD CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1OC 918463655 MSTGVDWBGNTKAO-QGZVFWFLSA-N 454.527 2.051 10 20 JECD Cc1nc2ncnn2c(C)c1CCC(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918896544 OPWPAQAFDKVPAP-IYBDPMFKSA-N 498.559 2.286 10 20 JECD O=C(O)c1cccc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919730064 MCFCARVXFRAINP-UHFFFAOYSA-N 471.514 2.119 10 20 JECD COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 920195867 DWUYGFJRLJZMEQ-UHFFFAOYSA-N 466.538 2.165 10 20 JECD Cc1cc(C(=O)COC(=O)COC(C)C)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 920718778 ZBBNZBXFZSMJDP-UHFFFAOYSA-N 478.567 2.266 10 20 JECD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)n1cccc1C=O 1782002796 WNVVBPFASWRFQV-JLCFBVMHSA-N 461.902 2.070 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008261 XQONVMGGIXTGGT-IZHWHUGBSA-N 487.940 2.013 10 20 JECD CCc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)cc1 1783246023 OEOFXOKBUJCDOL-WZONZLPQSA-N 475.636 2.237 10 20 JECD COc1ccccc1CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1783330328 YOFCZMMAMNXSEH-HSZRJFAPSA-N 460.914 2.446 10 20 JECD CC(F)(F)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1784636978 DDYCKQAPEIOSQF-IEZWGBDMSA-N 476.524 2.440 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccc3ncoc3c1)CCO2 1785506009 XMGVGKZJLPNCRI-FBUBFAHDSA-N 465.462 2.102 10 20 JECD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796603492 PVDLPZUEQGCNOV-ADHGMGHFSA-N 474.558 2.438 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1OCC1CC1)C2)c1cc(O)c(O)c(Cl)c1 1799767418 PCCZBBWCEUTNJX-CWPLJXCYSA-N 487.940 2.452 10 20 JECD O=C(CCc1cccc(O)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1801127555 XNIOCMBTWRUUQH-VPTLXERWSA-N 460.914 2.293 10 20 JECD COC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1802601142 IZDQVSHUMCSYDM-HOUBKHITSA-N 455.511 2.343 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1803150715 JMHBHKBJDUFRQA-KUDFPVQQSA-N 499.568 2.368 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1n[nH]c2c1CCCC2 1804286632 XLROSSCCBCVWHJ-XFLCEESOSA-N 452.511 2.371 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1cc[n+]([O-])cc1 1811197453 HRQKONZIXAVZST-OXJNMPFZSA-N 468.897 2.413 10 20 JECD COc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(O)c1OC 1811452464 QVEQRVWYUMRHAW-YCRPNKLZSA-N 494.504 2.244 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cc[nH]c3nccc2-3)[C@H]1c1cccnc1 1814189264 NXVYOEULKQROQG-QRWLVFNGSA-N 494.602 2.089 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cncc3cnccc13)CC2)c1cc(O)nc(O)c1 1816727297 MKZCOSGJIZMTIP-CYBMUJFWSA-N 462.491 2.432 10 20 JECD Cc1n[nH]cc1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361870 JZVVCWPLXZKFRA-CYBMUJFWSA-N 463.523 2.193 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2ccccc2=O)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146614 SVLJZCSYNLFZIA-HXUWFJFHSA-N 487.520 2.057 10 20 JECD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1)n1cnnn1 1821295211 IHVGIFVBHRFCJY-YGRLFVJLSA-N 460.882 2.028 10 20 JECD O=C(CC1(O)CCC1)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1823037531 SNAQZDXUWNMJHK-IBGZPJMESA-N 464.526 2.500 10 20 JECD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1)n1ccnn1 1823475918 JZZCOFUURFEMJI-KQOCBEFLSA-N 467.486 2.085 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCOC1)CC2 1828199737 FQUHYKOPSCRPQA-CSNMRHKHSA-N 459.524 2.312 10 20 JECD O=C(c1ccc(F)nc1F)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899139 GQVPAMTZDZWFGU-OAHLLOKOSA-N 482.578 2.453 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)CC1)c1cc(O)nc(O)c1 1834988196 JCKLAAYOEFXZNI-UHFFFAOYSA-N 470.545 2.450 10 20 JECD COC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1836918441 YCOUMCYKIQOXDS-MQDFFIGUSA-N 462.543 2.098 10 20 JECD CC(C)(C)OC(=O)NCC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1847302538 UOVLYCTXKIVZLU-DGDBIBOCSA-N 487.553 2.323 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Cn3cnc4sc(C)c(C)c4c3=O)CC2)cc1 9919403 CLKIDWLYMAUIBB-UHFFFAOYSA-N 469.611 2.412 10 20 JECD O=C1N=C(N2CCOCC2)S/C1=C\c1cccc(/C=C2\SC(N3CCOCC3)=NC2=O)c1 26763502 MOVSWAPILGVPNF-JTFWXBGUSA-N 470.576 2.292 10 20 JECD O=C(CN1CCC(c2cn[nH]c2)CC1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 750478373 GRNSLOPCNAUIDP-KEBDBYFISA-N 499.618 2.335 10 20 JECD COc1ccc(N2CCCN(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 918025233 JOKJDFLVFWQFKE-UHFFFAOYSA-N 474.583 2.460 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(N4CCCS4(=O)=O)c3)cc2)C1 918035315 QHNNLEFCIPIXHD-SFHVURJKSA-N 471.583 2.250 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H](C)NC(=O)C2CCCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 919353009 GCFPURFHKOGLID-OAHLLOKOSA-N 475.567 2.162 10 20 JECD O=C(NCCS(=O)(=O)c1ccccc1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919782624 BJCXYGSRDVRZFM-UHFFFAOYSA-N 498.584 2.215 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@H](c3cccs3)N3CCOCC3)CC2)cc1 920251492 AQFWIIUAGVIYNX-HYGBKTPJSA-N 484.622 2.151 10 20 JECD CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2)CC1 920924816 GEKRXPOIPRVAAN-FQEVSTJZSA-N 465.598 2.481 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)N2CCN(C)CC2)CCO3)cc1 1781754457 UTVJJSVBXUIOSM-LXFBAYGMSA-N 493.652 2.174 10 20 JECD COc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)ccc1F 1782917362 JXJXRCJURDDSGH-WZONZLPQSA-N 459.474 2.082 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1784549023 XPPPYXVKVDRISX-PEBXRYMYSA-N 461.902 2.057 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)C[C@@H]21)c1cc(O)nc(O)c1 1787295161 PXVFRPNFQVKKJE-GTTLUYMLSA-N 477.439 2.217 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc2[nH]ccc2s1 1797109146 AKCLILPUOMQKRI-YEZVWNJWSA-N 477.546 2.226 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc(-c2ccccc2)no1 1798139357 XNRCUIWLIFIERA-RZMQENIISA-N 491.500 2.375 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799770383 TUEGNSZSHBJSNB-BCEDRHLLSA-N 459.930 2.228 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)s1)C2 1802080956 CODCJIQRFIMMSL-WFRBFAAJSA-N 464.927 2.435 10 20 JECD COCC1(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)CC1 1803537236 GZSLMVGXMAOKMR-AUSIDOKSSA-N 475.549 2.307 10 20 JECD NC(=O)c1ncccc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1804811935 GHURBGPKNBFWAT-VBKZILBWSA-N 495.923 2.274 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnnc3ccccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995139 CLTXSVIXZVRGFN-MWTRTKDXSA-N 470.489 2.464 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc3c2OCC3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995274 FWRUSZAXJUXVGX-VGSWGCGISA-N 460.490 2.456 10 20 JECD CCc1[nH]nc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1Cl 1807995464 YZTPFJHBUWJZJK-RNODOKPDSA-N 470.917 2.460 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CCN2CCCC2)[C@@H]1c1cccnc1 1814165287 DQHKIPACTSOHEV-MMXNXPDASA-N 480.565 2.404 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(-n3cccn3)nc1)CC2)c1cc(O)nc(O)c1 1816726446 WELRAUGTPUPIBQ-AWEZNQCLSA-N 477.506 2.070 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccc4cccnc4n3)sc2C1 1818978594 MMLTYDAQWYRQLF-LBPRGKRZSA-N 498.615 2.172 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)C1 1825978820 UIERLXFTOHUGBY-OUCADQQQSA-N 474.539 2.155 10 20 JECD O=C([C@@H]1CC[C@@H]2CCC(=O)N2C1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427904 LLCJNARKZWIFSR-MISYRCLQSA-N 470.570 2.127 10 20 JECD O=C(c1cc(O)n[nH]1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714909 BXLVIDLGHBVQSQ-FQEVSTJZSA-N 464.526 2.142 10 20 JECD COc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)ccc1F 1828248807 ACIJAWPSBCVTTL-LLVKDONJSA-N 494.595 2.377 10 20 JECD O=C(CCN1C(=O)C=CC1=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830734729 CSUDXLOJLNKPHT-GOSISDBHSA-N 489.956 2.300 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)COc2cccnn2)CC1 1832193174 QZBHZJIVJGQBGL-JOCHJYFZSA-N 490.564 2.268 10 20 JECD COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)n(C)n1 1832876073 AEBUCXIOACHHOJ-PDFOZTTASA-N 484.553 2.492 10 20 JECD Cc1nccn1CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899942 PDUQKAIAAGGDBS-IBGZPJMESA-N 491.683 2.452 10 20 JECD O=C(Cc1ccccn1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902118 KXVYFTCBWOHQJE-SFHVURJKSA-N 460.625 2.104 10 20 JECD Cc1noc(C)c1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1833068928 RBYHJFWWTBQPHL-HSZRJFAPSA-N 493.944 2.059 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)C1=CCCC1 1834372493 XVPQMWBVMHNLGS-UHFFFAOYSA-N 463.582 2.461 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncncc3c1)CCO2 1837027801 SRIYCIDOMTVVRN-XMMPIXPASA-N 498.923 2.078 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)Cc2cccc(OC(F)(F)F)c2)C1 1845935643 SIKJLOWEBKRIRE-UHFFFAOYSA-N 451.401 2.451 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CCCc3ccc4c(c3)CC(=O)N4)CC2)cc1 729763212 VTIONAHINUDCCE-UHFFFAOYSA-N 451.523 2.405 10 20 JECD C[C@@H](OC(=O)CCCN1C(=O)CN(C)C1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 742289370 WIWBSLYZURODLC-CQSZACIVSA-N 477.473 2.006 10 20 JECD CC(C)NS(=O)(=O)c1cc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1F 914938451 BWNUBVMTPODMPB-UHFFFAOYSA-N 465.547 2.394 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCC3(NS(C)(=O)=O)CCCCC3)cc2F)C[C@@H](C)O1 918201879 PNTIGBPRWFRNHU-CALCHBBNSA-N 470.611 2.491 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cc(S(=O)(=O)N(C)C(C)C)ccc3F)nc12 919076058 DOQMYQQNASXHSI-UHFFFAOYSA-N 494.501 2.137 10 20 JECD Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1[N+](=O)[O-] 919879673 SZUUENDTBWFQEG-UHFFFAOYSA-N 488.551 2.362 10 20 JECD COc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)c(OC)c1 920637817 KLEINRSOJZIAJE-SFHVURJKSA-N 478.523 2.301 10 20 JECD CC[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1)N(CC)CC 1778126843 LNPBSUKGLYDVJL-AZSVPQILSA-N 497.640 2.414 10 20 JECD CCOC(=O)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1 1782041227 HKAQXLIOFOHVNV-QQOLHMHLSA-N 496.516 2.137 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccc2ccnn2c1 1790443968 VZHFXUQLBHFWHI-VHFSOBRXSA-N 470.913 2.306 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)F 1795484275 ACDSOONRNLGIGY-PIKOESSRSA-N 492.592 2.042 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1798423159 FJJBOPDZNFHHDD-NUZGMZIFSA-N 487.560 2.447 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(F)c1F)C2)c1cc(O)c(O)c(Cl)c1 1799767928 BLHNJLZPHXLLEJ-VTEUUUEMSA-N 466.868 2.475 10 20 JECD O=C(c1cc(O)nc(O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccc(Cl)cc2)CCC1 1800420009 NZNMBVHZIMKSBV-VPTLXERWSA-N 471.941 2.471 10 20 JECD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1802240029 DJZMIFNULGUROD-DARKYYSBSA-N 478.549 2.173 10 20 JECD Cc1oncc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1805800658 NXMAVYOSGKCWEU-FDDCHVKYSA-N 472.505 2.491 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1808000628 KFWUJZDJRUYNJP-XKDCRVNJSA-N 489.532 2.026 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccnc3ncccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001723 WKHDOPDVKIFZDS-KSFYIVLOSA-N 470.489 2.464 10 20 JECD CC[S@](=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1819267835 PYKLAHORGSCUJO-IHJYLNOKSA-N 476.555 2.391 10 20 JECD O=C(Cc1ccncc1)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1822532780 CJIIEFIRUPJYPQ-MRXNPFEDSA-N 474.546 2.486 10 20 JECD COC(=O)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1822627077 VQZSARRKNJLEOB-ZDUSSCGKSA-N 451.867 2.136 10 20 JECD CCc1oncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823495887 DYBICTDAIVXXKZ-CYBMUJFWSA-N 462.557 2.126 10 20 JECD Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)no1 1826643419 DKAHUHBERBYNGR-MXPWBENCSA-N 470.507 2.424 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc(Cl)s1)CC2 1828244552 JZUQYLVCJCVCBB-ZETCQYMHSA-N 488.041 2.339 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)CC1 1829514700 HTAWUKMGQIYZMV-HSZRJFAPSA-N 475.549 2.346 10 20 JECD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)n1ccnn1 1831173215 IQRUREBVMDLPLT-AVRDEDQJSA-N 477.569 2.252 10 20 JECD CCc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)no1 1832900339 HQDTXVWIMRILLW-QGZVFWFLSA-N 464.613 2.331 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnn4)C3)C2)cc1 1839348093 AUGPEHXQTUSYIX-AREMUKBSSA-N 475.549 2.268 10 20 JECD Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)CCO3)o1 1839348151 DUEHYDUCMMDQRC-AREMUKBSSA-N 493.564 2.098 10 20 JECD Cc1c(Cl)ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)c1Cl 1840662348 SVHRDCGRFBRANY-QFIPXVFZSA-N 496.347 2.492 10 20 JECD COc1ccc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1F 1841159218 BWXXKDUPUFRBKT-UHFFFAOYSA-N 450.470 2.444 10 20 JECD O=C1CC(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)=Cc2ccccc2N1 1844643315 AVZBRENZGLZMDA-VQHVLOKHSA-N 475.501 2.446 10 20 JECD O=C1CCc2ccc(C(=O)N3CCCC34CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)cc2N1 1845704622 FFOHCJXJULEROQ-UHFFFAOYSA-N 471.517 2.181 10 20 JECD O=C(COC(=O)c1ccco1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 25454704 YRFPXBJPKBVJJK-CXUHLZMHSA-N 460.489 2.183 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(S(C)(=O)=O)c3)cc2F)C[C@H](C)O1 918289665 ZPFCAEWTXLKCIO-GJZGRUSLSA-N 463.531 2.098 10 20 JECD COCc1nc(OC)c2c(C)c(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)sc2n1 918340545 RSJSPFXFKBFEEK-UHFFFAOYSA-N 490.607 2.320 10 20 JECD CC(=O)N1C[C@H](C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)Oc2ccccc21 919697709 HHVXFTZZLBCGSS-XMMPIXPASA-N 490.539 2.373 10 20 JECD O=C(CNC(=O)c1ccc(Br)o1)NCc1ccc(N2CCC(O)CC2)c(F)c1 919970571 MKSDVZAOQHCMMU-UHFFFAOYSA-N 454.296 2.189 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)CC2)cc1 920255622 WKTHMQWIKCXYGD-ZHACJKMWSA-N 494.567 2.460 10 20 JECD COc1ccc(C2(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CCOCC2)cc1 920290908 OJZZVAWOUWKDPO-UHFFFAOYSA-N 458.580 2.295 10 20 JECD O=C(CCc1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1785351847 KHEGYLUYAYFANF-DFQPPGIBSA-N 456.495 2.022 10 20 JECD Cc1ccccc1NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785508501 FQXVPQOIUNWIJK-PMDNVAFQSA-N 467.522 2.067 10 20 JECD CCOC(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785510324 VVJNFVCNWYDDNO-QQOLHMHLSA-N 496.516 2.137 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1nccc2occc12 1787182962 ZQPLYLRQZANWNA-STHFDKQOSA-N 479.489 2.251 10 20 JECD Cn1cnc(C(=O)Nc2ccc(C3(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CCC3)cc2)n1 1787249129 UJDVXPWMNQEZDT-UHFFFAOYSA-N 457.494 2.356 10 20 JECD C[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1788237371 SPBAYEAOLXIJBE-QVUQUMENSA-N 452.555 2.195 10 20 JECD Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)c1Cl 1791958534 VNZFOTRZXCOYOO-BPUTZDHNSA-N 482.027 2.102 10 20 JECD O=C(C[C@H]1COc2ccccc2O1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1793272846 WLQMLDNWVWJJSD-CPBBTPEFSA-N 488.924 2.185 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2csnn2)cc1 1793500931 CIYFGSCFJIEEGP-RMFSNUHRSA-N 451.552 2.463 10 20 JECD COc1cc(F)ccc1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799770134 JCHNHOYUGFAHEE-USGNIVHTSA-N 478.904 2.345 10 20 JECD O=C(CCCc1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1801478974 AXEZHWPRSAMUAO-UPHUGPLXSA-N 459.930 2.372 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc2c(c1)CCCO2 1801673614 PCWHGWVMLSZAFZ-NXKWYNOOSA-N 488.544 2.008 10 20 JECD CN1CCCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1803176769 HYONWDGNURXTJT-BNQHHVCDSA-N 480.565 2.402 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1cc(-n2ccnc2)ccn1 1804288947 PSCMORGSLBILNA-XBMZCVMLSA-N 475.505 2.349 10 20 JECD O=C(CCc1cn[nH]c1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1804499066 AKCPLLSPRKZESB-NLFFAJNJSA-N 485.548 2.236 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCN2CCCCC2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807990865 KLVVPSDILDPDQE-WZONZLPQSA-N 453.543 2.083 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)CCC(F)(F)F)C2)CC1 1809486491 FFXJSYQRBQCTFI-UHFFFAOYSA-N 451.536 2.420 10 20 JECD CN1N=C(C(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)CCC1=O 1811797358 DJSLPBBRGXMKDG-JLTOFOAXSA-N 485.928 2.074 10 20 JECD Cn1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC3)n1 1815550133 UAWVBUPDTJJDQL-NSHDSACASA-N 461.931 2.410 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(OC(F)F)cn1)CC2)c1cc(O)nc(O)c1 1816721880 QUDOKQYJWBSHKM-JTQLQIEISA-N 477.449 2.485 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cccc4c[nH]nc34)sc2C1)c1cc(O)nc(O)c1 1816805652 HZSLGDJNJWCRAC-LBPRGKRZSA-N 450.480 2.365 10 20 JECD CCOc1cnc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cn1 1817843814 BMESVQFSMQOWGE-OAHLLOKOSA-N 453.459 2.024 10 20 JECD CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)COC1 1818145704 FZKIWAFLIXQGLI-SFHVURJKSA-N 450.499 2.231 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cccc(-n2cncn2)c1 1821297907 FVJAMFDRAKBQCU-GOSISDBHSA-N 474.481 2.416 10 20 JECD Cn1ncc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CN4C(=O)CSC4=S)n[nH]3)ccc21 1823498235 OVKOCFUNFJQHTN-QGZVFWFLSA-N 497.606 2.463 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cncs2)CC1 1826135232 JUXVCDGJXNZGAQ-CQSZACIVSA-N 452.627 2.237 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)c2ccccc2)CC1 1826655216 XJHFUCYFFBLHSO-NQIIRXRSSA-N 475.636 2.200 10 20 JECD CC1=C(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CCO1 1827288347 KRSDDEVSKLZJAG-QGZVFWFLSA-N 451.614 2.161 10 20 JECD Cn1nc2c(c1C(=O)N1CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC1)CCC2 1827429474 LIQFUSMKXCZNCG-LJQANCHMSA-N 453.543 2.262 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(Cl)nc1)CC2 1828242109 GOMOCELXLRVQAU-JTQLQIEISA-N 482.012 2.278 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccnn2)CCO3)cc1 1837878836 NPKCLACIVGOOCD-SANMLTNESA-N 475.549 2.268 10 20 JECD CN(C)c1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1838030238 HLSMYVABHPIPPK-UHFFFAOYSA-N 468.554 2.485 10 20 JECD Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)CCO3)no1 1839348790 MMYWDPSIVYOCAX-AREMUKBSSA-N 493.564 2.098 10 20 JECD CC1(C)Cc2cccc(C(=O)N3CC4(CCCN4C(=O)CN4C(=O)CSC4=S)C3)c2O1 1847054236 LQWRVXGTJVQXGI-UHFFFAOYSA-N 459.593 2.077 10 20 JECD O=C(O)CN1C(=O)/C(=C/c2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2)SC1=S 1601051 JXFGHXUVRFXDAH-JTAXDKCCSA-N 480.570 2.258 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(C(=O)N4CCCC4)c3C)CC2)cc1 749038709 PWMAGQJDCRBTNC-UHFFFAOYSA-N 493.608 2.117 10 20 JECD C[C@@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)NC[C@@H]1CCCO1 789056116 WKKWWRQNJNFHJJ-OLZOCXBDSA-N 452.419 2.211 10 20 JECD CN1CCN(CCCNC(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)CC1 914443567 ZSIHCXIBZHROJL-GHRIWEEISA-N 497.484 2.404 10 20 JECD O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCc1ccc(N2CCOCC2)c(F)c1 917707728 YICHDVRKGKKOFA-UHFFFAOYSA-N 467.588 2.367 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)cc2F)C[C@@H](C)O1 917712477 OXWYFLSZPCYXMN-HUUCEWRRSA-N 472.473 2.389 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)C1 918373391 XUYKIDHJDHXUPH-HXUWFJFHSA-N 496.589 2.390 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc2F)C[C@@H](C)O1 918879503 MKXDAVDRFSSBHI-SCTDSRPQSA-N 487.528 2.240 10 20 JECD CC(C)C(=O)N1CCC(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 919699290 IIOCEWVKAULZEB-UHFFFAOYSA-N 468.577 2.453 10 20 JECD CS(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cn1 919776474 QBAANWNXDZNPBZ-UHFFFAOYSA-N 485.545 2.063 10 20 JECD CC(C)c1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)n[nH]1 1780158435 BBCUKYCMSRSNKB-OOSRFHLNSA-N 484.553 2.491 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(N4CCCCC4)cc3)C2)C1 1781710698 AQPRKESJEKQJFH-VWLOTQADSA-N 466.538 2.240 10 20 JECD Cc1cc(F)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c1 1783245880 JZSFXWQITCUREX-VGOFRKELSA-N 479.599 2.122 10 20 JECD Cc1ccc(C)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c1 1783246641 BTULICYPCFCEFR-WZONZLPQSA-N 475.636 2.291 10 20 JECD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)ccc1[N+](=O)[O-] 1785182768 LLXHVXKAKRDHKI-QFIPXVFZSA-N 491.884 2.425 10 20 JECD CO[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccccc1 1786661393 KVFUECCXCBHPIU-OKQJERNYSA-N 490.560 2.147 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3ccc(O)nc3)cc2)CCC1 1790110330 DCFVESYSDHGHQD-UHFFFAOYSA-N 456.549 2.395 10 20 JECD CNCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1796039276 IXTLXPLWRLSQEI-CIAFKFPVSA-N 487.645 2.342 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc(-c2cccs2)on1 1798128426 IOOZCFFMLLOINM-HGTBEIHSSA-N 497.529 2.437 10 20 JECD CSCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1801029363 XNPBHIMYYAJNDJ-IRMYBRCSSA-N 471.623 2.411 10 20 JECD COc1nccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)c1F 1804285104 FEFAVLZQGOHBIS-PLCSWTFUSA-N 457.458 2.311 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1n[nH]c(C2CC2)c1F 1805123420 BZGSYPKSQHOBBA-QKKBWIMNSA-N 466.473 2.261 10 20 JECD CN1CCCC[C@H]1C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1805555680 BYRPGXQWBFXREO-QFIPXVFZSA-N 465.598 2.495 10 20 JECD N[C@@H](C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1)c1cccc(Cl)c1 1809816755 VZZQQBXOTPEORQ-LJQANCHMSA-N 495.070 2.431 10 20 JECD Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c(C)n1 1814190047 POSASJOLGMJTNR-DYESRHJHSA-N 483.619 2.273 10 20 JECD COc1ccccc1CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728221 BCTRTIIHEZLJEF-CQSZACIVSA-N 454.508 2.426 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2CCC3(CC2)OCCO3)[nH]n1)c1cc(O)nc(O)c1 1817847077 KDCJOLVMHHHWFC-QGZVFWFLSA-N 471.514 2.455 10 20 JECD CCOC(=O)C1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)CC1 1824863704 LAYXSXMLWPBBEQ-CQSZACIVSA-N 495.561 2.191 10 20 JECD O=C([C@H]1CCc2nc[nH]c2C1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428882 LRCJZOAHGBEGFC-JXFKEZNVSA-N 453.543 2.254 10 20 JECD CC(C)CNC(=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877500 OSTJPGSAFRIERN-QRBZPYHOSA-N 473.570 2.209 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnsn2)CCO3)cc1 1833533983 DMQOGFHGOMTUAY-XMMPIXPASA-N 481.578 2.329 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3ccc(O)cc3F)CC2)CC1 1838670279 AZXXBNBIKCTNQB-UHFFFAOYSA-N 495.598 2.004 10 20 JECD Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)CCO3)o1 1839348152 DUEHYDUCMMDQRC-SANMLTNESA-N 493.564 2.098 10 20 JECD C[C@H](C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[S@@](=O)c1ccccc1 1845776413 GLWSVDHNFROASC-STQSFFJQSA-N 478.574 2.179 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)[C@H](O)c2ccccc2Cl)C1 1846510247 RVYFFOJBOZATEB-FHVRUZERSA-N 458.898 2.407 10 20 JECD Cc1cc(C)n2nc(NC(=O)NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)nc2n1 725855362 QSLRAFNEOVANQX-UHFFFAOYSA-N 476.520 2.319 10 20 JECD CCCCC(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 825177771 OPNZCCGIDJOBMS-YBEGLDIGSA-N 450.538 2.466 10 20 JECD CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 917831902 DPNZZANBFKZCFK-MRXNPFEDSA-N 479.002 2.222 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(C(=O)N(C)C)c3)cc2F)C[C@H](C)O1 918288062 SRSIPCCQUJSAGL-HOTGVXAUSA-N 456.518 2.396 10 20 JECD Cc1cc(CC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(C)n1-c1ccc(Cl)cc1 918346253 ADRZWAWARIKDCG-UHFFFAOYSA-N 470.957 2.110 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)COc3ccccc3C=O)cc2F)C[C@@H](C)O1 918858518 IBNHUUZWOGHTQQ-IAGOWNOFSA-N 458.486 2.490 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CC(=O)N(c4ccccc4CC)C3)nc12 918949816 VYAUWUIIKLDRBM-HNNXBMFYSA-N 452.467 2.270 10 20 JECD O=C(Cc1cccc(F)c1)NCC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 919405002 XYYZRHHAXDZVHZ-UHFFFAOYSA-N 474.444 2.442 10 20 JECD COC(=O)CCCCNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 921086780 POFYYIBMSAOKKB-UHFFFAOYSA-N 451.457 2.174 10 20 JECD COc1ccc(C(=O)NC2=S=C(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)C=C2)cc1 1127613943 YEKKEBHSQHGHTN-AWEZNQCLSA-N 458.561 2.311 10 20 JECD O=C(CNC(=O)c1cc(Cl)ccn1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1317967928 VHCKEICVZDMXLH-UHFFFAOYSA-N 483.935 2.037 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc2cc[nH]c2c1 1778464958 NCFFHMMSMJNASG-NTKDMRAZSA-N 450.495 2.415 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1779282870 DZXHKXISGRYZRH-RXFWQSSRSA-N 464.566 2.228 10 20 JECD CC(C)N(C)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781123333 MFMZLMWQMJMHRO-XMSQKQJNSA-N 453.967 2.219 10 20 JECD N[C@@H](CC(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1)c1cccnc1 1792313949 MTDVPEYUIGCRPU-SFHVURJKSA-N 483.619 2.466 10 20 JECD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)ccc2c1OCCO2 1796251217 LPKLMGNJMIRNBX-YVWYUNDQSA-N 488.924 2.348 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(F)c(F)c1Br 1799706934 FJOFDKFXRQPWEK-XGISUXEOSA-N 498.280 2.051 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)c1ccco1 1800240700 GNODFEASYNATFQ-DRXBFXEBSA-N 456.829 2.339 10 20 JECD CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1803620270 XCNBMKGJDHLIHB-KSSZOTGVSA-N 469.538 2.325 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCC3)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468133 ORPJABRVQVJBMR-DFBJGRDBSA-N 497.559 2.337 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccc2c1OCC2 1809002579 RYAWMCAARBOJNG-JTSKRJEESA-N 460.490 2.456 10 20 JECD COc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(O)c1OC 1811452460 QVEQRVWYUMRHAW-QVKFZJNVSA-N 494.504 2.244 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccc(O)cn2)[C@H]1c1cccnc1 1814162303 IHTCWOPBDQLGDF-YXPIPHOMSA-N 476.489 2.332 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CC[C@H](N)C(N)=O)sc3C2)cc1 1815067082 UPCVDYCPQXVIQL-HKUYNNGSSA-N 494.621 2.369 10 20 JECD COC(=O)CCCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728537 RXTQATHUUXBMCI-ZDUSSCGKSA-N 462.528 2.299 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2ON=C(c3ccccc3)O2)CC1 1828817697 URRPFYGUCOXYBN-CLOONOSVSA-N 480.521 2.461 10 20 JECD O=C(O)c1cnncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1829254754 KKVKQESWPHIJPU-XZXOBPBMSA-N 496.520 2.238 10 20 JECD Cn1cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)cn1 1832271416 KLDYEAHYFBYCDE-QHCPKHFHSA-N 476.581 2.375 10 20 JECD CC[C@H](C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1836891309 GBUOGUPQWDDDTQ-KYGQDUPUSA-N 476.570 2.222 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc4c[nH]nc4c3)CC2)CC1 1838031601 UDYZFBIQQHMAJG-UHFFFAOYSA-N 465.510 2.295 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)cc1 1838109519 WNFSHDHIJMXKHD-RUZDIDTESA-N 480.521 2.172 10 20 JECD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)n1cncn1 1838688497 LTRVIGXDXHATGT-CQSZACIVSA-N 477.949 2.216 10 20 JECD CC(C)(C)NCC(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1842902820 LQCKRXZCMXCODL-HXUWFJFHSA-N 487.645 2.296 10 20 JECD Cc1n[nH]cc1C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251543 FOJFXEYQNOTUSZ-SFHVURJKSA-N 499.568 2.082 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2ccncc2O)C1 1844419348 HMJCFCZDZRPEIE-HXUWFJFHSA-N 495.580 2.322 10 20 JECD CCOC(=O)c1cc(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)ccn1 1844791746 GAFPHDLCUSJQRH-UHFFFAOYSA-N 459.886 2.454 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034961 PWCZFHLJUZMAOX-IQIBNGDESA-N 473.526 2.029 10 20 JECD O=C(CSc1nccs1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 917532450 WJFCRRKYICXSJF-UHFFFAOYSA-N 468.626 2.495 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 917707316 BOKXUEXKKMSGCL-UHFFFAOYSA-N 476.555 2.204 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 918336998 ANGDVQIKCMOKRQ-QGZVFWFLSA-N 461.971 2.244 10 20 JECD CCS(=O)(=O)N1CCC[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 919649596 BZARCFXKTGJMIS-CVEARBPZSA-N 498.557 2.394 10 20 JECD COCCN1C(=O)/C(=C\Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)C(=O)NC1=S 920974198 CTGIPJGSYHPSHN-QINSGFPZSA-N 494.982 2.326 10 20 JECD CCC[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)n1cccc1 1778043988 YUACSIAIQDOJNJ-KHCICDEESA-N 456.543 2.463 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4ncncc4c3)C2)C1 1778605030 NTEURAGZXUQEMI-QHCPKHFHSA-N 468.897 2.452 10 20 JECD Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)ccc2c1OCCO2 1785508838 KLNNEIPZJQTOQT-QXSXQTJGSA-N 496.516 2.040 10 20 JECD C[C@H](Cc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1791494053 QILPHGSQLPXABT-GOKMZAKSSA-N 481.549 2.070 10 20 JECD O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796931989 YDEMSBNYJVBGGK-FNLKRUPLSA-N 474.517 2.389 10 20 JECD COc1c(Cl)cccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802082377 HUPVHGXPCDGUIT-SYSDTLGTSA-N 488.924 2.382 10 20 JECD COCCCC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1802975849 TUPFBETYGDUQES-YADARESESA-N 463.538 2.307 10 20 JECD CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1803596454 SAEIVLAHRSSJNF-BEFAXECRSA-N 474.945 2.381 10 20 JECD O=C(CSc1ccncc1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804349429 HKHIVBFPBLWGSI-AOMKIAJQSA-N 465.535 2.395 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnc(C(F)(F)F)cn2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993409 KGSYDKZRUFSPCK-YJYMSZOUSA-N 488.426 2.330 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)C1CCC(O)CC1 1813198557 MJQROGSJQNOZTM-BJLBPGILSA-N 481.549 2.469 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)[C@@H]3CNc4ccccc43)sc2C1 1815037757 PADZSWFHTSIMMO-WCQYABFASA-N 487.632 2.125 10 20 JECD COc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)c([N+](=O)[O-])cc1O 1820222096 GUSRVUJBTWGPLC-AWEZNQCLSA-N 498.452 2.458 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3nc[nH]c3c2)[nH]n1 1823500244 XWUNZDBEAVXAOB-INIZCTEOSA-N 483.579 2.452 10 20 JECD O=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1827717319 ANGSMSVIHPNDOK-QFIPXVFZSA-N 450.539 2.378 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cncnc2)CCO3)cc1 1834308174 WGYIXJJKJWEZDT-SANMLTNESA-N 475.549 2.268 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cccc4nccn34)CC2)CC1 1838030173 CYBHFMSGGYILAL-UHFFFAOYSA-N 465.510 2.067 10 20 JECD C[C@H]1CCC[C@@H]1C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838300083 BKDHIEVRFYJJQM-YJBOKZPZSA-N 467.657 2.282 10 20 JECD C[C@H](Cc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840302023 RGFPIORLWZYRKI-NYYQPMLUSA-N 496.560 2.152 10 20 JECD Cc1ccc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)c1 1840665144 XOKIWABMMANBPN-HHHXNRCGSA-N 490.560 2.166 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccccc4o3)C2)C1 1840881046 ZVBZAAAPHMQIIN-AQBQYSGMSA-N 494.500 2.333 10 20 JECD CC(C)c1nn2ccccc2c1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1843221571 GJTFPRRPGLYSEM-UHFFFAOYSA-N 471.608 2.135 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249107 XHJJFAGPMUTURU-INIZCTEOSA-N 460.531 2.099 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccc3[nH]nc(C(F)(F)F)c3c2)C1 1845712054 SWCQEWXINKOHAG-UHFFFAOYSA-N 497.524 2.259 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCN(C(=O)c4ccc(C)c(F)c4)CC3)CC2)cc1 59388803 RHTJMZVGIXUXSL-UHFFFAOYSA-N 454.546 2.249 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)C[C@@H](C)S(=O)(=O)c3ccc(F)cc3)nc12 729131409 HEZBJVSNQHLRFV-GFCCVEGCSA-N 465.459 2.046 10 20 JECD COc1c([N+](=O)[O-])cc(N2CCCN(CC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1Br 914572028 HNQVFXORLOXMJT-UHFFFAOYSA-N 486.323 2.409 10 20 JECD CN(CCCNC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)S(C)(=O)=O 917205567 DAEHRXLVPYPNBE-GOSISDBHSA-N 466.629 2.219 10 20 JECD CCOC(=O)c1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc([N+](=O)[O-])c1 917834168 XPNVNAFRVMOYRG-MRXNPFEDSA-N 454.483 2.403 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=CCCS1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126866 MQVXFWCHYGWIHA-HYBUGGRVSA-N 468.579 2.314 10 20 JECD CC(C)(C)n1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cn1 1782004827 NRFOKNJHBQRSRN-QFIPXVFZSA-N 462.934 2.460 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1783321347 FYWRIUONLAQDSZ-AFMDSPMNSA-N 476.533 2.077 10 20 JECD O=C(/C=C\c1c[nH]c2ccccc12)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1785179191 FCAJMRPPDVQCFU-UYBBGVAXSA-N 498.630 2.021 10 20 JECD COc1ccsc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785507263 MCMNXYLBBWWDBV-WTCGPSRQSA-N 460.508 2.030 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(C(F)(F)F)c(F)c1 1799535860 KAOVJCUXVCZFQT-IVWMJMPLSA-N 469.391 2.168 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1799831406 PJLZSTBYZHNWGE-DBWKPXFBSA-N 491.884 2.190 10 20 JECD COc1cccc(Cl)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804340394 LOVGIZBABJRJRT-CLLJXQQHSA-N 468.000 2.461 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cncn1-c1ccncc1 1805105365 UCIJHELHMSTIQL-UZUQRXQVSA-N 485.504 2.102 10 20 JECD Cc1nc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cs1 1805969002 IESCMWSCARNPRS-KBXCAEBGSA-N 475.621 2.026 10 20 JECD CC(=O)c1cc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n[nH]1 1808463638 DWTONISIISGKPK-HOYKHHGWSA-N 499.531 2.120 10 20 JECD CSCC[C@H](O)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814165943 MGTKXWLDKBSLAT-SCSOZSNHSA-N 487.578 2.032 10 20 JECD COCc1oncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1817799961 MDXLBOKKBKLOSN-ZDUSSCGKSA-N 494.533 2.296 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)c3cnc4ncccn34)sc2C1 1818440852 IZOMMRUVBDBNSW-LPZVBRGNSA-N 492.517 2.242 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2)c1ccc(O)cc1 1822922092 XYWNXQLKARZWRN-AAEUAGOBSA-N 490.632 2.425 10 20 JECD COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c(O)c1 1829930609 FOBKGUWEAQWLCL-GOSISDBHSA-N 491.635 2.494 10 20 JECD O=C(CSc1nc[nH]n1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832882205 CITJEHXXYSEDNH-UABRLCRWSA-N 487.582 2.347 10 20 JECD O=C(c1ccc(F)nc1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899967 AFCSOJIZKJIXCT-INIZCTEOSA-N 464.588 2.314 10 20 JECD O=C(CC12CCCN1CCC2)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902033 WWMPHMACEVOKQR-LJQANCHMSA-N 492.711 2.485 10 20 JECD COc1cccc(CC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1C 1834988474 WNCUAXCRPQTGFV-UHFFFAOYSA-N 482.581 2.238 10 20 JECD CC(C)(C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1836694769 PTARKSUMKHWNJS-BVBLWJPBSA-N 476.570 2.222 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)c3cc(O)ncn3)CC2)CC1 1836940314 CSMOGARIDKOEHQ-UHFFFAOYSA-N 476.917 2.173 10 20 JECD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)s1 1839431958 YDNPIOXRTSTVED-OAQYLSRUSA-N 482.942 2.205 10 20 JECD CC(C)(O)CC(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331313 JADXXFGZNSHBOT-LJQANCHMSA-N 474.602 2.069 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cncc3cnccc23)C1 1844652353 SJJNLCLTQKZWEB-UHFFFAOYSA-N 454.490 2.240 10 20 JECD CC(C)(C)OC(=O)NCCCC(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1847070430 NPQQXSBTERKQSG-CSKARUKUSA-N 475.542 2.325 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 728980570 KVGOGZDHKUZARV-HNNXBMFYSA-N 476.551 2.450 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(-n4cccn4)nc3)cc2F)C[C@@H](C)O1 918288492 VQZAPZYOIUORBU-HZPDHXFCSA-N 452.490 2.275 10 20 JECD CCCNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 918439558 NGCGZULHVWAERY-UHFFFAOYSA-N 456.518 2.182 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cc4c(cc3Cl)OCCO4)cc2)C1 918463644 MIQJXZMXJXUDMI-OAHLLOKOSA-N 472.929 2.068 10 20 JECD O=C(CNC(=O)Nc1ccccc1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919855204 JBFIZVLRZCELPY-UHFFFAOYSA-N 463.517 2.380 10 20 JECD COCCOC(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 920319218 ZOPKXBPFRCLCJY-UHFFFAOYSA-N 474.489 2.112 10 20 JECD O=C(NCCc1nnc2ccccn12)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 935235910 NQHKFBCWJCZLGH-UHFFFAOYSA-N 482.478 2.116 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccco1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126171 JFEXTTAEUIWKMB-HYBUGGRVSA-N 450.495 2.200 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4ccoc4C3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787538974 YUIRJGDGDUNMND-RSKVWTTASA-N 490.560 2.157 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccc2ncncc2c1 1788379050 ZXHNWUJHFWOJEJ-XZOYJPPVSA-N 498.543 2.016 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc(N2CCCC2)c(F)c1 1789244264 QKFMAGJREPJLMX-MDKPJZGXSA-N 484.528 2.139 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1791489860 AEHJKTWJRWLING-MWYJAUPDSA-N 489.576 2.033 10 20 JECD CC(C)COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)ccn1 1796913044 KUYNKADPBJDQFX-BJWYYQGGSA-N 476.624 2.229 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC[C@@H]3CCCC[C@H]31)C2 1802103925 IGCAHIKETRAOGF-XDBFUARMSA-N 479.668 2.043 10 20 JECD O=C(CCc1cnc[nH]1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1804428814 ATZBMEHBMQBBIZ-MFHKZMAWSA-N 477.521 2.274 10 20 JECD Cc1ccccc1NCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1807298243 DJMUJKGFDSEVCH-MBSDFSHPSA-N 497.646 2.368 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cc(O)ccc1F 1810926647 ZWZXOHFBUXADKT-JLTOFOAXSA-N 488.566 2.106 10 20 JECD O=C1CC(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CC[C@H](O)CC3)[C@H]2c2cccnc2)=NN1c1ccccc1 1813186797 QYCOWTNLELVUPD-XZFMWLAQSA-N 489.576 2.431 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@H](O)c2ccco2)[C@@H]1c1cccnc1 1814162933 ZFNBIGOHMCLUSP-HIWNGLJPSA-N 479.489 2.244 10 20 JECD CC[S@@](=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362218 QWQNIXGZKOGKRB-RPLXOIEJSA-N 487.607 2.007 10 20 JECD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)n1cccn1 1817366732 CIQLVPYRAXBISI-CABCVRRESA-N 477.550 2.306 10 20 JECD Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)ncc1[N+](=O)[O-] 1817845637 SNPIEUPHRQYJHC-OAHLLOKOSA-N 467.442 2.447 10 20 JECD Cn1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)n1 1818146243 ALKMTAUFNSMUHO-FQEVSTJZSA-N 474.525 2.171 10 20 JECD CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146256 XIZYXIPMNPROKD-UXHICEINSA-N 463.542 2.289 10 20 JECD O=C(CCN1CCOC1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1818695701 JQSJOMQZIQKYCZ-LLVKDONJSA-N 480.930 2.276 10 20 JECD CC(C)n1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)n1 1821683637 JFBAOMNMNFPACY-LLVKDONJSA-N 478.625 2.007 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@@H]1CCc2nc[nH]c2C1 1822688269 JNHLFVIFWRUNNF-PXAZEXFGSA-N 451.487 2.050 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1824528247 WJRNBWQMQDBFRN-DDOBUIPCSA-N 494.610 2.117 10 20 JECD COC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1826376417 GSJWPAXXGDVAKU-OAQYLSRUSA-N 468.554 2.352 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3nc[nH]c3c1)CC2 1828244397 FRYNDHLXWIKCSV-NSHDSACASA-N 486.604 2.106 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828244635 MLLZRUIBRBMTSD-TZMCWYRMSA-N 489.648 2.416 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)CCc3cnc[nH]3)CC2)CC1 1837141206 HMBGPANOHIBRMD-GORDUTHDSA-N 484.553 2.171 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC(C)(C)O)C3)C2)cc1 1839348277 KVPKKUJTYFJUOW-AREMUKBSSA-N 469.582 2.325 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)Cc2ccc(F)cc2Cl)C1 1841835455 WWEKWYGLLXLLNN-UHFFFAOYSA-N 455.964 2.085 10 20 JECD CC(C)(C)OC(=O)NCCCC(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1847066910 ZNKSLDMAIWZNOO-UHFFFAOYSA-N 483.569 2.288 10 20 JECD COc1ccc(N2CCC(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 110357462 OAGHRXZEAKGKFV-UHFFFAOYSA-N 459.568 2.115 10 20 JECD Cn1cc(CCCNC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)cn1 726801157 SMWQBWSFKGLUBJ-UHFFFAOYSA-N 459.484 2.197 10 20 JECD O=S1(=O)CCN(c2ccc(CNS(=O)(=O)Cc3cc(-c4ccccc4)no3)cc2)CC1 726976849 RWAPMAMNYCBHAX-UHFFFAOYSA-N 461.565 2.196 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(N4CCCC4)nn3)cc2F)C[C@H](C)O1 727874567 JWPPUCSFIIKMFQ-IRXDYDNUSA-N 471.533 2.303 10 20 JECD COc1ccc(N2CCN(C(=O)CNc3cccc(C(=O)N4CCC(CO)CC4)c3)CC2)cc1 729266242 RBVTWPHZNBUZDU-UHFFFAOYSA-N 466.582 2.300 10 20 JECD COCCN1CC[C@@H](NC(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)C1 730787712 PSRKCWSYSNJZEM-VGVSSDJJSA-N 484.441 2.487 10 20 JECD CCNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 918286832 KSRCEFFYDFWPCK-IYBDPMFKSA-N 456.518 2.444 10 20 JECD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 918443104 SXRWZWGDTAWXID-UHFFFAOYSA-N 464.566 2.351 10 20 JECD Cc1cc(C(=O)COC(=O)CN2CCS(=O)(=O)CC2)c(C)n1-c1cccc(Br)c1 919137529 WMEHARQZEVPDEK-UHFFFAOYSA-N 483.384 2.313 10 20 JECD CCNC(=O)NC1(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CCCC1 919992419 YFHLKDPXTLXAKX-UHFFFAOYSA-N 469.565 2.190 10 20 JECD CS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc([N+](=O)[O-])c1 920299537 FLWITEUVGPTVSJ-UHFFFAOYSA-N 451.476 2.029 10 20 JECD CCS(=O)(=O)c1ccc(CNC(=O)C2=S=C(NC(=O)c3ccc(OC)cc3)C=C2)cc1 1525062684 NFPAFQNECNTRDH-UHFFFAOYSA-N 458.561 2.140 10 20 JECD CC(C)(C)c1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cn1 1777848047 IDQQGWDTLHCRIU-HOYKHHGWSA-N 469.542 2.022 10 20 JECD C[C@]1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)CCCN1 1781122175 SKJKCMJQTZBDKJ-ZPMCFJSWSA-N 451.951 2.021 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/C1CCCCC1)C2 1783246014 NIVQJRDVWYQLAT-PWISXXLXSA-N 479.668 2.497 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1785510156 PCMJHTBSIYNJBX-ZGVNINRLSA-N 490.896 2.025 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245240 ZVTAGXHIUAJZPQ-RFUYNDQBSA-N 470.913 2.306 10 20 JECD Cc1ncccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1793922153 MUBHZTXMWYTSBS-UPHUGPLXSA-N 459.930 2.291 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1c[nH]c2nccc-2c1 1796200271 IRCHETMLLCYVHJ-JLVBRIDZSA-N 456.886 2.096 10 20 JECD CCC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1)n1cccc1 1796479815 WJUVBBYHFIJOPE-SZGVKKGVSA-N 477.565 2.212 10 20 JECD COc1ccccc1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799767981 HQEZVHKJDKBBQP-VPTLXERWSA-N 460.914 2.206 10 20 JECD Cc1cccc(CCC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)n1 1804294224 JYUMHIBOSYCINE-MBSDFSHPSA-N 497.646 2.284 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807998595 MWJUVTHKEXQMQC-JIGPKXGUSA-N 463.494 2.070 10 20 JECD CCc1cc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)nn1C 1808470784 ZHQMKEJGMZWQNR-UQBPGWFLSA-N 499.575 2.490 10 20 JECD Nc1nc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cs1 1814162821 RIUHHRCSDJMLEI-ZIPBJVRUSA-N 481.534 2.270 10 20 JECD Cc1ncncc1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814163809 MPPLESOUVQUKPY-OPWPMMOYSA-N 475.505 2.330 10 20 JECD COc1ccc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)nn1 1814164304 YCOKMCVJERBGJP-WMUCXUQKSA-N 491.504 2.030 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2nc3ccccc3[nH]2)[C@@H]1c1cccnc1 1814188876 CUEXFASTSLXKLR-FOIQADDNSA-N 494.602 2.138 10 20 JECD COc1ccccc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814190393 ZEAVZSXMHUYJHN-IIBYNOLFSA-N 484.603 2.270 10 20 JECD Cc1nccc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n1 1817361895 AZFQDCVIILXRGY-CQSZACIVSA-N 475.534 2.260 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1cccnn1 1819714853 NVGULFGNJOTHFV-LJQANCHMSA-N 458.482 2.299 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnnc2)[nH]n1 1823476440 GNCQLDQFXGOSPS-BIENSFFJSA-N 450.455 2.336 10 20 JECD O=C([C@@H]1CC[C@@H]2CCC(=O)N2C1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427906 LLCJNARKZWIFSR-RLLQIKCJSA-N 470.570 2.127 10 20 JECD O=C(c1cc[n+]([O-])cc1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716216 GHCRCIZVABCSFV-QHCPKHFHSA-N 475.549 2.346 10 20 JECD CCN(C)[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828197881 ODCPLSUMKYTRBN-FVVXQEQBSA-N 460.556 2.226 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1ccco1)CC2 1828239719 DRZBRKGAEOSIKC-NSHDSACASA-N 464.594 2.141 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3nncn3c2)CC1 1828642364 KSRJBRKMRSKRCA-SFHVURJKSA-N 450.499 2.083 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc(OC(F)F)cn3)CC2)CC1 1837323564 VVWUZAVZTCPSAK-UHFFFAOYSA-N 492.479 2.415 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)cc1C(F)(F)F)CCO2 1840766082 REJRQEXWKLIYSA-NRFANRHFSA-N 499.417 2.035 10 20 JECD Cc1c(F)cccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880017 SOINHZWSGXWQIJ-VQEXNLMWSA-N 486.496 2.034 10 20 JECD CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)CC1 1843974421 YMBCEVZRLQTUCD-UHFFFAOYSA-N 477.609 2.075 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cccc(I)c2)C1 1845304234 QNCCAYQLZMZTBW-UHFFFAOYSA-N 479.274 2.228 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CCCn3c(=O)oc4ccccc43)CC2)cc1 23475587 NGPLKNORRGGGNQ-UHFFFAOYSA-N 453.495 2.275 10 20 JECD CCN1CCN(c2ccc(CNS(=O)(=O)c3ccc(CCNC(C)=O)s3)cc2F)CC1 730572410 HIUQMRGWFWHQFH-UHFFFAOYSA-N 468.620 2.186 10 20 JECD C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)cc2)C1 915731971 MLWYNLOIQYRRFL-KRWDZBQOSA-N 458.584 2.428 10 20 JECD Cc1ccc(CN2C[C@H](C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2=O)cc1 918831129 WIOQQACASVRDFI-OAQYLSRUSA-N 483.540 2.179 10 20 JECD CCOC(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nc1C 919102175 HABQSKKXRHDUDM-UHFFFAOYSA-N 459.474 2.016 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3C)CC2)cc1 919795840 XCZIEQKOCUSIDA-UHFFFAOYSA-N 480.565 2.153 10 20 JECD CSc1ncccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777851267 SXQUIPJMGSLDNE-OPAMFIHVSA-N 458.540 2.051 10 20 JECD CC(=O)Nc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1782005496 JNIADUOMAPUYCA-DEOSSOPVSA-N 487.940 2.396 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(F)(F)C(F)F)C2 1783218201 DKKXECDBNRXPHY-XRLDPFIYSA-N 476.423 2.231 10 20 JECD O=C(Cc1cccc(F)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1786525932 ULDMRPCJCHHIAK-JSFTZJQYSA-N 470.497 2.178 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1796935039 QHKTZXZVOBNTKU-LBHSNNGHSA-N 480.565 2.397 10 20 JECD COc1ccc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1799640180 CYCRHFFHQCEPTQ-KWIBEYCFSA-N 468.506 2.037 10 20 JECD Cc1cccnc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799767271 IVLXQMBVHHFNHX-VPTLXERWSA-N 459.930 2.291 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccccc3)no1)C2 1802080593 YLLPQHVNUOTZEC-RZMQENIISA-N 491.500 2.375 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)[C@H](O)c1ccco1 1802519225 AQNCDKXVLABWHG-NTUVXCKYSA-N 487.516 2.207 10 20 JECD O=C(Cc1cncnc1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1804651896 VYRBRWONJWQCAX-IIBYNOLFSA-N 467.913 2.499 10 20 JECD CN(CC(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1)C(=O)c1ccccc1 1805843483 ADCWFKBGZXAUMS-UHFFFAOYSA-N 466.538 2.110 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3c[nH]nc3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993870 MNSJVQPHBFMGDJ-VGOFRKELSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3nc[nH]c3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995575 GLKBXWWACGHXQN-OPAMFIHVSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccn(C(F)F)c1=O 1810604052 PBIYSRHZOHHMTL-KUHUBIRLSA-N 485.447 2.078 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811797769 WDESUOVISVDTCA-RCDCFZSISA-N 474.945 2.381 10 20 JECD Cc1ccoc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814189680 WAHJGJSEVSOANX-YJBOKZPZSA-N 458.565 2.163 10 20 JECD O=C1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CN1 1814524316 FZGRWWNJANXTDR-NHYWBVRUSA-N 461.906 2.306 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCc3nc[nH]c3C2)[nH]n1)c1cc(O)nc(O)c1 1817848393 HEDUILFRHBTLSA-PXAZEXFGSA-N 451.487 2.050 10 20 JECD CC(=O)c1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)n[nH]1 1818145754 ITOUEUACVDXNDN-FQEVSTJZSA-N 488.508 2.434 10 20 JECD CNc1nsnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145999 QCRFWVKQZZKRNS-INIZCTEOSA-N 493.553 2.402 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1nc2ccccc2[nH]1 1818494015 OEJKTVUJMIARTJ-OAHLLOKOSA-N 483.579 2.452 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)C1 1818819004 KFXPACTVJJMZHE-MRXNPFEDSA-N 486.529 2.389 10 20 JECD O=C(C[C@@H]1CNc2ccccc2O1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1819657241 MRXKZNBYMDDUSR-UONOGXRCSA-N 481.534 2.438 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc(O)cc1F 1821112193 KEJFKHVJBJEHNR-OAHLLOKOSA-N 477.543 2.421 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3nccn23)[nH]n1 1823499389 DIGQSXSNDAQUFF-CQSZACIVSA-N 483.579 2.224 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cncn3c2)[nH]n1 1823500236 XHFRUCPUDLHEQC-INIZCTEOSA-N 483.579 2.224 10 20 JECD Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1825013305 RLEGECHCTPCQQJ-GOSISDBHSA-N 478.640 2.314 10 20 JECD Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)no1 1826634723 SWGGUEXQAPACMJ-AWEZNQCLSA-N 478.534 2.387 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1826905302 ZICUZJWXPQFPIC-APWZRJJASA-N 489.667 2.362 10 20 JECD O=C(c1cc(O)no1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716796 WFSLMUSKSUMPBT-LJQANCHMSA-N 465.510 2.406 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)cco1)CC2 1828198428 CTLKMEWBIGLCEY-QSLRECBCSA-N 469.475 2.152 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)o1 1828922057 JCPBVPVATPXHEN-INIZCTEOSA-N 492.623 2.332 10 20 JECD O=C([C@H](O)c1ccccc1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898656 USHVDFCWCWOPCU-WIYYLYMNSA-N 475.636 2.200 10 20 JECD Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1835628325 JAEAVOQTLMFBLX-AREMUKBSSA-N 493.564 2.357 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)[C@@H]3CCc4ccccc4[C@H]3O)CC2)CC1 1836740290 XZNOGIPRGVKJOR-RCZVLFRGSA-N 495.576 2.401 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)[C@H](O)c3ccccc3Cl)CC2)CC1 1838031665 BLJKPDVYBAAAFR-JOCHJYFZSA-N 489.956 2.492 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031821 PIFYUUCNCHCTDP-KRWDZBQOSA-N 468.554 2.379 10 20 JECD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1839912883 LUAGLWVAYIFMDA-GMAGDTKFSA-N 494.592 2.062 10 20 JECD C[C@@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)CC=CCC1 1840559903 VTZWXUMMXQTRSI-ZSHMNPNXSA-N 472.538 2.019 10 20 JECD CCN(C)[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331442 YGJGDYPOFMBJSA-GHTZIAJQSA-N 487.645 2.248 10 20 JECD O=C(c1c(F)ccnc1Cl)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441276 KPMIEJBDNAHSIR-UHFFFAOYSA-N 455.877 2.484 10 20 JECD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1 1847038175 CPCLAYHRYXBPNA-WEVVVXLNSA-N 482.493 2.308 10 20 JECD Cc1cc(C(=O)Cn2nnnc2C(C)(C)C)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 109004686 OBFDTHPJFCQQSY-UHFFFAOYSA-N 486.598 2.282 10 20 JECD COc1cc(Br)c(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)cc1OC 727178304 UWBIUTGCRGWYIY-NTUHNPAUSA-N 481.415 2.217 10 20 JECD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 728209785 PMZDIYWOGRBLAW-OXJNMPFZSA-N 475.615 2.141 10 20 JECD CN(C)c1ccc(CNS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)cc1F 746702549 QYIZWBNIGYDJGU-UHFFFAOYSA-N 458.309 2.464 10 20 JECD Cc1cc(=O)c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)nn1-c1ccccc1[N+](=O)[O-] 749795675 YBIRSKAJMLNVQA-UHFFFAOYSA-N 479.493 2.331 10 20 JECD COc1ccc(OC)c2c1CN(Cc1cc(C(C)=O)cc(CN3CCOCC3)c1O)C[C@H]2O 915207067 ZDEWDWUPYNKUGZ-OAQYLSRUSA-N 456.539 2.493 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3C(=O)N(C)C)cc2F)C[C@@H](C)O1 918287134 OFSWFYSFJUNDTM-HZPDHXFCSA-N 456.518 2.396 10 20 JECD O=C(COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)NC1CCC2(CC1)OCCO2 918848543 IDNSXYKIAZAXSK-UHFFFAOYSA-N 494.456 2.329 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3ccc4cnccc4c3)C2)C1 1777858944 DZKDKQMQZHNFAN-HHHXNRCGSA-N 483.528 2.471 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccn2cncc12 1779135388 KCXUXPKOVZWGTM-YRHVXKOMSA-N 492.532 2.292 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(C)C(=O)CC4)CCO3)C2)cc1 1781750814 JYUUXBYMFPYZHA-SANMLTNESA-N 477.565 2.146 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cnn3ccccc13)CCO2 1782005653 SWLDFCARDWRICZ-QFIPXVFZSA-N 456.886 2.156 10 20 JECD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc(C)c1C(=O)O 1785510148 OSPRDKXMXOUKJA-CKUSHTOWSA-N 496.516 2.275 10 20 JECD O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1792421203 VKCYVVIZIRVHBW-YVWYUNDQSA-N 475.885 2.105 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCOc1ccc(Cl)cc1)C2)c1cc(O)nc(O)c1 1796136112 QRUWNCUJVDCHQX-MFKICJERSA-N 475.929 2.209 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-c3cnco3)c1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480692 FVBATTJYKZJSNA-NXKWYNOOSA-N 499.527 2.338 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cccn2nccc12 1796935070 SRLXULPHOYJYQG-GGPHIMKMSA-N 456.506 2.379 10 20 JECD O=C(CN1CCc2sccc2C1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804271537 ULFPVKHROLRXAG-BXKMTCNYSA-N 493.589 2.327 10 20 JECD COc1cccc(/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c1 1804336247 MCKUBTPBOBHGFZ-ORIYUZMUSA-N 459.593 2.207 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2CCC(CO)CC2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994762 ZPOVLTKKVWKOHT-AYIDNSKRSA-N 454.527 2.006 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(-n3cccn3)nc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995794 UTGUCCLGJOMRSL-HXOBKFHXSA-N 485.504 2.102 10 20 JECD COc1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c(F)c1 1816721655 NSGYSNZBKFWULK-JTQLQIEISA-N 459.459 2.032 10 20 JECD CC(=O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362997 FBABRLULSXUAFL-CQSZACIVSA-N 467.551 2.463 10 20 JECD N[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cccnc1 1817411790 NVOACSOUPWURSY-RDJZCZTQSA-N 451.487 2.007 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cnc4ccccc4n3)sc2C1)c1cc(O)nc(O)c1 1817954990 ONBUWNJEJRYEAN-LBPRGKRZSA-N 462.491 2.432 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cccc4c3OCCO4)sc2C1)c1cc(O)nc(O)c1 1818314372 VEAAKLSHRUTKFZ-LBPRGKRZSA-N 468.491 2.260 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1818886201 JODAXKDWBAXJEE-UTUOFQBUSA-N 452.627 2.352 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@@H]1CCCS1 1823017289 BWQLTQOASVOKDQ-STQMWFEESA-N 453.615 2.158 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnn2)[nH]n1 1823476351 YNLZMWJXLOKJSA-MNDMWVCDSA-N 450.455 2.336 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)C23CC(F)(C2)C3)CC1 1824583980 YGZVGARPNWJECD-TVRCVXMWSA-N 453.605 2.359 10 20 JECD O=C(C1=CCCS1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896938 UQEFCHFLXGOBMD-HNNXBMFYSA-N 453.655 2.487 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1cc(=O)cco1 1834345153 KSAGVNCGVYVSAS-UHFFFAOYSA-N 475.929 2.203 10 20 JECD CCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1834987791 QAVUGFXGSJZEJP-VWLOTQADSA-N 455.555 2.201 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1cccc(F)n1 1835905690 GNTKXLJJPAROJJ-UHFFFAOYSA-N 492.555 2.199 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1837285631 RVKKNWQBPLEMPU-UHFFFAOYSA-N 491.928 2.076 10 20 JECD Cc1n[nH]cc1C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838545393 YKAVOBPEGXNTQW-HWKANZROSA-N 470.526 2.161 10 20 JECD Cc1ccccc1CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881218 IYROOTCOBUXUPC-HWOQGQEBSA-N 496.560 2.214 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cnc3cc(C(F)(F)F)ccn23)C1 1845717313 SUYJFNJDFLMJBL-UHFFFAOYSA-N 461.400 2.290 10 20 JECD COc1ccc(N2CCC(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 110356777 WTFBOINORZPANL-UHFFFAOYSA-N 489.594 2.124 10 20 JECD COc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1-n1nnnc1C 726701551 QRLVJCNVPFFPFQ-KRWDZBQOSA-N 464.530 2.003 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCN3C(=O)OCC(F)(F)F)CC2)cc1 727801586 IODIPYCLQZATQI-GOSISDBHSA-N 458.481 2.097 10 20 JECD C[C@H]1CN(C[C@@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@@H](C)O1 729600351 XYPZHEOYNFWOQR-QRICJDHISA-N 457.619 2.172 10 20 JECD O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CC(Oc2ccncc2)C1 730833602 PDKKAARNCLRBRH-UHFFFAOYSA-N 470.463 2.400 10 20 JECD CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1F 731363358 FLLCIJHAJQAGIO-HNNXBMFYSA-N 479.578 2.406 10 20 JECD Cc1c(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)cccc1C(=O)N1CCSCC1 749031923 VUOAUVKIIGQRBA-UHFFFAOYSA-N 482.606 2.276 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)cc2)C1 918118629 UUIUDWMFZWFSGR-UPVQGACJSA-N 465.598 2.089 10 20 JECD Cc1c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 919228018 WCXOIMIUUMNIPL-UHFFFAOYSA-N 476.417 2.260 10 20 JECD O=C(COC(=O)[C@@H](c1ccccc1)n1cccn1)NCc1ccc(N2CCOCC2)c(F)c1 920910303 VRWBYJZACJRSNY-HSZRJFAPSA-N 452.486 2.308 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(NC(=O)c2ccc(O)nc2)cc1 1328415157 CXQVRRDYURMNPM-UHFFFAOYSA-N 480.546 2.204 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4ccccc4)nc3)C2)C1 1779889114 ADVKFQRSPHXYNO-RUZDIDTESA-N 460.490 2.312 10 20 JECD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)ccc1Br 1781617609 YUZVPWFDHOOGLO-NRFANRHFSA-N 492.326 2.021 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc[nH]1)C2 1783222522 XPJHAFSSKSGNSE-SZMMQSAJSA-N 469.538 2.291 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-c3ncc[nH]3)cc1)CCO2 1785511640 QQNJRJLXOVGBCN-WHVGEVHXSA-N 490.516 2.350 10 20 JECD CC(C)c1nn2ccccc2c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1787252263 UUVYFFHVVCCXIN-IEZWGBDMSA-N 479.537 2.171 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(F)(F)F)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539184 YKLHEACKVAAYMG-ZVZYQTTQSA-N 466.460 2.102 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)nc3F)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242450 OGPBOLNCIPFCJJ-NKFCBESUSA-N 467.856 2.332 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC4(CC3)OCCO4)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790246078 JPMABFNLTQMLAR-KNBMTAEXSA-N 494.972 2.278 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccn(C(F)F)c1=O 1798670238 QIVWPOHSTYYBKJ-RRJKNOHSSA-N 475.448 2.325 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2)c1cc(O)c(O)c(Cl)c1 1799767470 STAJKRJNUPSCFH-VPTLXERWSA-N 489.912 2.495 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC2(CC1)OCCO2)C1=NN(c2ccccc2)C(=O)C1 1801501518 LNXDAHVJQUCIGO-NUZGMZIFSA-N 480.565 2.351 10 20 JECD COc1cccnc1CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804453051 NGACBIYOVXYAMU-XDHUDOTRSA-N 477.521 2.244 10 20 JECD CCn1ccc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n1 1808467948 KIYQPKZIOUDYLX-CYFREDJKSA-N 485.548 2.411 10 20 JECD CCc1ccnc(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)c1 1810397935 JSHJTWVZQREDNJ-UHFFFAOYSA-N 460.625 2.349 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)/C=C/c2ccoc2)[C@H]1c1cccnc1 1814184745 FIIAXZVZPXWDRV-GVDJREIDSA-N 470.576 2.254 10 20 JECD O=C(CNC(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1815924102 YCUXAVMHXNQMPG-AWEZNQCLSA-N 470.511 2.013 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1817307964 IORNZNBTTNSSHQ-JOYOIKCWSA-N 466.947 2.300 10 20 JECD CC(C)O[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823499995 JGZCJHYPVJLCBW-JSGCOSHPSA-N 453.590 2.076 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCS2)[nH]n1 1823500518 CLVWDWDTYXMMJR-CHWSQXEVSA-N 453.615 2.158 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2S)CC1 1823759629 AXKPEZOWOJWXQG-INIZCTEOSA-N 478.665 2.464 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1824403980 ZESXPGIBOPHLQZ-GRWKNNQQSA-N 473.570 2.351 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2)n1ccnn1 1824690634 HAGIILRXUOBRFP-KOLCDFICSA-N 462.919 2.286 10 20 JECD NC(=O)c1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1825402845 ZGRNEUYUBWFELB-QRBZPYHOSA-N 494.548 2.244 10 20 JECD Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)s1 1834118285 XCZUCKXIGKSWPO-UHFFFAOYSA-N 480.681 2.102 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1cccnc1 1834134063 VVPGPRRPBPKBMF-UHFFFAOYSA-N 474.565 2.060 10 20 JECD O=C(CNc1ccc(F)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835583024 BJBKCYGAIADBIM-QHCPKHFHSA-N 493.919 2.072 10 20 JECD COc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1O 1836600471 OLNWWHISICQFAY-UHFFFAOYSA-N 485.537 2.062 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)ccn1)CCO2 1837865647 OSPRODREWGCSIQ-NRFANRHFSA-N 482.320 2.183 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3scnc3C3CC3)C2)C1 1839431586 AIVYYEZPJBIKMU-QFIPXVFZSA-N 493.969 2.469 10 20 JECD C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1839933334 LSQLWFFHRXRVAZ-OUIOLJNISA-N 496.560 2.467 10 20 JECD O=C(c1ccc(N2C(=O)c3ccccc3C2=O)cc1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250489 FWUMTQPZTAYNKL-UHFFFAOYSA-N 498.495 2.424 10 20 JECD O=C([C@H](O)c1ccccc1Cl)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442821 ZZPWRVVONPHSMH-OAQYLSRUSA-N 466.925 2.370 10 20 JECD CN(C)[C@@H](C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2)c1ccc(Cl)cc1 1845844858 IUSIRBMWTYKHIR-GOSISDBHSA-N 481.043 2.006 10 20 JECD C=C(Oc1ccccc1O)C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038547 CXVDJWGCNYXBIB-CSKARUKUSA-N 452.463 2.318 10 20 JECD COc1ccc(Cl)c(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)c1 1847056223 KFROJJBDGCCIDR-UHFFFAOYSA-N 453.973 2.026 10 20 JECD O=C(CCc1cnccc1C(F)(F)F)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056585 KKRCJXXEBQVKSL-UHFFFAOYSA-N 486.541 2.097 10 20 JECD Cn1ncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc(O)c(O)c2O)c1C(F)(F)F 1848303843 JJNCJZLBWNEKAG-RDJPRVRMSA-N 466.416 2.085 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 106072966 YDLAJKCKJUNAMF-UHFFFAOYSA-N 460.600 2.309 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cc(OC)c(OC)cc3C(=O)N(C)C)CC2)cc1 726726483 SJBVMBSRTBSZQI-UHFFFAOYSA-N 484.553 2.138 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)c1 729062729 VBABFKDEFMLBAG-CQSZACIVSA-N 463.556 2.435 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@H]3CN3C[C@H](C)O[C@H](C)C3)CC2)cc1 729586246 FQSOWRXGLZSKRZ-ZDXQCDESSA-N 473.662 2.491 10 20 JECD Cc1cccc(N2C(=O)N[C@H](CCC(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)C2=O)c1 730870689 VZSHTWTVXNABPI-OAQYLSRUSA-N 466.538 2.468 10 20 JECD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1)c2[N+](=O)[O-] 822747876 WTNLQIDPKJLUQH-CYBMUJFWSA-N 454.460 2.162 10 20 JECD CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1=O 917713527 RUHQEHZZJAUMAP-IRXDYDNUSA-N 468.529 2.252 10 20 JECD CN(CCS(=O)(=O)NCc1ccc(N2CCSCC2)cc1)S(=O)(=O)c1ccc(F)cc1 917913517 ILZCUBJONWTYNU-UHFFFAOYSA-N 487.644 2.119 10 20 JECD COCC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918285947 CFTKXGKWSCALHE-HZPDHXFCSA-N 472.517 2.279 10 20 JECD CCCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 919840031 OESIJZIVDJDENF-UHFFFAOYSA-N 451.570 2.325 10 20 JECD CSCC[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 919859887 JOKDMZQSRBBNLU-NJDAHSKKSA-N 459.612 2.436 10 20 JECD COCCN1C(=O)/C(=C/Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)C(=O)NC1=S 920979004 ZWRWKDUYTRQVSN-FYWRMAATSA-N 484.534 2.142 10 20 JECD Cc1c[nH]cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783222354 PHVKVAPERREMJH-XHDSPZKDSA-N 455.511 2.281 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)cc1Cl 1783710788 JAXAZOVDISIVDM-ZOBUZTSGSA-N 482.027 2.102 10 20 JECD Cc1ccc(OC(C)(C)C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)nc1 1785510427 ZXEBKCPFGYNBOJ-KXZPLDGJSA-N 497.548 2.208 10 20 JECD COc1cnc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)cn1 1792313910 IWRSNVIITYPALJ-UHFFFAOYSA-N 471.564 2.093 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3nscc13)C2)C1=NN(c2ccccc2)C(=O)C1 1796480780 JFDIZYPHORWROC-RSQQPWMTSA-N 489.557 2.292 10 20 JECD CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796600646 AZZGIKXLSKSPCZ-HSFUPAIVSA-N 492.548 2.340 10 20 JECD COc1cnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)c(F)c1 1796932660 OSSGEFVEDGZHKD-ACHSLPGTSA-N 465.485 2.274 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc2cccnc2n1 1797358012 FMMADWZIMPOEHF-CCWDJLKJSA-N 468.897 2.211 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)nc1Cl)C2 1802080587 YBRWJOCJQXUYNR-WFRBFAAJSA-N 494.331 2.422 10 20 JECD COCC1(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)CC1 1803545768 IRDYKLLBWODAFE-TVIPFHBOSA-N 467.522 2.344 10 20 JECD CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1803611569 DIXYUNXVCQCSKO-NZUPQLOKSA-N 477.565 2.287 10 20 JECD COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1804283218 NZMPCDWGTFPPLN-SRRZTPNTSA-N 458.511 2.044 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ncn(-c3ccccc3)n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994542 UJPALGFLVFNHBP-JTSKRJEESA-N 485.504 2.102 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnc3ccccn23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996223 OGYGAWOEURIBJB-OPAMFIHVSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1nc2ccccc2[nH]1 1809046070 SPXSWCVGTDJSBD-MGPUTAFESA-N 494.602 2.138 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)n1 1810546621 GFFHDKIGWYIBGR-UHFFFAOYSA-N 453.499 2.005 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cc[nH]c3nccc2-3)[C@@H]1c1cccnc1 1814189260 NXVYOEULKQROQG-FOIQADDNSA-N 494.602 2.089 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc(F)cc2)[C@H]1c1cccnc1 1814190415 ZXTPTIBFKBDUCN-JXFKEZNVSA-N 472.567 2.401 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814191637 MMGFOAHXNNVBOR-ODXUAPNFSA-N 495.630 2.446 10 20 JECD O=C(/C=C/C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)NCc1ccccc1 1816720211 GBFPMDJITIAYBM-FDMDGMSGSA-N 493.545 2.048 10 20 JECD N[C@@H](Cc1cscn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1816990558 NLJZZKLFGGYHDY-MFKMUULPSA-N 493.998 2.460 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc2cccn2cn1 1818781566 NKFUTBJWUMFYCS-MRXNPFEDSA-N 483.579 2.224 10 20 JECD Cc1noc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)n1 1823709038 VXKGMJTZSOGIHO-SNVBAGLBSA-N 463.903 2.368 10 20 JECD CN1CCCn2nc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)cc2C1 1827429416 KWLTUXBPVDJVMN-OAQYLSRUSA-N 482.585 2.072 10 20 JECD COC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877441 KWZYFMCMSJHCJF-JHTBKMLMSA-N 460.527 2.390 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncccn2)CCO3)cc1 1834296977 SJDLXYCRUODCBI-AREMUKBSSA-N 475.549 2.268 10 20 JECD COc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1OC 1834988683 DHHIQDMWSVVCNP-UHFFFAOYSA-N 484.553 2.009 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1)c1ccc(F)cc1F 1836321136 QVCGONVNYKISNV-UHFFFAOYSA-N 496.605 2.010 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251207 HEKURKCPFUXEQZ-IAGOWNOFSA-N 474.558 2.393 10 20 JECD Cc1cccn2ncc(C(=O)N3CCCC34CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)c12 1845706857 BBEPZLDSEIEXRI-UHFFFAOYSA-N 456.506 2.253 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)Cc2cccc(C(F)(F)F)c2)C1 1845923986 MQRRXGCPQQTVMX-UHFFFAOYSA-N 471.526 2.312 10 20 JECD COC(=O)c1cc(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc([N+](=O)[O-])c1 24088758 CXASOTMFSGSZHT-UHFFFAOYSA-N 456.499 2.332 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 726725794 IGOFGMJUCWJVGZ-UHFFFAOYSA-N 486.594 2.203 10 20 JECD Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 744661690 HSIMIAZGCPXYKR-LBPRGKRZSA-N 462.418 2.446 10 20 JECD COc1ccc(N2CCCN(CN3C(=O)N[C@@](C)(c4ccc(S(C)(=O)=O)cc4)C3=O)CC2)cc1 917485869 UHDITGLQHASEFJ-DEOSSOPVSA-N 486.594 2.036 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCC3(N4CCOCC4)CCCCC3)cc2)C1 918118870 VNPIOIOJXXOOTH-NRFANRHFSA-N 457.619 2.223 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cc(OC)c(OC)cc3C(=O)N(C)C)CC2)cc1 918462624 YNCXLIIZUDOADB-UHFFFAOYSA-N 484.553 2.092 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@H](c3cccc(F)c3)N(C)C)CC2)cc1 920252560 MXGMUTLUBBZAPS-GBJNBNQZSA-N 454.546 2.458 10 20 JECD COC(=O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781752980 YLFLXCPSHJQVDQ-RUZDIDTESA-N 485.606 2.444 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(F)CC3)C2)C1 1782905229 AYLATCOFBXZBNJ-DVECYGJZSA-N 490.576 2.037 10 20 JECD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)C1 1783865854 SEKJGDXFPRSAEB-WBPRFABPSA-N 480.945 2.174 10 20 JECD Cc1cccc(C)c1SCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787293864 SRGNBFFCWJNSKZ-WDSOQIARSA-N 471.579 2.495 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)c(Cl)c1 1787294311 LKWNRYUXNPNCEO-IWEFOYFVSA-N 461.902 2.062 10 20 JECD C[C@@H]1CCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787539787 UXXGWTKGBCJTKB-QVUQUMENSA-N 452.555 2.195 10 20 JECD COc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1 1787540292 SKHHMWYZJFIQSF-HARLFGEKSA-N 476.533 2.081 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCCCC3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242031 HJLKFRRTVCHOMY-KNBMTAEXSA-N 465.978 2.221 10 20 JECD O=C(C[C@@H]1COc2ccccc2O1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1793272847 WLQMLDNWVWJJSD-JEZSTIGHSA-N 488.924 2.185 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3scnc3c1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480910 UOGPZGCIUABDJT-GPVSGQMNSA-N 489.557 2.292 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cccn2cncc12 1796934797 SMVVWTBRZCBXSE-GGPHIMKMSA-N 456.506 2.379 10 20 JECD CCOC(=O)N[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1798268704 AFTCBUQWYKHDAN-ZVXPMLRVSA-N 468.554 2.410 10 20 JECD CC1(C)CCC(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)CC1 1799402795 OJHLCARBJYMMLR-CWPLJXCYSA-N 467.657 2.043 10 20 JECD CCn1ccc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1805906888 APIYBSDJUGMECA-AEVOMHCASA-N 477.521 2.448 10 20 JECD Cc1cnn(CC(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)c1 1807664179 GQKZQAKALOZKQB-CJFMBICVSA-N 485.548 2.085 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccn(C(F)F)c2=O)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995533 QWIPMPHIFPZLRR-IFXJQAMLSA-N 485.447 2.078 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c2n1 1807995824 UUVHOZRRTQMFII-IQMFZBJNSA-N 488.504 2.406 10 20 JECD Cc1ccn2ncc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c2c1 1808161524 CKYSWXCUMWTCOD-GAJHUEQPSA-N 472.505 2.477 10 20 JECD Cc1[nH]nc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)c1F 1808464858 PWVRFIOUWDSZDI-GAJHUEQPSA-N 489.511 2.365 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnoc2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468119 ONPUUDYJNBLPDU-VGOFRKELSA-N 458.478 2.182 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811806733 RBELSRSWEXEHDT-DJJJIMSYSA-N 497.895 2.268 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc(F)cc2)[C@@H]1c1cccnc1 1814190416 ZXTPTIBFKBDUCN-OXJNMPFZSA-N 472.567 2.401 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3ccccn13)CC2)c1cc(O)nc(O)c1 1816725054 JJMBJTVCRPTRRA-GFCCVEGCSA-N 450.480 2.137 10 20 JECD CCOC(=O)c1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)ccn1 1817847625 PIEJLTVVQHOWMR-KRWDZBQOSA-N 480.481 2.407 10 20 JECD CC(=O)O[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2)C(C)C 1819480127 FTDUHWLQLKXIBU-BTYIYWSLSA-N 497.577 2.436 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1nc2ccc(F)cn2n1 1821596848 CIUOSRMLRHRJOA-CQSZACIVSA-N 466.433 2.017 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)c2nc3ncccn3n2)CC1 1828181402 OHWOBAXSVGQREA-JHTBKMLMSA-N 492.536 2.188 10 20 JECD Cc1ncccc1CCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833747866 ANIZDBJSVSNSRS-UHFFFAOYSA-N 467.570 2.014 10 20 JECD COc1ccc(C)c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834987642 ZUQKPUPGCDHJKS-UHFFFAOYSA-N 468.554 2.309 10 20 JECD O=C(c1cnc2ccc(Cl)cc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836419118 SQJQQGDDHGBQBG-XMMPIXPASA-N 498.923 2.078 10 20 JECD O=C(CCc1ccoc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433443 VHPWLBHMEQIDOD-QFIPXVFZSA-N 464.902 2.047 10 20 JECD O=C(c1snnc1C1CC1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441555 HYLJGRZTTKJNQJ-UHFFFAOYSA-N 450.524 2.025 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@](F)(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)C1 1846124684 AMLAXLDSGRJEFU-QHCPKHFHSA-N 478.521 2.049 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnc(-c3ccccn3)nc2)=NN1c1ccccc1 1848295030 WIGIJWSBQXGUOO-VXKWHMMOSA-N 481.516 2.147 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(N4CCC(C(N)=O)CC4)cc3)CC2)cc1 726728469 UHBRHKXKJXRDKY-UHFFFAOYSA-N 479.581 2.121 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 729036629 YHQMZJRTWISCLA-ZDUSSCGKSA-N 453.492 2.444 10 20 JECD CCS(=O)(=O)N(C)C1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 731359804 PKGNILPVPABWKN-UHFFFAOYSA-N 492.564 2.498 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)Cn3cnc4c(oc5ccccc54)c3=O)CC2)cc1 742378490 SHMDJKYOAWSQOM-UHFFFAOYSA-N 476.489 2.043 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCN(C(=O)Cc4ccccc4)C3)CC2)cc1 742919755 KGRDDJQBHMJMGG-QHCPKHFHSA-N 464.610 2.415 10 20 JECD CC(C)NS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1F 917834307 IHYKFNUTSLFSMQ-SFHVURJKSA-N 476.574 2.144 10 20 JECD CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 917834584 KOYQBCIOBADEFI-HXUWFJFHSA-N 472.611 2.347 10 20 JECD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)cc2F)C[C@@H](C)O1 917918390 PBBOPKCXGLPZGM-HZPDHXFCSA-N 464.563 2.482 10 20 JECD Cc1cc(C(=O)COC(=O)C2CCOCC2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 918042259 IEFZQMKYWFNKRJ-UHFFFAOYSA-N 490.578 2.268 10 20 JECD O=C(COc1ccc(F)cc1)N1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 918220619 GFTKFWUQWVUMCU-UHFFFAOYSA-N 488.535 2.359 10 20 JECD CN1CCCN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2)CC1 918443718 YCQGLMIUWPDKGK-UHFFFAOYSA-N 479.625 2.292 10 20 JECD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 920906581 HYCKLGXXPAXLIO-HUUCEWRRSA-N 477.493 2.102 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)Nc1ccc2c(c1)C(=O)NC2=O 920937843 FAFQXHWWVPAJNM-UHFFFAOYSA-N 475.484 2.148 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1c(F)cncc1F 1779842071 DFCJSEOGRVURQK-CJFMBICVSA-N 497.502 2.280 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)c3F)C2)C1 1780813256 QJJJTBRNUKHIIK-BVBLWJPBSA-N 460.433 2.239 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753881 SWUXSQIKRRCPGJ-IBVKSMDESA-N 464.566 2.228 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)[C@H]1CCc2ccccc2O1 1782150833 RMVHXXWKYWAREK-UMEGOILYSA-N 467.522 2.014 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)C2)C1 1782858163 LULROLRBMALKBO-WAIKUNEKSA-N 457.914 2.320 10 20 JECD O=C(Cc1ccc(Br)c(F)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783027636 RMQZZINYEGFDRZ-OAQYLSRUSA-N 494.317 2.081 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245999 BJYDNXLNPXAUGT-JGGXIQRISA-N 498.967 2.111 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNc4ccccc43)C[C@@H]21 1792218722 NMCQJLWODTWXOJ-BWTSCUGNSA-N 479.533 2.006 10 20 JECD C[C@H](C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1)n1cnnn1 1792300880 DJDBPAKMIMIXPX-LZTOIUFZSA-N 464.482 2.198 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc[nH]n1 1793738810 BIXXJCQXWHDSRU-ZMMAXQRCSA-N 499.568 2.209 10 20 JECD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cccs1 1801290931 MBGFHDNVOGBJIY-FSTVOOFJSA-N 466.563 2.234 10 20 JECD C[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802079316 AJKZSSOVYXZYAI-WSKSGDEPSA-N 484.524 2.424 10 20 JECD C[C@H](Sc1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804340023 FZLXATNNKPYENM-XQLPTFJDSA-N 464.638 2.061 10 20 JECD O=C(Cn1nnc2ccccc21)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1806512464 LQZBCSXPPQCAJZ-UHFFFAOYSA-N 499.575 2.455 10 20 JECD COc1cccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1806558287 QCBUVDCBFMJZKJ-FDDCHVKYSA-N 498.630 2.199 10 20 JECD CCc1noc(C)c1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807995538 RADQBYWHDYDJKO-VFNWGFHPSA-N 451.483 2.380 10 20 JECD COC(=O)[C@H]1CCC[C@@H](C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)C1 1810550636 PCZMJGIPSWVNCZ-SJORKVTESA-N 459.543 2.317 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)nn1C(F)F 1811514528 GWWVQRHFZQWEPR-IFXJQAMLSA-N 472.452 2.421 10 20 JECD COc1cccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1 1813899201 SGLCWWZPHGCICL-CYBMUJFWSA-N 490.632 2.167 10 20 JECD COc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1814189378 GMRLNDKBKKPRGH-LAUBAEHRSA-N 484.603 2.270 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)Cc2ccccc2)[nH]n1)c1cc(O)nc(O)c1 1817847174 NEOAFJDBYIATER-ROUUACIJSA-N 451.483 2.125 10 20 JECD CC(=O)C[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1825930965 WWVAHLXPOAERMK-ZFWWWQNUSA-N 467.551 2.463 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)C1CCSCC1)CC2 1828250013 NBNQLRDTLIVEKB-NSHDSACASA-N 470.667 2.059 10 20 JECD CN1CCCn2nc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)cc2C1 1831044304 WBCMAXFNGKNKKE-NRFANRHFSA-N 482.585 2.072 10 20 JECD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)ccc1F 1839321903 AGFWCUMFCDIBPD-OGPASDKVSA-N 486.496 2.034 10 20 JECD CCC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)n1cccc1 1840881037 ZNBKMHFUMUJHET-WNEWMZQESA-N 499.564 2.116 10 20 JECD COc1cc(Br)ccc1CC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250969 JLBDZDKKIPRDDO-UHFFFAOYSA-N 476.327 2.324 10 20 JECD O=C(c1cc(Cl)c(O)cc1O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442146 AJVKPDPNLOYTKA-UHFFFAOYSA-N 468.897 2.361 10 20 JECD O=C(Cc1ccc2c(c1)CCO2)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442524 QBFMYZMGHFLYBD-UHFFFAOYSA-N 458.518 2.160 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)C2=COCC2)C1 1846709328 YAYYPXONNWTLJP-SFHVURJKSA-N 487.553 2.041 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1847060466 RDXLJCFZNCCGQW-AWEZNQCLSA-N 457.914 2.387 10 20 JECD Cc1cc(C)nc(NNC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1 16190996 LCRWGGOKJWWDFM-UHFFFAOYSA-N 456.981 2.081 10 20 JECD CC[C@H](C)C(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 25646926 ZZSCPFZAKAABSY-RGZVIEDOSA-N 450.538 2.322 10 20 JECD Cc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 36241454 CRWKRRGIQWPAJM-UHFFFAOYSA-N 478.482 2.213 10 20 JECD CN(C)c1ccc(CNC(=O)CN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1 116287604 MACSWFUBNPVYPR-HSZRJFAPSA-N 450.631 2.298 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](c3ccccc3)N3CCC(O)CC3)CC2)cc1 729294140 YJKWKXSAIOXAIC-RUZDIDTESA-N 467.566 2.085 10 20 JECD NC(=O)C1CCN(c2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)CC1 749023183 HDMLSXXGRIFXLJ-QFIPXVFZSA-N 480.565 2.240 10 20 JECD O=C(COC(=O)c1cccnc1N1CCOCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 913277041 FGBDLULOXDLWDF-UHFFFAOYSA-N 471.469 2.489 10 20 JECD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 914438437 XTFCLVNFIREESS-XOAFGZPJSA-N 499.705 2.061 10 20 JECD CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1 915029865 KBGUWKINJAINAR-UHFFFAOYSA-N 482.470 2.101 10 20 JECD NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2)CC1 918295716 DQQDACXJWPXCED-HSZRJFAPSA-N 494.592 2.236 10 20 JECD Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(C)n1-c1cccc(Br)c1 918604835 SLLZMFMYMIEOAI-UHFFFAOYSA-N 473.371 2.420 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H](C)NC(=O)C(C)(C)C)cc2F)C[C@@H](C)O1 918890235 LGLLSDJBSCJKRO-OWCLPIDISA-N 451.539 2.150 10 20 JECD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 919135879 XVDNSJHCQQFISK-UHFFFAOYSA-N 482.470 2.115 10 20 JECD CC(=O)Nc1ccc(O)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1 920627718 XUGCHYHNHQARMN-UHFFFAOYSA-N 485.518 2.445 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)c1 921050111 RFNHNPXJSHHYAA-UHFFFAOYSA-N 485.556 2.289 10 20 JECD COc1ccc(/C=C/C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c(F)c1 1777851024 TWDASUDESOZDGO-PLOYQGSLSA-N 485.512 2.481 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc[nH]3)C2)C1 1779370779 AFECERWLWQLYML-QFQXNSOFSA-N 497.596 2.176 10 20 JECD Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c(F)c1 1781497141 PBESHHBMIXYXLX-PTGVWUEVSA-N 456.470 2.408 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1782661897 XOGZLROXXYBZGW-IQMFZBJNSA-N 459.930 2.469 10 20 JECD COc1cc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(F)c1 1785510280 SVPOJQSQHXZMNB-ISTCRNMPSA-N 490.459 2.247 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4ccoc4C3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787538973 YUIRJGDGDUNMND-HGBASVHRSA-N 490.560 2.157 10 20 JECD CN(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)nc1 1794792735 AZCQKFPLPVSIRD-FUEIOIHSSA-N 452.511 2.230 10 20 JECD Cc1c(F)ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c1N 1799770779 GMKXMUPTZYYSKR-DBWKPXFBSA-N 463.893 2.298 10 20 JECD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2 1800169834 JKCNHWRTAPJETN-IVSAIRAKSA-N 497.976 2.279 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)[C@H](O)c1ccco1 1802530954 WLLWSGJUSYPDQM-LJZDNSHBSA-N 479.489 2.244 10 20 JECD O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804285241 JBYJHFPZSOZEHA-KJZRSFJVSA-N 466.490 2.426 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC2(CCCN(C(=O)[C@@H](O)c3ccco3)C2)CC1 1804887322 VBFXQKVKRNZHDX-QFIPXVFZSA-N 464.522 2.337 10 20 JECD CC(=O)CCC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1806387970 MYSIZJMKHGYQRG-DVECYGJZSA-N 461.522 2.250 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2c2cccnc2)cc1 1807613183 KEEIJOLBNOIALU-DHLKQENFSA-N 484.564 2.495 10 20 JECD Cn1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(C(F)F)n1 1807995149 CTMULAFOESQSMO-YJYMSZOUSA-N 472.452 2.192 10 20 JECD CC(=O)Nc1ccccc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807999448 CIEUBXHSXDUTAX-GAJHUEQPSA-N 475.505 2.480 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3cnc(C(F)(F)F)cn3)CC2)C1 1810543971 ULHKMMILFNAJKC-UHFFFAOYSA-N 465.432 2.460 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCC3)[C@@H]1c1cccnc1 1814163784 LVLUEMFGYKTSKJ-TVFRQAABSA-N 489.532 2.374 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)n[nH]1 1814190369 YNLRHIDCZXFECD-QRWLVFNGSA-N 486.623 2.108 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccn1 1814191005 FSWVQTYEQAEFQV-HZUJVAHNSA-N 483.619 2.146 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@H]1Cc2ccccc2CN1 1818046347 BSDFPMMRDKLOHM-MOPGFXCFSA-N 462.510 2.236 10 20 JECD Cn1nc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)c2c1CCC2 1818477453 CJEWJRYVADEKBH-BCRSCGJKSA-N 495.561 2.421 10 20 JECD CCOC(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)OCC 1822564277 GHUZBUJVJVKGCO-CQSZACIVSA-N 483.616 2.051 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccn2)[nH]n1 1823476786 NTWBVVJBGDDVKD-BIENSFFJSA-N 450.455 2.336 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCCO1)CC2 1828192329 JPSMMTLZIWEFJE-ODOVOVDOSA-N 459.524 2.454 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccccc1F)CC2 1828247250 QZWCHMWCKUWUNO-SNVBAGLBSA-N 464.569 2.368 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cc3n(n2)CCCO3)CC1 1828614699 YMAMCNDJTRIWSB-GOSISDBHSA-N 455.515 2.019 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)CCn2cncn2)CC1 1832118744 VAUWUJBUCWJKKQ-QFIPXVFZSA-N 477.569 2.081 10 20 JECD CCc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)nn1C 1832899993 AIZTWBQOYGGBRO-SFHVURJKSA-N 477.656 2.076 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)nc4ccccc34)C2)C1 1836418378 QULQPRVADNBYGR-XMMPIXPASA-N 498.923 2.078 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)[C@H]1CCc2ccccc2O1 1836558573 XGFIAGKZYAVHMW-JOCHJYFZSA-N 480.565 2.072 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)[C@H]3CNc4ccccc43)CC2)CC1 1837876844 HVGYOQNZVLIITR-FQEVSTJZSA-N 466.538 2.314 10 20 JECD O=C(c1ccc(-c2ccccc2)nc1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055477 LIEDCIYEVRHGDN-UHFFFAOYSA-N 466.588 2.426 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)c1 728979253 DHKRXRCFJLXGNE-AWEZNQCLSA-N 460.556 2.348 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(-c4csnn4)cc3)CC2)cc1 743433215 ZSEYVYKUXUTJBO-UHFFFAOYSA-N 466.567 2.091 10 20 JECD COc1cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc(Br)c1OC 749271290 CFYXWZZVLAOVGD-UHFFFAOYSA-N 459.318 2.473 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)CC2)cc1 751385246 JDEATSXEMGUJSK-OAQYLSRUSA-N 490.608 2.362 10 20 JECD Cc1cc(CN2CCN(CC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)CC2)on1 916974004 CPCYKJCAOBKCQV-KDURUIRLSA-N 459.566 2.170 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(OCC(=O)O)cc3)cc2F)C[C@H](C)O1 917917246 FCTORBGWRCFNJN-GJZGRUSLSA-N 452.504 2.381 10 20 JECD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918286401 HQVFLOZIXZMJLW-IYBDPMFKSA-N 486.544 2.405 10 20 JECD NC(=O)COc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 920180753 WDTHPAQIKHANLR-UHFFFAOYSA-N 450.518 2.096 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)C2)C1 1777791047 PLFVEBBNEWYIOW-OAQYLSRUSA-N 493.010 2.125 10 20 JECD COc1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)ccc(F)c1F 1777852243 JYGXMCGYGDFGCX-WAIKUNEKSA-N 477.464 2.221 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)C1CCC(O)CC1 1782331317 NFDBKJQWDNELJD-VSPDFJTLSA-N 466.962 2.430 10 20 JECD O=C(CCc1cnccn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1782578156 DYELHCKQCBFQAC-AUSIDOKSSA-N 474.945 2.302 10 20 JECD O=C(Cc1cc(F)ccc1F)N1CC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1785358615 YEHXOPZRJOJWMQ-RUZDIDTESA-N 482.487 2.130 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3c(Cl)cccc13)CCO2 1785510201 RQKTTZLNJUCHRC-COIATFDQSA-N 498.923 2.490 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3C1)CCO2 1785510464 LMTHEPZCMOQPGJ-JEQSIAOHSA-N 478.545 2.452 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)[C@]3(F)CCCC=C3F)C2)C1 1785703033 UDXBMTRQVSPPMW-FCKLCRNOSA-N 464.465 2.392 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245165 WAFVSMWSQMZGIC-HTZUNMPGSA-N 497.939 2.443 10 20 JECD CC(=O)N(C)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1793748144 QWOYHTHOWCZORE-BRTYFSMRSA-N 466.582 2.166 10 20 JECD CC(C)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccccn1 1801218910 PEQUDKXHJALJIZ-CCWDJLKJSA-N 459.930 2.327 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)C2 1802082473 MVZBCAHSZSWTDN-RNAISNRJSA-N 464.518 2.210 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(Cl)cnc2O)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993323 WMMPELBDSKTFQK-DJJJIMSYSA-N 469.885 2.275 10 20 JECD CCn1nccc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808467031 CZDPKZCDMIHSHK-NTKDMRAZSA-N 485.548 2.411 10 20 JECD Cc1nocc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808468031 MYLYZRNOWKGQBD-JPYJTQIMSA-N 472.505 2.491 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3n[nH]c4c3CCCC4)sc2C1)c1cc(O)nc(O)c1 1816783582 NPXBBYNNAUGMER-NSHDSACASA-N 454.512 2.091 10 20 JECD CC(=O)N/C(C)=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717496 KBNGMIRMHVSOTP-NGIFANIDSA-N 479.581 2.439 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCCO3)CC1 1828614701 YMAMCNDJTRIWSB-SFHVURJKSA-N 455.515 2.019 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)COc3cccc(Cl)c3)CC2)CC1)c1cc(O)nc(O)c1 1834985839 XHWYAESEXLGFHM-UHFFFAOYSA-N 488.972 2.410 10 20 JECD Cc1cc(C)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1838949375 ZMEKTJZDEMSGJY-JFAKYYBVSA-N 482.533 2.204 10 20 JECD COc1cscc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839434027 JMGWESQVRMBYEX-OAQYLSRUSA-N 482.942 2.205 10 20 JECD Nc1c(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)sc2nccnc12 1842992612 MIEDBEAPILKCLV-UHFFFAOYSA-N 459.915 2.469 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CC1 1843931805 CCLFOIFVWDAPFT-INIZCTEOSA-N 474.558 2.347 10 20 JECD COc1ccc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1N(C)C 1845114652 MVYGAORYYJSYTE-UHFFFAOYSA-N 475.549 2.371 10 20 JECD Cc1cc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)ccc1Br 1847055995 PVLQRCIBILZNKD-UHFFFAOYSA-N 482.425 2.435 10 20 JECD Cc1nn(-c2ccccc2)c(O)c1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(c2ccccc2)C(=O)C1 1848330692 OAUGBSIVFWVWDW-VXKWHMMOSA-N 498.543 2.495 10 20 JECD CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1=O 10167129 SEWXRHMJNWSEEN-UHFFFAOYSA-N 477.473 2.054 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 18945356 OQHITIQJWTVINF-UHFFFAOYSA-N 490.651 2.373 10 20 JECD COc1cc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)ccc1OCC(F)(F)F 727177215 XUIURMRWESUGPZ-JYRVWZFOSA-N 470.516 2.387 10 20 JECD COc1cccc(N2CC[C@@H](NC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)C2)c1 728220302 KLYJPDBXSWZTMH-VQTJNVASSA-N 451.571 2.475 10 20 JECD O=C(NCc1cccc(CO)c1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 729599577 IGHYCSBPIKFXRT-UHFFFAOYSA-N 450.518 2.434 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3sccc3S(=O)(=O)C(F)F)cc2)C1 730964875 RUZDWDCXAXWGBZ-CYBMUJFWSA-N 457.524 2.376 10 20 JECD COc1cc(C(=O)N2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)ccc1C 917063282 MSSHLYHHYAUOOP-UHFFFAOYSA-N 484.572 2.054 10 20 JECD COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c2ccccc2O1 918288471 VLZXFCNAESAYTE-MCFFVMPBSA-N 485.512 2.023 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3COc4ccccc4O3)cc2F)C[C@@H](C)O1 919040947 JYGMEXLKQUSTHR-DMPWYTOCSA-N 458.486 2.439 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(CN4CCC[C@H]4C(N)=O)c3)cc2)C1 920939626 FFIUUADUHHLVKQ-REWPJTCUSA-N 478.597 2.160 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3cc4cccc(F)c4s3)C2)C1 1777796325 PDHHRZYIEWCXAN-NRFANRHFSA-N 493.607 2.344 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)C2)C1 1781557748 XZDVCGXQVZAUFH-HXUWFJFHSA-N 467.400 2.149 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)CCCc3cccnc3)C2)C1 1784672919 AHJRYHHHXBDOTN-PMDNVAFQSA-N 467.522 2.064 10 20 JECD CC(C)(C)OC(=O)CCCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785503613 MHSKMGFMDQLNPY-GVODCENMSA-N 490.553 2.159 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1scnc1C1CC1 1785792324 KQCPPWCZQPANBC-OHLZFXOVSA-N 485.562 2.444 10 20 JECD CCc1nn(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)c1Br 1796600557 NITYJTQWAOQNGL-CLLJXQQHSA-N 478.347 2.117 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@H]1[C@H]2c3ccccc3S[C@H]21 1797768208 HGJMWWKFMPVTPY-GDLKXRDSSA-N 494.569 2.294 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1COc3ccccc3O1)C2)c1cc(O)c(O)c(Cl)c1 1799766854 AFKCJEQKYMNBPS-JEZSTIGHSA-N 488.924 2.185 10 20 JECD Cn1cc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)c(O)c(Cl)c3)ccc2n1 1799767950 DRAIDNXJSTXDNS-CWPLJXCYSA-N 470.913 2.155 10 20 JECD Cc1ccc(CSCCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)cc1 1800866477 AAINZGVBQCEENY-BBIADKPPSA-N 471.579 2.328 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1csnn1 1803751133 QRIDRJRRNRCAPZ-IERDGZPVSA-N 475.534 2.046 10 20 JECD Cc1cc(C)n(CC(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1804578628 ASYYWBNERHFOOZ-NKNFQMRTSA-N 491.548 2.431 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cccnc2Cl)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993858 OJKSIWSKJIBADH-KKSFZXQISA-N 467.913 2.499 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994430 XBDCCCUQHPGLOF-NSXLHWASSA-N 487.516 2.401 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cc[nH]c2nccc1-2 1808075573 WGQXXKLRWWYALO-MGPUTAFESA-N 494.602 2.089 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCN2CCOCC2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803412 JEIPXGMGWHBNRY-JTSKRJEESA-N 488.972 2.188 10 20 JECD CC(=O)Nc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1O 1812047754 CTCXGMGWIJRKDO-UZUQRXQVSA-N 491.504 2.185 10 20 JECD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)[nH]1 1814162921 ZDDJUGSXIBPXDW-PQGDUDRBSA-N 463.494 2.263 10 20 JECD Cn1cccc1C(=O)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814166892 VARJEPZBCAXDSZ-KBUQRTECSA-N 490.516 2.139 10 20 JECD Nc1ccccc1/C=C/C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814186603 UESROBCNTBKGRX-UMQOZUHOSA-N 495.630 2.243 10 20 JECD COc1ccc([C@@H](O)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cc1 1814635727 JXMYPGFSIAJXNL-LAUBAEHRSA-N 467.482 2.264 10 20 JECD Cn1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c(C(F)(F)F)n1 1816726420 VYCLBWPPTFJQLC-VIFPVBQESA-N 482.444 2.241 10 20 JECD CC(C)(O)CC(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362416 OGEODLXLCALSRP-ZDUSSCGKSA-N 455.540 2.009 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2Cc3ccccc3CN2)[nH]n1)c1cc(O)nc(O)c1 1817845465 NBHBUQVPCUYDRX-OALUTQOASA-N 462.510 2.236 10 20 JECD CC(C)O[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1819511966 OCLGTSITVUHMSY-TZMCWYRMSA-N 453.590 2.076 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cncc4cnccc34)sc2C1)c1cc(O)nc(O)c1 1821213411 QJKSAOSLFDNGMQ-CYBMUJFWSA-N 462.491 2.432 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)cncc2F)[nH]n1 1823500223 WYUOKLDXWFRAGE-ZDUSSCGKSA-N 480.522 2.249 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3CCCS3(=O)=O)sc2C1)c1cc(O)c(O)c(Cl)c1 1824937717 XBIWIUAHLKABLF-BONVTDFDSA-N 485.971 2.011 10 20 JECD COC(=O)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)cn1 1827787802 ORKXKRZPYQBMCE-LJQANCHMSA-N 468.510 2.222 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCSC3)sc2C1 1828163553 MXZWXCVENBQNRR-WDEREUQCSA-N 470.667 2.059 10 20 JECD O=C(Cn1cc(Cl)cn1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898657 UTVMNIPRIJUXJU-INIZCTEOSA-N 484.047 2.017 10 20 JECD CC(C)O[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1835795536 XOSXMEVIWMQLQI-UABRLCRWSA-N 475.586 2.202 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)nn1C 1837451967 NNHLORBOKHHDLP-UHFFFAOYSA-N 492.580 2.134 10 20 JECD Cc1ccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1839431720 ILXQQRBUCNAGBQ-XMMPIXPASA-N 490.940 2.209 10 20 JECD O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250621 SIOSRPQFCQJYKV-UHFFFAOYSA-N 477.271 2.294 10 20 JECD COc1ccccc1C(=O)N1CC(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1845500641 WLDAUFYRJPVURP-UHFFFAOYSA-N 499.951 2.349 10 20 JECD C[C@H](C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1C(=O)NC2(CCCC2)C1=O 726654542 MFLVALOQVCCPEG-CQSZACIVSA-N 489.484 2.197 10 20 JECD C[C@H](c1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1)N1CCOCC1 729785246 DIWBZDYDWVYOTL-GOSISDBHSA-N 470.545 2.310 10 20 JECD CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918372542 MIVPDAOYKVKEAU-NTKDMRAZSA-N 461.566 2.233 10 20 JECD Cc1nc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)nc(O)c5)CCO4)C3)ccc2s1 1777938791 GDUJRVMOPODRND-JOCHJYFZSA-N 454.508 2.168 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1Cc3ccccc3O1)C2 1783222019 FHXKUKMEUMLKBJ-BCYPHHFESA-N 494.544 2.334 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccc(Cl)nc1 1783372796 OAOSNBLUNYZCRZ-QRFRQXIXSA-N 481.940 2.121 10 20 JECD O=C1CN(CC(=O)Nc2ccc(C3(NC(=O)c4cc(O)c(O)c(Cl)c4)CCC3)cc2)C(=O)N1 1786686618 KCUNRUUPBDSLNB-UHFFFAOYSA-N 472.885 2.051 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnccc3C(F)(F)F)C[C@@H]21)c1cc(O)nc(O)c1 1787290271 ORVYROZOJPLYFL-ZVZYQTTQSA-N 494.470 2.133 10 20 JECD COC(=O)NCC(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788673712 DJHFXKVUJNZSJH-UHFFFAOYSA-N 463.494 2.269 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)CCC3)C2)C1=NN(c2ccccc2)C(=O)C1 1796480845 WSKQISIAUBMYQO-IEMBSSLISA-N 486.572 2.100 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1nc2ccc(F)cn2n1 1800719161 SWPASKGHXNOTFP-BTTYYORXSA-N 459.865 2.499 10 20 JECD COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1C 1802082577 UVDPYVSHWUTSDR-TYLLUKGSSA-N 468.506 2.037 10 20 JECD COc1nccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1F 1807993374 JIQLAVZPUPKSCG-JLTOFOAXSA-N 467.457 2.064 10 20 JECD Cn1cc(CCC(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cn1 1808467938 JROCJRBRNVAIOW-QFQXNSOFSA-N 499.575 2.247 10 20 JECD Cc1cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)nn1C 1814987811 UQJAMMQIYLAXRV-OAQYLSRUSA-N 488.552 2.479 10 20 JECD CCC(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815103293 OYHCUGUWDOIEEP-DNVCBOLYSA-N 479.541 2.109 10 20 JECD Cn1cnc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)c1 1816574314 PBVCKQSGEUYNGF-LJQANCHMSA-N 460.498 2.242 10 20 JECD O=C(CS[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816726427 WBKAVMYHYZDDNC-KPZWWZAWSA-N 464.569 2.435 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3cnccc23)[nH]n1 1823500151 SKNJBTBAUFADBP-MRXNPFEDSA-N 483.579 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3onc4ccccc34)sc2C1 1824110956 UEJGFYJXSDWEDX-SNVBAGLBSA-N 487.588 2.370 10 20 JECD O=C(Cn1nnc2ccccc21)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827424095 OFDVMAOSXGQDPV-LJQANCHMSA-N 464.526 2.171 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)C2(Br)CC2)CC1 1830390723 LMMBTKBUBVATLV-CQSZACIVSA-N 488.473 2.394 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832218137 FPHQSJUQLNVDOC-SJLPKXTDSA-N 490.651 2.329 10 20 JECD Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1832246488 HUWRAADZERWDJP-ACMAXOTASA-N 496.560 2.214 10 20 JECD Cc1occc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1834142427 QEZLLRLKVCFMIU-NRFANRHFSA-N 450.875 2.036 10 20 JECD Cc1cc(F)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840882008 ZXUZQTKSVRNDRX-UWCCTICSSA-N 486.496 2.034 10 20 JECD O=C(N[C@@H]1CCC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)OCc1ccccc1 1845034656 ZBSQMCRTMXNLGQ-VQTJNVASSA-N 494.548 2.405 10 20 JECD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037874 XFQJOZFBGNFKIV-ZOFCCLMQSA-N 499.564 2.133 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O 109429639 PMQHFXKRKKCZLQ-HHHXNRCGSA-N 477.609 2.499 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)N[C@](C)(c2cccc(N3CCOC3=O)c2)C1=O 725766170 VEUXRYLWWAITAB-AREMUKBSSA-N 493.564 2.336 10 20 JECD O=C(CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(-n2cccn2)cc1 725863922 KGOXSSPPWANANY-UHFFFAOYSA-N 452.490 2.286 10 20 JECD COCCN(C(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)[C@@H]1CCS(=O)(=O)C1 731107996 XXWSOPYPLKPCIX-HXUWFJFHSA-N 495.642 2.126 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3ccc4c(c3)C(=O)N(C[C@H]3CCCO3)C4=O)CC2)cc1 742921244 SBQLDOXBNUJQGZ-JOCHJYFZSA-N 492.576 2.022 10 20 JECD CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)ccc21 747016429 AZOKTQZEHKVWBV-UHFFFAOYSA-N 458.584 2.401 10 20 JECD Cc1cc(CCNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c(C)n1-c1ccccc1 914466394 APGLPGCRZLTXPE-UHFFFAOYSA-N 480.590 2.187 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NC[C@H]3CCN(CC(F)(F)F)C3)CC2)cc1 916196316 AQCBZRLUQMIAPQ-GOSISDBHSA-N 457.541 2.391 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)cc2F)C[C@@H](C)O1 917712153 HQBCZFTXHUCKJB-KIMHZCHSSA-N 471.508 2.315 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(CNC(C)=O)ccc2OC)cc1C 917758355 RDCKRJUVOQBNNK-UHFFFAOYSA-N 455.558 2.202 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC3CCN(C(=O)c4ccco4)CC3)cc2)C1 918005907 QLSCNLKLEAGLRZ-SFHVURJKSA-N 453.543 2.085 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 918218990 ATKUWSHHTMFXTQ-UHFFFAOYSA-N 476.574 2.003 10 20 JECD Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918288331 UQHMSXPPWIGXOG-IYBDPMFKSA-N 477.558 2.406 10 20 JECD O=C(Cn1ccc(C(F)(F)F)n1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919699543 RBJRSULJIKQGQO-UHFFFAOYSA-N 463.439 2.474 10 20 JECD C[C@@H](C(=O)N(C)CC(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)n1cccn1 920542354 CQMPHNWZFYPSBX-JKSUJKDBSA-N 488.500 2.248 10 20 JECD C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1 1337139420 JQVCFNQDOCPCIG-GOSISDBHSA-N 472.611 2.130 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)[C@H]1C[C@@H]1c1ccccc1 1782132041 CXBZARHWPFOWBJ-NRAIQUKZSA-N 487.647 2.164 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc31)CCO2 1785510502 NEIVFJZDBNFWFG-FGYHGZIESA-N 464.518 2.377 10 20 JECD O=C(Cc1cncnc1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1786935923 NJFQBXOJVCEGHF-UHFFFAOYSA-N 455.565 2.014 10 20 JECD CC1(C)Cc2cccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)c2O1 1787365785 BSBRJDVOQUAWED-SNRMKQJTSA-N 467.522 2.113 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787540147 JLWZBFLOJWSLCE-MWYJAUPDSA-N 490.560 2.227 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccc(F)cc1 1789576539 ZCFJSJDBJGCGTD-XJABCFGWSA-N 464.497 2.212 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCC4)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245147 UYULQHOOFREOCE-RISOHXOYSA-N 474.945 2.191 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792218347 TWFDZYADVLLGDC-IVEVCXFLSA-N 481.549 2.297 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccc(Cl)cc3)[nH]n1)C2)c1cc(O)nc(O)c1 1796139545 CSJFTPBPYZJBRV-USGNIVHTSA-N 483.912 2.053 10 20 JECD CC(C)(C)OC(=O)CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799767121 ROTUERNMBCEWQT-YVWYUNDQSA-N 482.961 2.466 10 20 JECD CC(C)Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)n(C)n1 1799768109 KQGSFPHHNMVCFM-YVWYUNDQSA-N 476.961 2.200 10 20 JECD CC(C)c1nc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)co1 1804840968 OHTTWXNKHSLYBF-HNAYVOBHSA-N 487.607 2.373 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(-n3cnnc3)cc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992588 CXJBOVIJDACCND-MBSDFSHPSA-N 485.504 2.102 10 20 JECD C[C@@H]1CCc2c(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)n[nH]c21 1807996470 SZKHHBICFPJUMM-DZKLMBRESA-N 462.510 2.294 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998134 ISHLTNQOPMSSMB-MCMOPUSBSA-N 499.527 2.117 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=COCC2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470504 WVTYGBPFSMXRJJ-MBSDFSHPSA-N 459.506 2.185 10 20 JECD CC[S@](=O)CCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1810126150 ZJHCFNLTWDDQOM-CXIBAWOTSA-N 487.578 2.076 10 20 JECD Cc1nnc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC3)o1 1815494254 NQYNCQGJABDFNY-SNVBAGLBSA-N 463.903 2.368 10 20 JECD COc1ccc([C@@H](O)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cc1 1817842542 FMLUFQFCYONWFB-DYESRHJHSA-N 467.482 2.264 10 20 JECD COC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146604 SHILNIWJQTUTSS-SFHVURJKSA-N 466.498 2.148 10 20 JECD CCc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)n(C)n1 1820636900 GOMBFDHZLHXHMN-KVEVGEHQSA-N 483.550 2.495 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](N)CN)CC3)cc1 1823440451 QAUCNFZQNIROSC-WMZOPIPTSA-N 452.584 2.062 10 20 JECD Cn1cncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476572 IRNBNCCCYINGOK-PMGBHYCQSA-N 452.471 2.279 10 20 JECD CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1824789498 IRKOCJUECPCEHO-PKTZIBPZSA-N 465.598 2.493 10 20 JECD CC(=O)C[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1831805421 VTSFYVHGYRFUSY-YOEHRIQHSA-N 453.630 2.082 10 20 JECD COc1ccc(F)cc1CC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988158 HCPOTKHVFQFAGS-UHFFFAOYSA-N 486.544 2.068 10 20 JECD Cc1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1835163539 JTABTRUZPKXBNR-DEOSSOPVSA-N 490.940 2.209 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838029731 HFCIHQLWMFBRPO-MRXNPFEDSA-N 469.542 2.001 10 20 JECD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)CCOC1 1845208485 FCUNKBXSMKPHFS-HSZRJFAPSA-N 495.960 2.252 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)Cc2ccc(Br)cc2F)C1 1845943838 WNNCULWGRROUMV-UHFFFAOYSA-N 464.291 2.454 10 20 JECD CC(C)(C)OC(=O)NC12CC(C(=O)N3CCCC34CN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)(C1)C2 1846110400 WGHBQKNICOKVKC-SOFGYWHQSA-N 499.564 2.467 10 20 JECD COc1c([N+](=O)[O-])cc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)c([N+](=O)[O-])c1Br 14300822 DCCPJTMNLBWQML-UHFFFAOYSA-N 499.278 2.331 10 20 JECD CN(C)c1ccc(CNC(=O)CSc2nc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C2CC2)cc1 23563546 GTWAGXFBVVVOHP-UHFFFAOYSA-N 466.567 2.167 10 20 JECD CN(C(=O)CN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1)C1CCCCC1 728746539 WAWGKLDRVPBLML-UHFFFAOYSA-N 489.636 2.405 10 20 JECD C[C@@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)NC[C@H]1CCCO1 789056113 WKKWWRQNJNFHJJ-CHWSQXEVSA-N 452.419 2.211 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2F)C[C@@H](C)O1 917170540 KJDXWFRAABPDNV-ZIAGYGMSSA-N 470.457 2.260 10 20 JECD O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCc1ccc(N2CCSCC2)cc1 917384124 SYIHRRYULABEPL-DEOSSOPVSA-N 450.564 2.250 10 20 JECD O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 918203645 GRHLYGFAGIFBJX-UHFFFAOYSA-N 484.981 2.218 10 20 JECD CC(=O)N1CCc2cc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)ccc21 919025271 PVOIGTUMBFESAL-UHFFFAOYSA-N 455.486 2.045 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CCN(c4ccc(F)cc4)C3=O)CC2)cc1 920570642 MBQWIBVVTOHNEI-OAQYLSRUSA-N 455.486 2.079 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(-c3ccco3)no1)C2)c1cc(O)nc(O)c1 1777848093 JMXHGEAHKCMWRJ-WZONZLPQSA-N 468.466 2.182 10 20 JECD Cc1ncc(/C=C/C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)s1 1777852166 WATYUGRXPLSCHG-UVBQMJSJSA-N 458.540 2.099 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc3ncccn13)C2)c1cc(O)c(O)c(Cl)c1 1781122753 KZJQKXJMFLDQIS-WZONZLPQSA-N 485.928 2.235 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753939 UDHCWAWFVSNLIR-IBVKSMDESA-N 466.582 2.404 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(Cl)nn1)C2 1783221948 UVFBIZPQJRZXJP-NGPOVVJUSA-N 488.928 2.088 10 20 JECD Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1 1787540390 YRMFGPWMHFYNFJ-RRPUWOKSSA-N 460.534 2.381 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cnn2ccccc12 1787854320 QPYBQLBWMKLHQM-RISOHXOYSA-N 470.913 2.306 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)Cc3ccc(O)cn3)CCC2)cc1 1792315972 JJSKAOHGTMMWEO-UHFFFAOYSA-N 470.576 2.324 10 20 JECD Cc1cnc(Cl)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1794970544 PYRNTVOMFPSKJB-VPTLXERWSA-N 481.940 2.040 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccc(Cl)nn1 1796934478 JFEGUGCHGYDVPR-RBVVOMGSSA-N 452.902 2.175 10 20 JECD Cc1cn2c(=O)c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)/C=C/c3ccc(O)c(O)c3O)cnc2s1 1804285722 ABGKXUPTYMCRFZ-NCSLWMNCSA-N 496.545 2.146 10 20 JECD O=C1CSC(=S)N1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@]1(F)CCCCC1(F)F)C2 1804333256 KBEISHZJBABJLF-YFQWEKLQSA-N 463.547 2.403 10 20 JECD CO/C=C(\C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1810147670 PSJYYHOPEZWIGK-YTMKHPAGSA-N 453.495 2.468 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3nc4ccccc4[nH]3)sc2C1 1818058694 DVLMRJNOZDWHJP-JTQLQIEISA-N 486.604 2.106 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)c2csnn2)[nH]n1 1823476384 AWKHQFBWPFIRIJ-DYLGSBMWSA-N 456.484 2.397 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccn3cn2)[nH]n1 1823497440 DQMYFMOXJGZUKZ-INIZCTEOSA-N 483.579 2.224 10 20 JECD Cc1nc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)no1 1823708410 YCPZOLQAHPPMQL-SNVBAGLBSA-N 463.903 2.368 10 20 JECD O=C(c1nc2ccc(F)cn2n1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429300 IOOCISFHTIAGJI-QGZVFWFLSA-N 468.489 2.222 10 20 JECD O=C(c1cc(O)ncn1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714536 FMSPTGZLNKVOSC-NRFANRHFSA-N 476.537 2.208 10 20 JECD Cc1ncoc1C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828195018 HNMNSOBHBKTXSM-QBODLPLBSA-N 456.480 2.496 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1829861601 MWHOTBVGBNFWCD-IGKIAQTJSA-N 496.608 2.079 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)c3cnccn3)CC2)CC1 1837413367 DIGMZKOKTISOLR-UHFFFAOYSA-N 460.918 2.467 10 20 JECD Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)c(C)s1 1839431850 QXTDAPYGZNTZTP-QFIPXVFZSA-N 495.985 2.137 10 20 JECD COc1ccc(/C=C/C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)c(OC)c1OC 1843248734 IXTNNLMHZCEDTA-SOFGYWHQSA-N 469.494 2.049 10 20 JECD O=C(c1cnc(C(F)(F)F)cn1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441880 GOFWODJLBIKDSD-UHFFFAOYSA-N 472.427 2.105 10 20 JECD Cn1cccc1C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251768 VTPLIMSNXFPVGQ-GOSISDBHSA-N 498.580 2.389 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)C2=COCC2)C1 1846708774 QXEPNXPXVWEDPX-HXUWFJFHSA-N 470.570 2.212 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1OC(F)(F)F 1847365237 WWBJXRZRPMZOLM-STQMWFEESA-N 473.498 2.261 10 20 JECD Cc1nn(C)c(C)c1CC(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 10200124 MDCDTHPPOXKUMI-UHFFFAOYSA-N 458.540 2.060 10 20 JECD CN(CCc1ccccn1)C(=O)CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 727337851 RJPNJOBZPMZJRR-UHFFFAOYSA-N 472.457 2.196 10 20 JECD COC(=O)[C@H]1CN(C(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CCO1 728540167 VHTCDVWLARSUAE-HRYODUOUSA-N 485.381 2.051 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccccc3OCCN3CCOCC3)cc2)C1 744291881 KNQRDXOQABIIDY-HSZRJFAPSA-N 495.624 2.099 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 917707388 CGXMNYFSYMVIJR-UHFFFAOYSA-N 461.559 2.379 10 20 JECD CC(=O)N[C@H](C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CCCC1 918922346 HZDJABSGTLNEAR-LNPFQXMTSA-N 463.550 2.294 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3nn(CC(C)C)c(=O)c4ccccc34)nc12 918964847 QLAUNGULOJYQFP-UHFFFAOYSA-N 465.466 2.335 10 20 JECD COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 919001934 ZWYLELOOXJHOQW-UHFFFAOYSA-N 468.485 2.330 10 20 JECD O=C(COC(=O)c1cnc2sccn2c1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 919266089 XBBFBCOWFFYSKF-UHFFFAOYSA-N 459.439 2.327 10 20 JECD CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)CC1 920193274 PBEHGGYROPXTFR-UHFFFAOYSA-N 463.582 2.270 10 20 JECD COCCN1C(=O)/C(=C/NCc2ccc(OCc3ccccc3)c(OC)c2)C(=O)NC1=S 920979929 ZXIDMBXYPZTGEK-NBVRZTHBSA-N 455.536 2.137 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 928988790 PDTUBMDXMHLKMT-MRXNPFEDSA-N 472.473 2.355 10 20 JECD COC(=O)/C=C\c1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1 931296354 PFXLQTIDMASPBX-OQFOIZHKSA-N 476.467 2.200 10 20 JECD Cc1nn(C)c(C)c1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781123113 UVQGGTHLYQHKRT-HYBUGGRVSA-N 490.988 2.472 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc(F)s1 1785461046 ALLRWGTZBUXIQO-MIHQMOSUSA-N 462.499 2.311 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3cncc(O)c3)cc2)CCC1 1791470319 NUOJXANQJXKKBM-UHFFFAOYSA-N 456.549 2.395 10 20 JECD CC(=O)O[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2)C(C)C 1798273620 IVVKEQGSFLYHGF-ITBLURSFSA-N 454.527 2.005 10 20 JECD COc1ccc(Cl)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802080197 FZBJRTGLAKOIQN-GCZWLPJRSA-N 488.924 2.382 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)C1=NN(c2ccccc2)C(=O)C1 1804286561 VRNZCJDQOMXGCK-YPGIMCOVSA-N 490.516 2.248 10 20 JECD Cc1ccn2ncc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c2c1 1807992961 FLCGQROWKMOEOC-HXOBKFHXSA-N 472.505 2.477 10 20 JECD COc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(O)c1OC 1807999774 NBAFQGCTLZATRR-VFNWGFHPSA-N 494.504 2.244 10 20 JECD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cn1 1808463697 FGYVWYQKHFZAIX-NTKDMRAZSA-N 483.532 2.293 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CNC(=O)c2ccco2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803813 MDULCBZQWIIGDI-QVKFZJNVSA-N 498.923 2.489 10 20 JECD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)on1 1814161533 HOZDJQQCCPLMSE-WXYAUJHGSA-N 478.505 2.457 10 20 JECD CC(C)c1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)on1 1821665361 DSUUGDBKHRGESP-SNVBAGLBSA-N 479.609 2.341 10 20 JECD O=C(CCc1ccoc1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822923458 DTUDDLFUOKADPP-HNNXBMFYSA-N 461.569 2.488 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccc(CO)c(F)c1 1823326026 MILXILZAKXGOMS-QGZVFWFLSA-N 455.446 2.467 10 20 JECD N=C(N)SCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1826883061 KVPMSONSMPQGAQ-UABRLCRWSA-N 476.599 2.453 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1827695989 IYBBVGFPBXFHDO-IQAMCKQTSA-N 473.570 2.303 10 20 JECD COc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1F 1827949219 NHTUABSPESLRCW-JTQLQIEISA-N 494.595 2.377 10 20 JECD COC(=O)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1832068530 RNGNHRAPHLSXDY-INIZCTEOSA-N 453.923 2.341 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c3cnccc13)CCO2 1837178048 ZYJSZLCABSXMIQ-HSZRJFAPSA-N 486.912 2.011 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)n4ccnn4)C3)C2)cc1 1839348087 AQUXCUKBBXJLCQ-QFQXNSOFSA-N 492.580 2.017 10 20 JECD CN(C)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)c1 1839433695 QEOSUWVNCNITPD-XMMPIXPASA-N 489.956 2.201 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039360 JYUYJIWIWOWUKY-HWKANZROSA-N 460.870 2.398 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N3C[C@H](c4ccccc4)O[C@H](C)C3)nnc2n1 109055898 XTFPTTFLIALOHU-GDBMZVCRSA-N 456.576 2.464 10 20 JECD COc1ccc2cc(NC(=O)C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)ccc2n1 727615042 HCDQTSRNOCBVRG-GOSISDBHSA-N 461.522 2.200 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1C(=O)O 728017465 QIFNTIFKKPPWNF-UHFFFAOYSA-N 496.304 2.162 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3sccc3S(=O)(=O)N3CCCC3)CC2)cc1 742920695 MKABIXVMSCUWKO-UHFFFAOYSA-N 478.640 2.093 10 20 JECD O=C(COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1 789051801 ZRKHSPKENDTTFR-UHFFFAOYSA-N 458.382 2.484 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cc(NC(C)=O)ccc3C)CC2)cc1 915743619 JCIGGUUKCHAGRN-UHFFFAOYSA-N 467.570 2.229 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)Cn3cnc4cc([N+](=O)[O-])ccc4c3=O)cc2F)C[C@H](C)O1 917154503 KBYDGENRWOEVFT-GJZGRUSLSA-N 469.473 2.374 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)cc2F)C[C@@H](C)O1 917712255 IGIXIDRIINVZHZ-STXHMFSFSA-N 490.963 2.383 10 20 JECD COc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1[C@@]1(C)NC(=O)NC1=O 917926791 JKIGAOXOEJNCFB-HSZRJFAPSA-N 472.567 2.169 10 20 JECD COC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c(C)c1 918440858 WBQHEZVHAZHLJN-UHFFFAOYSA-N 457.552 2.355 10 20 JECD CC(C)C(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 918464564 WWRXJWACZNDVPQ-GOSISDBHSA-N 465.554 2.238 10 20 JECD COc1cc(C)c([C@H](C)NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1OC 920638151 OHKUTZAEQAUCCH-ZDUSSCGKSA-N 466.512 2.124 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cc2sccn2c1 1777828259 GFZQGPDEAXIBBN-OPAMFIHVSA-N 456.524 2.248 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)C1 1780756790 WRJHWIAGGCSEQA-FQEVSTJZSA-N 451.401 2.269 10 20 JECD O=C(c1ccc2ccnn2c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008747 JRTVFKFRYCTSIK-JOCHJYFZSA-N 456.886 2.156 10 20 JECD Cc1nccn1[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1782632612 YHRFHZDZNPVXDA-OCXASNAESA-N 484.553 2.097 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c(OC)c1 1792217645 FURRMDGHBDSKIB-MUQVZHSDSA-N 498.532 2.127 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@](F)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796602891 XQKAWNNFVLTARA-JDVWUOGWSA-N 492.548 2.484 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1nccc2nc[nH]c12 1796931926 SMFHFHNOSCLTHO-ACHSLPGTSA-N 457.494 2.003 10 20 JECD Cn1ncc(Br)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1797253244 ZJNXTGHTVCOFKR-JDGWPXKUSA-N 491.342 2.265 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2ccc(Br)cc2n1)c1cc(O)nc(O)c1 1797953499 FEVMBHLJELXGNP-QDMKHBRRSA-N 486.326 2.469 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)[C@@H]1Cc2ccccc2CN1 1804286518 TYDDHBJDTOBVPM-ADXQKQJASA-N 463.534 2.169 10 20 JECD Cn1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(C(F)F)n1 1808844398 WWWLLVHCTPCYOR-BFUOFWGJSA-N 472.452 2.192 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@@H](CNC(=O)C2(C(F)(F)F)CC2)[C@H]1c1cccnc1 1809636697 MWWLYUWLGSXPQQ-XJKSGUPXSA-N 486.541 2.290 10 20 JECD Cn1ccc(=O)cc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811370605 GZRMJALKQQXESC-YCRPNKLZSA-N 482.924 2.478 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccno1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817363524 HMWAKUBKNILAPP-GFCCVEGCSA-N 450.480 2.150 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)C1 1817845547 OMQHQXAXMJNFSG-MRXNPFEDSA-N 486.529 2.389 10 20 JECD Cc1nc[nH]c1CSCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1819630316 SBBDEEJWVBZTEO-LBPRGKRZSA-N 474.568 2.140 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1ccnnc1O 1820052829 UJYCMLGTBJAOTE-GOSISDBHSA-N 474.481 2.004 10 20 JECD Cn1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)c2c1CCC2 1828199529 XPUCJELLLANBJA-BCRSCGJKSA-N 495.561 2.421 10 20 JECD Cn1nc2c(c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN3C(=O)CSC3=S)CC1)CCC2 1830988507 YTVDSPCAGQRABC-SFHVURJKSA-N 489.667 2.002 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N3CCC(OC4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)c21 1838029880 MFRORMSLCJRFSX-UHFFFAOYSA-N 495.536 2.011 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cncc4cnccc34)CC2)CC1 1838029936 SGAKWVCLICRNCA-UHFFFAOYSA-N 477.521 2.362 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)cc1 1839349237 LEBVKQSJYUAPQO-VNAWGFGGSA-N 479.577 2.057 10 20 JECD Cc1snc2sc(C(=O)N3CCCC34CN(C(=O)CN3C(=O)CSC3=S)C4)cc12 1843243483 NTIIUOREAZLEBL-UHFFFAOYSA-N 466.635 2.344 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@](F)(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)C1 1843250909 BLPAVPMPWFGDHU-QHCPKHFHSA-N 478.521 2.049 10 20 JECD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1 1843442657 RNVQZZJUBOBMKI-UHFFFAOYSA-N 490.520 2.271 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)C[C@H]2CNc3ccccc3O2)C1 1844219649 ZYOBHMCIQIEAON-IBGZPJMESA-N 473.533 2.246 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc(-c3ccccc3)no2)C1 1844479907 WAEAZBPXPDDLON-UHFFFAOYSA-N 456.549 2.019 10 20 JECD Cc1cc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)n(C(F)F)n1 1844786877 SAWOETYFHJXNLE-UHFFFAOYSA-N 456.453 2.197 10 20 JECD O=C(CSc1ccc(F)cc1F)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056822 QJPZKDVBKBZZRB-UHFFFAOYSA-N 471.576 2.121 10 20 JECD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 515996231 OQRFKPXSEIXRDZ-AWEZNQCLSA-N 461.565 2.133 10 20 JECD COc1ccc(N2CCN(CN3C(=O)N[C@@](C)(c4cccc(N5CCOC5=O)c4)C3=O)CC2)cc1 725766811 XAOFCMSVCMMOQK-VWLOTQADSA-N 479.537 2.199 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3ccc(S(=O)(=O)N(C)C4CC4)cc3)CC2)cc1 729042125 UDRFJIWIADLAKG-UHFFFAOYSA-N 487.626 2.422 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(C(=O)NCC(F)(F)F)CC3)cc2F)C[C@@H](C)O1 917008105 KPSOVEXVEDWFRT-IYBDPMFKSA-N 488.526 2.446 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCC[C@@H](C(=O)NCC4CC4)C3)cc2F)C[C@@H](C)O1 917060065 LSQXBGFSDQTYEI-LVCYWYKZSA-N 460.594 2.294 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)cc2)C1 917834655 MJMQJUKJRUMZFE-SJORKVTESA-N 483.500 2.105 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc2)C1 918118396 QYXUYHBINUNTJV-CTNGQTDRSA-N 471.627 2.323 10 20 JECD CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 918200029 UHBMGQKOIXSXBB-UHFFFAOYSA-N 460.600 2.145 10 20 JECD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 918285967 CLLNPLPTPQPDKV-IYBDPMFKSA-N 456.518 2.362 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc(CN2CCCC2=O)cc1 918440607 STTBAYWVVSQBBP-UHFFFAOYSA-N 468.529 2.164 10 20 JECD CNC(=O)c1ccc(=O)n(CC(=O)c2cc(C)n(-c3cc(C(=O)OC)cc(C(=O)OC)c3)c2C)c1 920072106 OERCIKFAHISYOT-UHFFFAOYSA-N 479.489 2.072 10 20 JECD COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(Br)s3)CC2)cc1 920401724 CTYXQKCMIAQXRX-UHFFFAOYSA-N 488.429 2.489 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3ccc(Cl)cn3)C2)C1 1779488742 OQWJUBHFCGFVTC-AOQYBADCSA-N 459.886 2.009 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)n4ccnn4)C3)C2)cc1 1782763091 FVGLDZIKFVJOME-CPJSRVTESA-N 462.554 2.390 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)Cc1cccc3ncccc13)CCO2 1785504094 XBNUIRRYFVKMRH-MFRZQGIHSA-N 489.528 2.437 10 20 JECD O=C(/C=C/c1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1795279922 KQQYORBVCJCOKB-ITZSLQJVSA-N 458.518 2.082 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(F)(F)C(F)(F)C(=O)O)C2 1800712335 HIJMAHZXSWEWFF-ILWJIGKKSA-N 468.787 2.358 10 20 JECD CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1801934136 FKUDULIKCWAPKI-YIQGALHWSA-N 486.569 2.392 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C13CCC(CC1)CC3)C2 1802082425 KXFLRIFCJSVIAA-NXYJTUGNSA-N 456.539 2.377 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)[C@@H]1CCCCO1 1802588866 CZKBIOCNUNJOJS-APTRMMRNSA-N 475.549 2.449 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1804282774 CLPSEKYJFJIYPZ-ZHHJQZSXSA-N 472.538 2.434 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)cn2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468127 ONVRHCRQZCTNMQ-MHECFPHRSA-N 484.516 2.295 10 20 JECD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)no1 1808469332 LROQWXMBXDDNND-DFBJGRDBSA-N 486.532 2.419 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2CCCCC2=O)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811809145 GXBWYMJBXUSIOX-ZHRRBRCNSA-N 486.956 2.478 10 20 JECD Cc1ccc(C(=O)C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1812966647 PSIUBTZECJNURR-WIYYLYMNSA-N 496.614 2.139 10 20 JECD Cc1nn(C)c(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)c1F 1814162316 IJWWIYROURVDCG-SAWCTTBHSA-N 495.511 2.412 10 20 JECD COC(=O)[C@@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)C1 1814860491 ACMOSVYIAMNMBW-WOSRLPQWSA-N 457.487 2.111 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1822193613 PSYVXVCMKXGKKX-LCAJTWGOSA-N 488.504 2.432 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1824403981 ZESXPGIBOPHLQZ-MXFAVLBMSA-N 473.570 2.351 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714698 HKKWFVCEOHIBOT-AVRDEDQJSA-N 481.597 2.314 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCC3)CC2 1828199453 TXPOAKJQGFFVIT-GBVBUYCNSA-N 481.534 2.342 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899196 BDHBJYWKWSDJTO-OALUTQOASA-N 480.700 2.339 10 20 JECD O=C(c1ccc(Cl)nn1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902104 YOGRHCBPGLWIFK-HNNXBMFYSA-N 482.031 2.224 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@H](F)c3ccccc3)CC2)CC1)c1cc(O)nc(O)c1 1834986002 URWYGVVHXNMMTO-JOCHJYFZSA-N 456.518 2.389 10 20 JECD CCCC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1835822401 YQRLDMQYXHJLQJ-HNNXBMFYSA-N 495.020 2.241 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1839219546 LLYMYXAOASYWBO-GYCJOSAFSA-N 490.940 2.289 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)C(F)(F)C1 1843250543 KEQNWFXRKPWARA-HNNXBMFYSA-N 496.511 2.202 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC12CN(C(=O)C1(c3ccc(Cl)cc3)CC1)C2 1847055147 IGJIIFSVUZORKW-UHFFFAOYSA-N 464.012 2.435 10 20 JECD C[C@H](NNc1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O 1847274750 LGJZNRJTIWBEQA-ULLNYXGLSA-N 452.511 2.024 10 20 JECD O=C(COC(=O)c1ccc(Br)cn1)NCc1ccc(N2CCOCC2)c(F)c1 727551188 CVYAIHXQJOIGKH-UHFFFAOYSA-N 452.280 2.293 10 20 JECD C[C@H](Sc1nnc(CCC(N)=O)n1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 746242078 QFKINXRYJFOCCR-LBPRGKRZSA-N 463.519 2.128 10 20 JECD CN(C)c1ccc(CNC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1F 746722236 OWPQXLMCXKDQFR-SFHVURJKSA-N 464.563 2.348 10 20 JECD C[C@H]1CN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)C[C@@H](C)O1 747561607 QGVAXDJSIZIQCP-KDURUIRLSA-N 452.555 2.392 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)CC2)cc1 811637011 PDRHFFFBRMFQML-UHFFFAOYSA-N 495.985 2.105 10 20 JECD CC(=O)N1CCN(C(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)CC1 864672829 GMVGUBHJKWVINM-XNTDXEJSSA-N 468.398 2.341 10 20 JECD COc1ccc(-c2nnn(CC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)n2)cc1OC 917714772 OSYNEDMKZNTNGM-HZPDHXFCSA-N 484.532 2.426 10 20 JECD Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 917833549 ALHLMVGZLBXORY-MEGCXXLRSA-N 463.517 2.137 10 20 JECD COc1ccc(N2CCCN(C(=O)c3ccc4c(c3)S(=O)(=O)N(C[C@@H]3CCCO3)C4=O)CC2)cc1 918655831 IBSNATZEFUGSAD-NRFANRHFSA-N 499.589 2.371 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(S(C)(=O)=O)cc3)cc2F)C[C@H](C)O1 918820152 LPLXTCHJXCKOTH-HOTGVXAUSA-N 478.542 2.316 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccc(S(=O)(=O)N[C@H](C)CC)cc3)nc12 918970139 RZINBEGFCSAPHC-CYBMUJFWSA-N 476.511 2.045 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(=O)n(-c4ccccc4)n3)cc2F)C[C@@H](C)O1 919077168 CUIWIJKUYZNEER-QZTJIDSGSA-N 494.523 2.458 10 20 JECD CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 919793278 BIDCVZXDIQSNRB-XLIONFOSSA-N 479.581 2.172 10 20 JECD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 920890203 NOWTUHJQSBEBEW-KRWDZBQOSA-N 459.568 2.272 10 20 JECD CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 920926962 SZWDCSDKTSXZSE-QGZVFWFLSA-N 474.583 2.026 10 20 JECD Cc1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c(C(F)(F)F)o1 1777848304 OSTALTWOQLVDMQ-ZUOKHONESA-N 484.431 2.249 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)nc1)C2)c1cc(O)c(O)c(Cl)c1 1781121921 FJWMUQXEVCMHNL-VGOFRKELSA-N 461.902 2.293 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1782007111 KDGRGPMTUYXIAQ-HXUWFJFHSA-N 453.829 2.182 10 20 JECD COc1cccc2[nH]cc(C(=O)N3CC[C@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)c12 1782378729 ASGXHHLFRRQEEI-AQBQYSGMSA-N 493.516 2.450 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccoc3cn1)CCO2 1785510294 UBIKFDBNPACICT-JWZSXRADSA-N 465.462 2.102 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)ccc3OC(F)(F)F)C[C@@H]21)c1cc(O)nc(O)c1 1787295461 VYZIMIPEKGYKEF-KCTSRDHCSA-N 499.417 2.438 10 20 JECD Cc1noc(-c2ccccc2)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1787536566 OUJZPZGQWBLIHX-WDSOQIARSA-N 478.505 2.363 10 20 JECD CS(=O)(=O)Cc1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2 1794723617 CGWWBTCNQDCMGQ-QDMKHBRRSA-N 493.969 2.256 10 20 JECD Cc1ccc(S/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)cc1 1797703032 JJSYGEDUHGYLJR-PHFADZCDSA-N 455.536 2.310 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ncc(F)cc2F)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994377 VVQUWGRJVAGFBC-ZUOKHONESA-N 455.421 2.194 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1noc2c1CCCC2 1808031243 OBTQEZCBODFLEV-QVKFZJNVSA-N 499.618 2.128 10 20 JECD C/C(=C/C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)C(=O)O 1814098728 FRJYRVDCZDINAT-ZJWQKRDRSA-N 459.886 2.497 10 20 JECD O=C(COCc1ccccc1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1814514750 WENDWUZQSLMQRI-HNNXBMFYSA-N 454.508 2.392 10 20 JECD N[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1ccccn1 1817332521 DSHGRNJKKCTBPG-NFBKMPQASA-N 486.536 2.290 10 20 JECD Cc1noc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)n1 1817566575 VKCZAEBLIJCMDS-SFHVURJKSA-N 476.497 2.129 10 20 JECD COc1nccnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145970 OYEFALRZJFFXRN-SFHVURJKSA-N 488.508 2.307 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccncc1F 1818398437 IQLZTJVNGZOPIH-AWEZNQCLSA-N 462.532 2.110 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1nc(O)n2c1CCCC2 1819629934 TUZOZPZOQBWNOJ-CQSZACIVSA-N 467.486 2.074 10 20 JECD O=C(c1[nH]nc2ncccc12)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827426040 IBFVTPUCDLMVGS-KRWDZBQOSA-N 450.499 2.311 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccoc1Cl)CC2 1828247591 ZQAXRDNTEPVMLI-QMMMGPOBSA-N 470.985 2.476 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cc3cn[nH]c3cn2)CC1 1828756494 RFQMLAOJWPDQME-GOSISDBHSA-N 486.623 2.052 10 20 JECD Cc1n[nH]cc1C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838110467 MBPDRPQNXZVUBV-UHFFFAOYSA-N 478.553 2.123 10 20 JECD Cc1ocnc1C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838495480 XYPOEUCDDQAFCP-HWKANZROSA-N 471.510 2.425 10 20 JECD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(F)c1 1839432938 ALMAYLSRYWANRI-QHCPKHFHSA-N 494.903 2.283 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)c2ccc[nH]2)C1 1844407431 DIIROCPCVWYGHM-SFHVURJKSA-N 484.553 2.379 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1 9919409 CSDDWFQIJUYLCP-UHFFFAOYSA-N 450.539 2.010 10 20 JECD CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 15692423 WFLYUWLHDAXOHC-LLVKDONJSA-N 453.407 2.150 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c1 729064498 SJIQJYIOCVRWPL-OPAMFIHVSA-N 467.522 2.385 10 20 JECD C[C@H](NCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1cccnc1 781174579 GCROVNAUNHJWRV-FVOVHSBVSA-N 470.576 2.479 10 20 JECD Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)c(C)n1-c1ccccn1 917101767 AHNGDQKFDCHQDP-UHFFFAOYSA-N 468.535 2.334 10 20 JECD CC(C)[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)N1C(=O)c2ccccc2C1=O 917832540 ACYNMDUZEJVUQL-PGRDOPGGSA-N 462.550 2.325 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 918306208 WPBWKUHZDWATMO-UHFFFAOYSA-N 451.571 2.047 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1 918429594 LMVHWXCFTVRBHW-UHFFFAOYSA-N 462.572 2.047 10 20 JECD CC(=O)NC1(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCCCC1 920534248 JPDXJHFFPSDPNL-CALCHBBNSA-N 463.550 2.438 10 20 JECD C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)O)o2)CC1)c1ccc(N2CCOCC2)cc1 920882446 RBPYZSKYUOQREL-INIZCTEOSA-N 491.566 2.093 10 20 JECD CCCCNc1ccc(S(=O)(=O)N(C)C)cc1N/C=C1\C(=O)NC(=S)N(CC(C)C)C1=O 920980304 IEJWVDKXWWQIPT-FOWTUZBSSA-N 481.644 2.344 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1ccc2ncccc2c1 1778460245 WJFBWUSQCTWEDT-NTKDMRAZSA-N 498.630 2.223 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cc(F)c3)C2)C1 1780815787 HSPNVIZFFVKKBH-XMMPIXPASA-N 468.460 2.201 10 20 JECD Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)c(F)c1 1780857892 SACAEKLAXRRBPN-VGOFRKELSA-N 479.599 2.122 10 20 JECD Cc1cnn([C@H](C)C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1782517338 KIDJEAHKVUBIBU-CYOFNOOJSA-N 484.553 2.097 10 20 JECD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785511819 UVVKZCWXMJBKMT-JVFRIABTSA-N 495.488 2.268 10 20 JECD COc1cccc(-c2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)c[nH]2)c1 1785564115 DWJKBYSXEHWLDR-BUKVSMQUSA-N 492.532 2.404 10 20 JECD COc1nc(C)ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790244296 YJYSTLLMYOEVJJ-AXHNFQJDSA-N 475.929 2.370 10 20 JECD COc1ccc([C@H]2C[C@@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1 1793523408 RVSIYQUYMFYVOL-DARIXABFSA-N 473.620 2.297 10 20 JECD Cc1nnc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)o1 1795791085 COXXUZQPPGCVBM-IRJINJETSA-N 463.538 2.231 10 20 JECD COC(=O)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)cn1 1797032484 DSRWDEBQBOFSAM-QDMKHBRRSA-N 459.886 2.498 10 20 JECD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)ccc1[N+](=O)[O-] 1801838496 XCDUAKHAAWWQEK-HBCWATKFSA-N 491.884 2.185 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccn3cncc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995187 DTSWJDMXEBFQJT-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD Cc1ccn2c(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)cnc2c1 1807998779 FUJNQZLASUWWFJ-UZUQRXQVSA-N 472.505 2.477 10 20 JECD Cc1ncoc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808468580 UPWZKHPLEWQQFG-XMSQKQJNSA-N 472.505 2.491 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cccc2c1OCC2 1809003866 NRIMHHSIOBWCBF-DYESRHJHSA-N 496.614 2.196 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@@H]2CCc3ccoc3C2)[C@@H]1c1cccnc1 1814185868 VQZLXQHQOYVRRR-TVTNDZMWSA-N 498.630 2.346 10 20 JECD COc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1O 1816720411 QVFAFFNPAWPRKD-ZDUSSCGKSA-N 470.507 2.132 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1817307965 IORNZNBTTNSSHQ-SKDRFNHKSA-N 466.947 2.300 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-n3cnnc3)cc2)[nH]n1)c1cc(O)nc(O)c1 1817844972 QZCKWLRIAQXNQR-GOSISDBHSA-N 474.481 2.416 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817845112 ZXUYEYCZVDMWNO-CXAGYDPISA-N 451.487 2.417 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1n[nH]c2ccccc12 1819070996 LEPCEAONDYQCSU-OAHLLOKOSA-N 483.579 2.452 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4ccccc34)sc2C1)c1cc(O)nc(O)c1 1819079736 WFADQMXIIKSEOZ-LLVKDONJSA-N 450.480 2.365 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccn2cncc2c1 1819161576 GONMTKBJNIRRNT-MRXNPFEDSA-N 483.579 2.224 10 20 JECD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1)n1cncn1 1823479397 KEORVQJTOXIZQI-PSYXSKQDSA-N 467.486 2.085 10 20 JECD O=C(c1ccc[n+]([O-])c1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877183 XKDDFFHQZLHSNX-FHVRUZERSA-N 467.522 2.384 10 20 JECD O=C(c1cnc(Cl)nc1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899610 KHKUDUKWIIJNSH-OAHLLOKOSA-N 482.031 2.224 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2cccc(O)n2)C1 1842449894 MMIVOVUJMLJOSU-HXUWFJFHSA-N 495.580 2.322 10 20 JECD COc1cc(CC(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)ccc1[N+](=O)[O-] 1843442377 GNTPFEIHIBVUEM-UHFFFAOYSA-N 491.504 2.142 10 20 JECD COc1ccc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c(F)c1 1843442633 XCJDMTQUPMZJIE-UHFFFAOYSA-N 450.470 2.444 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)cc3)CC2)cc1 747562426 TYNBXIWIVJYHBT-SFTDATJTSA-N 495.624 2.186 10 20 JECD C[C@@H](OC(=O)[C@]12CCC(=O)N1CCS2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 918006956 PQHKTTRXUSNALY-YEBMWUKDSA-N 464.499 2.398 10 20 JECD Cc1c(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cccc1-n1cnnn1 918278695 XNTVLOBVDFZXHW-UHFFFAOYSA-N 489.458 2.081 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(OC)c(OCC(=O)NC4CC4)c3)CC2)cc1 918461837 ONJOWJAVYJMCKR-UHFFFAOYSA-N 496.564 2.039 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3cccc(N4CCOC4=O)c3)cc2)C1 919654422 KIADAMAZAYNMJN-IBGZPJMESA-N 451.527 2.344 10 20 JECD CS(=O)(=O)c1ccc([C@@H](O)CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 920092298 QBGJQVOLZBKLFX-QHCPKHFHSA-N 485.585 2.169 10 20 JECD C[C@H]1CN(c2ccccc2NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 920195328 PZTRZOKBFXYBGR-OALUTQOASA-N 452.555 2.392 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(Cl)nc1F)C2)c1cc(O)nc(O)c1 1777849338 TXBQCYRQCDTSBX-SPLOXXLWSA-N 464.881 2.122 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127724 WGFUJKYIJYBAMJ-DCLXLUIPSA-N 470.595 2.189 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4cc(F)c(F)cc4[nH]3)C2)C1 1778401595 LMOPWPMOKMSKAH-QFIPXVFZSA-N 458.421 2.010 10 20 JECD CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C2)C1 1779001770 IWRWGEUNFVGXFS-CJAUYULYSA-N 491.585 2.164 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ncc(C(F)(F)F)cc3Cl)C2)C1 1779736728 JTTQVONYKXRBAG-IBGZPJMESA-N 486.834 2.317 10 20 JECD C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003550 UGICLRXOXZUXDZ-CMJOXMDJSA-N 474.945 2.200 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 1784158510 AYMHWXRCNJFWIB-SVKXURNBSA-N 473.476 2.168 10 20 JECD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1F 1785503829 RUQWTQQOEVGDHJ-BSBODGDASA-N 472.469 2.108 10 20 JECD CN(C)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790242018 GMKASAGVMYYRIN-RISOHXOYSA-N 474.945 2.119 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)C1CCC2(CC1)OCCO2 1790737534 MGMCXVWJGUDGFC-KNBMTAEXSA-N 494.972 2.278 10 20 JECD Cc1cc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3=NN(c4ccccc4)C(=O)C3)ccc2[nH]1 1796481167 QXSJTFQXIQNUMI-NXKWYNOOSA-N 485.544 2.472 10 20 JECD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1C 1798910758 MOMIMJLMKDTANN-IRJINJETSA-N 460.534 2.300 10 20 JECD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cn1 1799767581 ZAIKGODSZGFNOT-UPHUGPLXSA-N 459.930 2.291 10 20 JECD O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1800402881 PCASWDPQYGOREC-VTEUUUEMSA-N 493.875 2.244 10 20 JECD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O)c1ccccc1 1802082698 ZOEJWLQQGDLOIZ-FDWBTHDASA-N 452.507 2.210 10 20 JECD Cn1ccc2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CN3C(=O)CSC3=S)c21 1804333511 PNNFZPYWGNJMJG-MUJYYYPQSA-N 456.593 2.290 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1804357317 UENWNKZEHWIWEK-RRTFDBAASA-N 479.533 2.273 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc(O)cc1F 1811072355 BAFMSAUUXFSYBE-JLTOFOAXSA-N 488.566 2.106 10 20 JECD COc1cccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)c1 1813886007 XHJGNIUGKWLVMJ-AWEZNQCLSA-N 454.508 2.426 10 20 JECD CN(C)c1cccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1814190095 QIMXVQBJZPCPMC-AVRDEDQJSA-N 497.646 2.328 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccn2ccnc2c1 1819101024 HHXAMCVBBXABHO-HNNXBMFYSA-N 483.579 2.224 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)C1 1825978821 UIERLXFTOHUGBY-SCRDCRAPSA-N 474.539 2.155 10 20 JECD CC(C)(C)OC(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1831579834 LYJWMBXXNWTGDA-QGZVFWFLSA-N 462.547 2.251 10 20 JECD O=C([C@H]1CCCS1(=O)=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878449 PKJQUCWDNUKYEO-GFMPNFHCSA-N 492.594 2.014 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cn4c(Cl)cccc4n3)CC2)CC1)c1cc(O)nc(O)c1 1834987559 NKNOAKLKJMASKQ-UHFFFAOYSA-N 498.971 2.293 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)cc1)CCO2 1838959626 QLHAFVVCEANGAZ-RUZDIDTESA-N 496.951 2.203 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)s3)C2)C1 1839431918 WJIWMFMLUJZHBM-HXUWFJFHSA-N 470.906 2.336 10 20 JECD Cc1ccc(C(=O)NCC(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1847064917 VSGSQYUGNAXVLS-UHFFFAOYSA-N 457.914 2.307 10 20 JECD O=C(/C=C/c1ccc(Cn2ccnc2)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1848148295 ANZXNLVIUQCZHV-FBGCVXFKSA-N 459.506 2.266 10 20 JECD COC(=O)c1cn(CC(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc12 26683391 QKBBIAPFVGAUNC-UHFFFAOYSA-N 465.506 2.329 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cc2F)C[C@H](C)O1 726661402 OQADJSQWBNXFJA-GJZGRUSLSA-N 477.493 2.139 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 727946585 KOMZUUGTXWTABH-UHFFFAOYSA-N 490.560 2.156 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C[C@@H](C)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 729346961 JDFNJFISXDSXHP-GOSISDBHSA-N 463.575 2.325 10 20 JECD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc2O1 750362113 VTRAUKUOOOCGEO-XMMPIXPASA-N 494.592 2.238 10 20 JECD COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4F)C3=O)CC2)cc1 915667521 WQUIUJOBGPWHKI-QHCPKHFHSA-N 458.465 2.089 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 917383345 CDQHNVPEFSFJTR-UHFFFAOYSA-N 461.609 2.191 10 20 JECD C[C@@H]1NC(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)=NN(c2ccccc2)C1=O 918633029 ITPPTGQMCPUVMS-ZACQAIPSSA-N 453.518 2.394 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc4c(c3)NC(=O)CO4)cc2F)C[C@@H](C)O1 918891517 HNFZYXLERHTJKN-GASCZTMLSA-N 471.485 2.243 10 20 JECD O=C(COC(=O)c1cn(-c2ccc(Cl)cc2)nn1)NCc1ccc(N2CCOCC2)c(F)c1 919092774 WSXUIHWFXFJNJL-UHFFFAOYSA-N 473.892 2.370 10 20 JECD O=C(COC(=O)CNC(=O)OCC(F)(F)F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 919557870 FHSCDFJGUGMGQY-UHFFFAOYSA-N 464.352 2.232 10 20 JECD CC(=O)Nc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)ccc1C 1777852824 WVPAWEBUIAATLI-CJFMBICVSA-N 482.537 2.201 10 20 JECD Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(O)n1 1780139027 CYEMAUKQAQHTQI-QFQXNSOFSA-N 491.548 2.016 10 20 JECD O=C(Cc1cnc2ccccn12)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003110 BQQAVMKXBSAJSP-HSZRJFAPSA-N 470.913 2.085 10 20 JECD C[C@@H](Sc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1784358310 IUZWQYMEMDISNY-FZCLSBEQSA-N 493.676 2.007 10 20 JECD CC(C)N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)C(C)C 1786963425 WCCWLEMCIXEKNW-JKTDJZPLSA-N 467.994 2.367 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c(C)n1C 1789120096 VPNJAANXSMRWOB-HARLFGEKSA-N 477.565 2.028 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1c(Cl)ccc(Cl)c1O 1790218513 YOPVGZSVVBHEGU-WBIUFABUSA-N 482.320 2.412 10 20 JECD COc1ccc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)nn1 1792314880 CGXFDMQAUZVCRI-UHFFFAOYSA-N 471.564 2.093 10 20 JECD Cc1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(-n3c(C)ccc3C)cc2)no1 1799619813 DOJLXWHSGGRNAQ-IRJINJETSA-N 463.538 2.231 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ccoc13)C2 1802079803 YRCIGTCAIYVUBK-ZLSBKTEHSA-N 464.474 2.466 10 20 JECD COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1O 1802815671 BXGUZJYHCGWUKJ-MZNJEOGPSA-N 478.505 2.164 10 20 JECD O=C(CCc1cn[nH]c1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1804505636 DGVNOCZFZDVYHG-GDDGWZMTSA-N 477.521 2.274 10 20 JECD O=C(COc1ccccc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1806480936 VFZOGIJFYYZOBS-HTAPYJJXSA-N 484.603 2.027 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998664 DMNWIDZZZWBAHQ-VFNWGFHPSA-N 479.449 2.135 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)[C@H]1CC=CCC1 1808150604 GFUFREHDJVMWGF-VPWXQRGCSA-N 458.609 2.304 10 20 JECD Cc1c(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cnn1C 1808468094 OCYQGXUGGMVBIA-NTKDMRAZSA-N 485.548 2.236 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cnc3ccoc3c2)[C@H]1c1cccnc1 1814188990 IOSSFUKVGBBFSQ-VFNWGFHPSA-N 495.586 2.403 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@@H]1COc2ccccc2O1 1815674906 IUGUBYOYFUWYSO-QAPCUYQASA-N 465.466 2.362 10 20 JECD O=C(Cn1cc(Cl)cn1)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361964 CSZQCBTULWOBOW-CQSZACIVSA-N 497.968 2.398 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)n1 1817844207 TUAZLXQSXFHFGN-MRXNPFEDSA-N 465.470 2.189 10 20 JECD COC(=O)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cn1 1818223288 GEDGRPYJEXEQAB-MRXNPFEDSA-N 466.454 2.017 10 20 JECD C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821291625 WHAGNGYIQVTNNR-NHYWBVRUSA-N 484.962 2.461 10 20 JECD Cc1cc(/C=C/C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)no1 1823500247 XWVNFAADIVEXIR-NFAHFFEMSA-N 474.568 2.272 10 20 JECD N[C@@H](Cc1cscn1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823710853 MWWFCLPJLIVJAM-MFKMUULPSA-N 493.998 2.460 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3cccnc3n1)CCO2 1836832516 CJBIDJSPEFEBPW-DEOSSOPVSA-N 498.923 2.078 10 20 JECD CCO/C=C/C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838801118 XMVQQGZIZVCADE-WAKFUBCGSA-N 460.527 2.365 10 20 JECD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1)c1ccccn1 1838812949 FCMRUBPUDOITFT-MRXNPFEDSA-N 490.651 2.044 10 20 JECD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc(C)c1O 1839435101 DNGJILYDVMVLCC-XMMPIXPASA-N 490.940 2.457 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c(F)c1 1840881238 KEJYWPRLJQZABD-OGPASDKVSA-N 486.496 2.034 10 20 JECD Cc1nc[nH]c1C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251792 XEPPUBNMFDGENV-QGZVFWFLSA-N 499.568 2.082 10 20 JECD COc1ccc(N2CCC(NC(=O)N3CCN(CC(=O)N4CCCC[C@@H]4C)CC3)CC2)cc1 726714900 BAUMZQGUZHSKHO-FQEVSTJZSA-N 457.619 2.392 10 20 JECD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 729057157 UHPWRTQKGHRSBH-UHFFFAOYSA-N 488.635 2.278 10 20 JECD C[C@H]1CN(c2ccc(NC(=O)COC(=O)c3cc(NS(C)(=O)=O)ccc3O)cc2)C[C@@H](C)O1 747498620 CNKYQQYLPYQCNF-GASCZTMLSA-N 477.539 2.173 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 750323047 QMMBCDXUWZCGHD-UHFFFAOYSA-N 482.560 2.438 10 20 JECD CNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 811824502 BHWVVYOPWRBDSR-UHFFFAOYSA-N 492.509 2.474 10 20 JECD C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 915408318 HJWFLABBKFYSIQ-ZDUSSCGKSA-N 495.513 2.224 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(Cl)c(C(=O)O)c3)cc2)C1 917929335 DQWJSSFJNDYVBZ-AWEZNQCLSA-N 451.932 2.218 10 20 JECD O=C(Nc1ccccc1CN1CCOCC1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 919663902 VFHKCTHCGKULAC-NRFANRHFSA-N 453.539 2.371 10 20 JECD C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 920636607 DHMXVZLYYIDMSO-HCVBEMKVSA-N 479.555 2.104 10 20 JECD C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(N2CCOCC2)cc1 920879131 HTGNTJJBPJJOTO-SFHVURJKSA-N 459.568 2.035 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)C4CCCCC4)CC3)cc2)C1 921243333 VEYWCQWUBYBJNX-NRFANRHFSA-N 455.603 2.322 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3cccnc13)C2)c1cc(O)nc(O)c1 1777848036 HPFXGSQHLPARMD-KBMIEXCESA-N 462.506 2.482 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc(Cl)ncn1 1779897390 FHRTXIHWZYUGOX-NTKDMRAZSA-N 496.955 2.050 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CS(C)(=O)=O)C3)cc1 1780987871 JKVQYHDTKVRADD-RCZVLFRGSA-N 487.622 2.266 10 20 JECD CC(=O)N(C)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781751002 OHYGETXPZXURGM-AREMUKBSSA-N 466.582 2.406 10 20 JECD Cc1nc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cs1 1782004333 VMWWDACJXXWBLM-HXUWFJFHSA-N 451.932 2.202 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1)C2 1783245843 HWKBWMKTLCAYHM-NRAIQUKZSA-N 487.647 2.164 10 20 JECD CC(=O)Nc1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1785099967 FGDVWCSWTUCNCB-QHCPKHFHSA-N 473.913 2.467 10 20 JECD CCc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1785651423 AZHYKIOWHCDIOC-NYDSKATKSA-N 475.549 2.030 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]3C2)cc1 1791286923 KESYMEOBGZHIOL-IQZMFCRQSA-N 497.592 2.303 10 20 JECD Cc1cnn([C@H](C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)c1 1791596834 IZSOLBKALUBYQT-DFHZNHDVSA-N 462.934 2.111 10 20 JECD CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(O)nc(O)c3)c2C1 1796599495 RJCBNAOFRVPLNL-QDMKHBRRSA-N 498.540 2.032 10 20 JECD COc1cc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1OC 1802079410 HUOCMAYJIZUIPS-FJQXNTCZSA-N 498.532 2.046 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCN1Cc1ccccc1)c1cc(O)nc(O)c1 1802674362 OVAQYLFWOAUTQI-WOZUAGRISA-N 450.539 2.409 10 20 JECD CC(C)NCCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1807329630 RMRKYRJQLCQGSE-RLVMRWSYSA-N 468.554 2.306 10 20 JECD O=C(Cc1cccs1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1807551760 YVSQHFWIBQBWHV-MGPUTAFESA-N 474.633 2.252 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3nccnc3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995279 FZHFGYYHGFLRQO-HXOBKFHXSA-N 470.489 2.464 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996404 RMNAWUGBRMSCBW-UZUQRXQVSA-N 476.489 2.292 10 20 JECD C[C@H](Cn1ccnc1)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808470909 ZVHXCQQLGNTYLE-QVNIBDNGSA-N 499.575 2.413 10 20 JECD Cc1noc(N)c1C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)C1 1809739502 RYRJLDAKDPEMGI-GQCTYLIASA-N 456.499 2.240 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ncc(F)cc1F 1815449508 LKOHSCSEZTZWRP-ZDUSSCGKSA-N 480.522 2.249 10 20 JECD Cn1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)cn1 1818146461 JGUJCDHMZKBDGM-IBGZPJMESA-N 460.498 2.242 10 20 JECD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1)n1ccnn1 1818147924 PSFWGRXMNQIQLD-BEFAXECRSA-N 475.513 2.047 10 20 JECD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)N1CCN(C)CC1 1820789918 QNPLYQTYSVKXCL-KBXCAEBGSA-N 490.992 2.416 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc[nH]n2)CC1 1831197077 IADRMJUATWYEJK-WSSFADSRSA-N 454.527 2.402 10 20 JECD O=C(c1ncc(Cl)cn1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896775 PFTGWQXPGNNNEA-HNNXBMFYSA-N 482.031 2.224 10 20 JECD Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)nc1 1834265736 ZVTUAYHRJSNUIB-QPJJXVBHSA-N 480.565 2.405 10 20 JECD COc1ccc(OCC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1836598370 DKXLLEOPBIUCNJ-UHFFFAOYSA-N 485.537 2.193 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)CCc2ncc[nH]2)C1 1846514356 PUZMWNJCQMPWFQ-HXUWFJFHSA-N 496.612 2.264 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cccc(OCCN2CCOCC2)c1 725866268 PNCMNIJRVZEPRP-UHFFFAOYSA-N 454.571 2.234 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 728979887 PTGLTXKJXGJFHS-GOSISDBHSA-N 489.594 2.200 10 20 JECD O=C(COC(=O)c1sccc1S(=O)(=O)C(F)F)NCc1ccc(N2CCOCC2)c(F)c1 731093598 KYQMWQOQAHOACZ-UHFFFAOYSA-N 492.497 2.193 10 20 JECD COc1ccc(N2CCN(CCNC(=O)/C(=C\c3ccc(F)cc3)n3nnnc3C)CC2)cc1 742921581 UGKCOTYTILTCFT-HAVVHWLPSA-N 465.533 2.066 10 20 JECD CC(C)N1CC[C@H](CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 743310908 WDDXQYLCPCIIOW-HXUWFJFHSA-N 455.582 2.472 10 20 JECD COC(=O)CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 747560607 OHEYSEJQSJTINB-KRWDZBQOSA-N 455.511 2.281 10 20 JECD O=C(NCCCOC[C@@H]1CCCO1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 914431932 LPINCXUXJSYKCJ-KRWDZBQOSA-N 479.511 2.417 10 20 JECD CCNC(=O)CN1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 914453629 MRAVOLKEZHHAOE-SSZFMOIBSA-N 466.654 2.010 10 20 JECD O=[N+]([O-])c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)c(S(=O)(=O)N2CCOCC2)c1 917085335 IQRPQFQCPAHHLM-UHFFFAOYSA-N 490.582 2.437 10 20 JECD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCc1ccc(N2CCSCC2)cc1 917387072 QTYFQAMFXLDTCV-UHFFFAOYSA-N 452.584 2.247 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 918443102 SWECSLYKJSYVGK-UHFFFAOYSA-N 480.609 2.025 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)cc1 919957393 KVSIWEVVTRGDDV-UHFFFAOYSA-N 483.387 2.025 10 20 JECD CCOc1ccc(NC(=O)CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 920344131 MFVGGSHYYSSDOA-SFHVURJKSA-N 453.543 2.225 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc2ncnn2c1 1779170432 GKEDUXBXJKRWCP-WZONZLPQSA-N 485.928 2.235 10 20 JECD CCc1noc(C)c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1779777740 XVFDUVRWCCDXNS-QFQXNSOFSA-N 493.564 2.466 10 20 JECD Cc1cnn([C@@H](C)C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1782517339 KIDJEAHKVUBIBU-UVUBVZBNSA-N 484.553 2.097 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)s1 1783245144 DOFSBNOYWMKMIZ-VGOFRKELSA-N 495.692 2.363 10 20 JECD Cc1ncc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)s1 1784438996 WLIGOQWGRVDRLV-FQEVSTJZSA-N 451.932 2.202 10 20 JECD CCOc1ccsc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785504943 GSGQZMNFEMMWJO-DOHLAZSCSA-N 474.535 2.421 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccccc1F)CCO2 1785509649 ZOGXNGWMRRONSO-HLZSCNFSSA-N 456.470 2.028 10 20 JECD O=C(Cc1cccc(C(F)(F)F)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1790760409 YAKGYXVSCWCOID-WBAXXEDZSA-N 479.455 2.348 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(N3CCCC3)ccn1)C2)c1cc(O)c(O)c(Cl)c1 1799768445 NLVZTTOLIFXVFH-VPTLXERWSA-N 486.956 2.263 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)C(=O)c1ccco1 1804331798 LHTNUILPBRHNHN-SAWCTTBHSA-N 477.473 2.394 10 20 JECD C[C@](O)(C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)C1)C(F)(F)F 1806484291 CZVWDQWIYYYRPI-XXIDSNJLSA-N 472.460 2.361 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)Cc3ncccn3)C2)CC1 1807237195 IQQWIJKWSGTSMF-GQCTYLIASA-N 452.511 2.081 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cnnc2ccccc12 1809134320 ZAXAHYADIBOEPB-MWTRTKDXSA-N 470.489 2.464 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@@H](CNC(=O)C2(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1809636689 MWWLYUWLGSXPQQ-BBRMVZONSA-N 486.541 2.290 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2ncncc2c1 1809916814 KKMWFTDERZKPLO-UZUQRXQVSA-N 470.489 2.464 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CNc3ccccc31)CC2)c1cc(O)nc(O)c1 1816722862 ZXYHGJQAADYTBU-OCCSQVGLSA-N 451.508 2.384 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)COc2ccc(O)nn2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821295022 WGIHWIXSCOLSBY-CQSZACIVSA-N 488.888 2.355 10 20 JECD O=C(Cc1ccc2c(c1)CCO2)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822135559 FBEUDDBVUHSAJD-KRWDZBQOSA-N 499.618 2.440 10 20 JECD Cc1ccc(CCC(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cn1 1828240460 VJSQFDYYAHFGEO-AWEZNQCLSA-N 489.648 2.252 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccc3nncn3c2)CC1 1828642363 KSRJBRKMRSKRCA-GOSISDBHSA-N 450.499 2.083 10 20 JECD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)n1ccnn1 1831173220 IQRUREBVMDLPLT-XMSQKQJNSA-N 477.569 2.252 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)CC1)c1cc(O)nc(O)c1 1834988005 HSSOKRJUWTYREZ-UHFFFAOYSA-N 493.486 2.406 10 20 JECD O=C(C[C@H]1CNc2ccccc2O1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441881 SVQMANMUJYUACO-IBGZPJMESA-N 473.533 2.246 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)C2CCN(c3ccc(F)cn3)CC2)C1 1845830834 NFAAZURDFIKIKR-XVNBXDOJSA-N 496.539 2.471 10 20 JECD COc1c([N+](=O)[O-])cc(N2CCN(c3ncnc4c3cnn4C)CC2)c([N+](=O)[O-])c1Br 23618935 ZYWTVXBYFRXKQI-UHFFFAOYSA-N 493.278 2.277 10 20 JECD O=S(=O)(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccc2c1OCCO2 725826890 GWFTVLUQCFFYSD-UHFFFAOYSA-N 485.541 2.192 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@@H](CNC(=O)C(C)C)C3)CC2)cc1 726234845 ZXDZOBHJYWKWFN-NRFANRHFSA-N 459.635 2.401 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCCCc3nnc4n3CCCCC4)CC2)cc1 727602467 QOQDYBKOSFQRED-UHFFFAOYSA-N 455.607 2.067 10 20 JECD C[C@H](c1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c1)N1CCOCC1 729786492 IYOTUYHQKJSVRH-LJQANCHMSA-N 452.555 2.171 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3ccc(F)c(S(=O)(=O)NC(C)(C)C)c3)CC2)cc1 742920381 JEBHCPDMFHJKTD-UHFFFAOYSA-N 492.617 2.463 10 20 JECD CC(C)[C@H](OC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C(=O)NC(N)=O 913359669 ANLRMDAHAYJMHC-UQTJOTSZSA-N 455.583 2.492 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NC[C@H](c3ccc(C)o3)N3CCOCC3)CC2)cc1 916233967 RZSSSCIPZPYEBJ-HSZRJFAPSA-N 471.602 2.091 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CSCc3cc(=O)n4ccsc4n3)cc2)C1 917835044 YBWGHTRQDZDZNT-INIZCTEOSA-N 471.608 2.007 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N[C@H](CN3CCOCC3)c3ccccc3)cc2)C1 918118877 VSBRQOXISOUEHA-LADGPHEKSA-N 465.598 2.261 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3cc(S(C)(=O)=O)ccc3F)cc2F)C[C@@H](C)O1 919623039 ZNHJFXNTNYBERF-HUUCEWRRSA-N 496.532 2.455 10 20 JECD CC(C)[C@H](NC(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc2c(c1)OCCO2 920638315 VHNBSZOIZYUACR-NRFANRHFSA-N 478.523 2.205 10 20 JECD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCN(C(=O)N2CCOCC2)CC1 1319998720 GFLHXVUICCMTFO-ICFOKQHNSA-N 494.664 2.326 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCc3ccccc3NS(C)(=O)=O)CC2)cc1 1321705831 CTXHMTJGQBICCS-UHFFFAOYSA-N 475.615 2.078 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cc2ccsc2[nH]1 1781269128 XRTJEMZKAJHHTF-OPAMFIHVSA-N 456.524 2.477 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781751313 GTDQDNGDUMLFOM-RXFWQSSRSA-N 466.582 2.452 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1781838134 DMADWNMAMZHPMA-HSZRJFAPSA-N 483.912 2.089 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1csc(C(F)(F)F)n1)CCO2 1785506670 CYDCUDKQAFHKBO-ZFDYTMOGSA-N 499.467 2.436 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)cc1)CCO2 1785510330 WCYUKNYCQDTOMM-AWQUAADZSA-N 490.516 2.146 10 20 JECD Cc1cnc(Cl)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1 1786256770 YWPJZLZQQBHNOS-LRQRDZAKSA-N 495.967 2.430 10 20 JECD COc1ccc(OC)c(CCCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)c1 1787295283 BWOQMJGFZRILCD-XJABCFGWSA-N 499.564 2.126 10 20 JECD CC(C)(C)OC(=O)NCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)CC1 1792629560 ZELNUOOOKUEDFA-MUJYYYPQSA-N 460.531 2.050 10 20 JECD COc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1795128909 KCGHGVQUXOWKGU-PQQRLYDOSA-N 482.533 2.048 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]cnc3n2)cc1 1796185927 GVKAEPKIPMXTJF-NUZGMZIFSA-N 485.548 2.391 10 20 JECD COc1ccc(Cl)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1799021885 JQXFIXALOSNEIL-GCZWLPJRSA-N 488.924 2.382 10 20 JECD COC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)cn1 1800714756 BEBRXKRCKLJLIV-QDMKHBRRSA-N 459.886 2.498 10 20 JECD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(F)c1F 1801742771 MKLGMCPNTUCACM-RSQQPWMTSA-N 482.487 2.269 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccc(Br)cc1O 1804336133 YBMQFSCAELYXBQ-CLLJXQQHSA-N 498.424 2.267 10 20 JECD CNc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1807089308 IECSFKXBHAEWCJ-UTKZUKDTSA-N 483.619 2.303 10 20 JECD C[C@]1(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)CCCN1 1808098959 AXJOLNCHWHELBT-RRYMHUEMSA-N 466.538 2.060 10 20 JECD CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1808774027 PVCVBQRGISGJHN-CFLQYTFWSA-N 472.929 2.087 10 20 JECD C[C@H](Cn1ccnc1)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814165083 BUVSXFVPIVZUKU-ZHGLZYCTSA-N 491.548 2.450 10 20 JECD Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1817599828 ZYUNCAMNTCKVLM-LBPRGKRZSA-N 481.563 2.322 10 20 JECD O=C1CCc2ccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)nc2N1 1817845081 XPMMHORMGZBLGW-MRXNPFEDSA-N 477.481 2.115 10 20 JECD CC(=O)NCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145700 FJWIDICUWQLJIM-HXUWFJFHSA-N 493.568 2.357 10 20 JECD COc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)nn1 1820038806 CQCKGQHEJWWKHI-LJQANCHMSA-N 488.508 2.307 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(O)no3)sc2C1)c1cc(O)c(O)c(Cl)c1 1820718880 GIPDRVLKTUUKRQ-MRVPVSSYSA-N 450.860 2.441 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1cc(O)cc([N+](=O)[O-])c1 1823644080 ZLOOHFDYNDIJML-LLVKDONJSA-N 471.451 2.103 10 20 JECD CC(C)O[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901161 PXYGBAMOTZPSCD-RDJZCZTQSA-N 455.646 2.280 10 20 JECD CC(=O)O[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)C(C)C 1832901940 GVFMMDIYWIHIOG-XLIONFOSSA-N 483.656 2.054 10 20 JECD O=C(CCc1ccc2c(c1)OCO2)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1834542269 AFIBXHBMWWXQNS-UHFFFAOYSA-N 496.564 2.040 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348418 AEFWVFMDUGVNDK-SQHAQQRYSA-N 496.608 2.079 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)Cc2c[nH]c3ncc(Br)cc23)C1 1841082737 AKFLIDIODXYFPI-UHFFFAOYSA-N 486.326 2.191 10 20 JECD O=C(Cc1cccc(OC(F)(F)F)c1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250884 YSRILHWUYUFNMO-UHFFFAOYSA-N 451.401 2.451 10 20 JECD COC[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251509 DHVSPHFDVVRXCA-FUHWJXTLSA-N 491.585 2.020 10 20 JECD COc1cc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)cc(C(F)(F)F)c1 1845563200 KOZAOMDIGLXHTF-UHFFFAOYSA-N 487.525 2.391 10 20 JECD O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1848184484 YWGMUQBNXHFYGA-IRXDYDNUSA-N 467.457 2.130 10 20 JECD C[C@@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 14077118 NOZTZKRSUVZREQ-OLZOCXBDSA-N 489.933 2.306 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H](C(C)C)S(=O)(=O)C3CCCCC3)nc12 728648199 RWRYSEVWBYIIEX-GOSISDBHSA-N 467.544 2.427 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)c1 728981535 CGNFOUCTYWVTBT-CZUORRHYSA-N 460.508 2.215 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)C[C@@H](C)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 729136888 ZRNVVGPJEFRUOF-QGZVFWFLSA-N 478.542 2.279 10 20 JECD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)cc2)cc1 731030633 SUUGKMGVALHFJW-UHFFFAOYSA-N 481.577 2.244 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(N4CCSCC4)c(C)c3)CC2)cc1 750361411 LRGRANLTMOLWEF-UHFFFAOYSA-N 497.665 2.434 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NC3CCN(C(=O)c4ccco4)CC3)CC2)cc1 916196365 CJZIULCUAHEIOX-UHFFFAOYSA-N 469.586 2.404 10 20 JECD O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)NCCc1ccc(O)c(O)c1 917355493 GDNMRTKNJWCWNH-UHFFFAOYSA-N 452.838 2.407 10 20 JECD COc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1[C@]1(C)NC(=O)NC1=O 917926792 JKIGAOXOEJNCFB-QHCPKHFHSA-N 472.567 2.169 10 20 JECD Cc1ccc(S(=O)(=O)N2CCC(NC(=O)NCc3ccc(N4CCOCC4)cc3)CC2)cc1 919790691 YBVUORHUCPWXDD-UHFFFAOYSA-N 472.611 2.484 10 20 JECD CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 919878793 YLUQAOXWEBTKHL-UHFFFAOYSA-N 471.988 2.077 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc2n(n1)CCC2 1779122063 PZLJVZCCMYFLSI-AUSIDOKSSA-N 474.945 2.335 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3ccc(F)c(F)c3)C2)C1 1780835318 XOUAUPIIZCYKDW-YVRWJWEHSA-N 460.433 2.239 10 20 JECD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1781835906 QYKKOFDNROWVPD-SJPYXHTESA-N 479.668 2.187 10 20 JECD Cc1ncc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)s1 1783222377 RHSZZWHASHGEDD-RNJIHJBZSA-N 473.551 2.409 10 20 JECD O=C(/C=C/c1ccc(F)cc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1784865023 YZMLXHUQJJMPHJ-KZDRFYRXSA-N 459.449 2.078 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3cnn4ccncc34)cc2)CCC1 1789068710 WVGOBZYOWOVKIM-UHFFFAOYSA-N 480.575 2.337 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cccc(-c2cnco2)c1 1790145289 PHSPZWXXDBLIOX-QRFRQXIXSA-N 464.478 2.055 10 20 JECD COc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1 1792218226 MOXJXXFLFNUISF-GRRCIFBWSA-N 468.506 2.119 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CC(O)C1)C2 1796750216 RDLZUVITIUOMCI-YKOHZIBZSA-N 486.613 2.114 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1[C@H]2Sc3ccccc3[C@H]21 1797768207 HGJMWWKFMPVTPY-BJFZQBLGSA-N 494.569 2.294 10 20 JECD Cc1cc(Br)sc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1798700708 QCPZDGVVODCYEY-DRXBFXEBSA-N 482.356 2.142 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccn(C(F)F)n1)C1=NN(c2ccccc2)C(=O)C1 1798841530 NBZNCWBJXWYBBT-RBVVOMGSSA-N 456.453 2.323 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(Cl)ccc1F)C2)c1cc(O)c(O)c(Cl)c1 1799767258 HLCQYFZPIGJOOT-CULMDFNYSA-N 470.284 2.456 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1C(F)(F)F)C2 1802080374 WHFJHXWXJRXRMB-IEEJQYOHSA-N 493.438 2.134 10 20 JECD C[C@H](NNc1ccccc1)C(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1804876818 GOFQRHGRIJZASX-KRWDZBQOSA-N 453.543 2.343 10 20 JECD Cc1nc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)co1 1805690460 GWRMUAYEMXWZOP-JPYJTQIMSA-N 472.505 2.491 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811805567 AYJPTSOQEXEKJC-WAWZGNHOSA-N 472.929 2.157 10 20 JECD O=C(O)CSCC(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811808417 AKQXCJPPFPIPFE-YJYMSZOUSA-N 479.942 2.284 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc2ncccc2[nH]1 1812077213 RVBVEILBZOSNIQ-QRQCRPRQSA-N 458.478 2.398 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cocn2)[C@H]1c1cccnc1 1814162863 SLHHJDJRCPSILQ-PEOKUMBASA-N 450.451 2.219 10 20 JECD O=C(CCN1CCOC1=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823711072 UDTXDNMZAIBVEQ-LLVKDONJSA-N 480.930 2.276 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)Cc2cnccn2)CC1 1824307867 RRNUJSRJVHFLON-ZEZYUPADSA-N 466.538 2.469 10 20 JECD CCC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1828128361 ZZEBVASFTGSRLQ-QAPCUYQASA-N 496.593 2.153 10 20 JECD Cn1cccc1C(=O)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828199732 FNTJWJGCFMFEAR-NEXMIYJRSA-N 482.518 2.107 10 20 JECD CC(C)NCCC(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837909010 GRZBGFCOTCANTB-UHFFFAOYSA-N 483.613 2.166 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)[C@H]3CC=CCC3)CC2)CC1 1838634901 KXEXAWRBFMJUPY-INIZCTEOSA-N 465.641 2.202 10 20 JECD COC[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843330861 QILNMLQCYORWCM-FXAWDEMLSA-N 474.602 2.191 10 20 JECD Cn1ncc2cc(C(=O)N3CCCC34CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)ccc21 1843797035 OCWVQWFKEMHLNB-UHFFFAOYSA-N 456.506 2.183 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ccc(-c3ccc(O)nn3)cc2)C1 1845549969 UMRMMEBPYNAOIE-UHFFFAOYSA-N 496.527 2.459 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 1845919974 SKXRFMFGFXRIGA-QPJJXVBHSA-N 471.441 2.310 10 20 JECD Cc1nn(C)c(Cl)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 14364879 OUTTVEVHLCTBSE-UHFFFAOYSA-N 464.931 2.477 10 20 JECD COc1cccc(C(=O)NCC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 25019867 LGONLCRIDPCTSF-UHFFFAOYSA-N 472.453 2.382 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 726529263 VPNAVZQJJUKRKK-XMMPIXPASA-N 495.580 2.455 10 20 JECD NS(=O)(=O)c1ccc(CN2C(=O)/C(=C/c3ccc(-n4cncn4)c(F)c3)SC2=S)cc1 726627842 RQGLMIFQHKHLIQ-IUXPMGMMSA-N 475.552 2.455 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 729065215 ADFZASVFVDTOGP-AWEZNQCLSA-N 479.555 2.256 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H](c1ccccc1)N1CCSCC1 746837261 XSFKLXPPBYPHEU-JOCHJYFZSA-N 459.637 2.328 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3cc(S(=O)(=O)NC(C)C)ccc3F)CC2)cc1 914718898 GPXSNWRUHHGBDP-UHFFFAOYSA-N 492.617 2.463 10 20 JECD CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC(=O)Nc1ccc(NC(C)=O)cc1 917001547 YQJCJLKIUNAJGR-UHFFFAOYSA-N 485.560 2.198 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4F)C3)cc2)C1 917834636 LYMJTKCRIZJPSG-DLBZAZTESA-N 456.493 2.336 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 918284834 RAAQBOQTXRWUBV-UHFFFAOYSA-N 499.568 2.364 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 918305813 LVBRJPPZCMWYMH-UHFFFAOYSA-N 458.522 2.207 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)cc1 918434333 LMHAXMRIGHEFNH-UHFFFAOYSA-N 462.547 2.467 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3cccs3)cc2F)C[C@H](C)O1 918870249 ACNKFFPFKFQIEP-GJZGRUSLSA-N 463.531 2.090 10 20 JECD C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 919045798 KVQSLGXWEOYDTH-KRWDZBQOSA-N 467.497 2.337 10 20 JECD Cc1ccc2ncc(C(=O)OCC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c(=O)n2c1 919059021 CHYPANPLMAVYDY-IAGOWNOFSA-N 482.512 2.229 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 919767068 AISJUFBISLIRJU-UHFFFAOYSA-N 479.002 2.289 10 20 JECD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 920023117 CXJXBODLDBWXLC-ZJZKVMBWSA-N 480.540 2.082 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(/C=C\C(=O)OC)cc(OC)c2OC)cc1 921019553 GLSYWNVKTNWTDE-WDZFZDKYSA-N 484.552 2.452 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc3ccccc13)C2)c1cc(O)nc(O)c1 1777848556 ZGJBJDATBFQFIC-KBMIEXCESA-N 478.505 2.188 10 20 JECD Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)n1 1778126188 KMILDWIFBPLUHY-ATIYNZHBSA-N 475.549 2.310 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3cccc4cnccc34)C2)C1 1778606578 AHTWQPHRQSYGTP-MHZLTWQESA-N 483.528 2.471 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)CC(N)=O)CCO3)cc1 1781750398 GGEYUKXJNJFTEE-GKVSMKOHSA-N 452.555 2.049 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1sccc1Cl)C2 1783248238 VXLMLDXEJFKSAK-BFUOFWGJSA-N 488.056 2.389 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cn2cc(F)ccc2n1 1788345903 GWVCEPRVSJAPBZ-ODYMNIRHSA-N 488.903 2.445 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccccc1C(F)(F)F 1789493501 RDCXSDZQZYVKRC-NUTKFTJISA-N 465.428 2.419 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)nn1)C1=NN(c2ccccc2)C(=O)C1 1798715492 XHHDYHUSEBXYHE-RBVVOMGSSA-N 452.902 2.175 10 20 JECD O=C(CCc1cncnc1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1807499800 KIGBLPFWWMANRM-HFZDXXHNSA-N 497.559 2.303 10 20 JECD COC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811799818 ZFGINDQOBGVTFO-VLIAUNLRSA-N 461.902 2.419 10 20 JECD O=C(Cc1ccc(O)cn1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813501182 WBFKEEYMAXEGBK-SIBVEZHUSA-N 498.543 2.224 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)COc2cccnc2)[C@@H]1c1cccnc1 1814161529 HOOCGJWXSLTKBD-YGFSBTMISA-N 490.516 2.392 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cnccn2)[C@H]1c1cccnc1 1814162289 IEGVULAXDPOANK-VYHZTRRPSA-N 461.478 2.021 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3nc[nH]c13)CC2)c1cc(O)nc(O)c1 1816726225 SWHOHCRSGXVMNC-LLVKDONJSA-N 450.480 2.365 10 20 JECD CCc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)cc(C)n1 1817822230 KBAISCMAAFZGFW-CQSZACIVSA-N 489.648 2.495 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccc4ncoc4c3)sc2C1 1818535043 VHVSCPCNMBAVLF-NSHDSACASA-N 487.588 2.370 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cccc(-n2cncn2)c1 1821297909 FVJAMFDRAKBQCU-SFHVURJKSA-N 474.481 2.416 10 20 JECD Cc1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)c(=O)[nH]c1C 1823708323 RUTBJIFOCVUBEK-LLVKDONJSA-N 489.941 2.447 10 20 JECD O=C(Cc1cnccn1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708335 UALCJIPMJCSCNR-LLVKDONJSA-N 459.915 2.466 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2nccs2)CC1 1826115488 MAUHHMHIQSMBQX-CQSZACIVSA-N 452.627 2.237 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3nc[nH]c3c1)CC2 1828244396 FRYNDHLXWIKCSV-LLVKDONJSA-N 486.604 2.106 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)CCCn2ccnc2)CC1 1832158342 JJMCCKDAHPGWSL-GOSISDBHSA-N 477.656 2.143 10 20 JECD Cn1c(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)ccc1C(F)(F)F 1835246558 USEOVEXJPOBDDU-UHFFFAOYSA-N 495.502 2.349 10 20 JECD Cc1nc2ccncc2cc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1835531772 YKQTZYCWKFJMRS-UHFFFAOYSA-N 490.564 2.243 10 20 JECD CCSc1cccnc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1836212696 WHSFZAXQRFSWCQ-UHFFFAOYSA-N 485.610 2.499 10 20 JECD CC(C)N1CCC(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)CC1 1837062464 DHPNBBURJBTVRB-UHFFFAOYSA-N 474.602 2.225 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(F)(F)C3)C2)C1 1839432505 QNJMPGDUGFZXDR-ZUOKHONESA-N 474.888 2.257 10 20 JECD CC(C)=CCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881273 LOZNUXMLBJNLMY-RXVLNYDTSA-N 460.527 2.019 10 20 JECD CCSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250061 GSJLMKRJUYWWPM-MRXNPFEDSA-N 494.614 2.346 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 1843331281 FCBNGUFVBWOJTN-YSFYHYPLSA-N 498.624 2.476 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cc(Br)cnc2Cl)C1 1844409755 ICGHOKZFNGFZIF-UHFFFAOYSA-N 467.707 2.435 10 20 JECD O=C(c1ccc(-n2cnnc2)cc1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845500909 CWKYMJAIPSHQMB-UHFFFAOYSA-N 453.886 2.463 10 20 JECD CCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc(C(C)C)nc21 105865177 CZPPZIHYMKWKBK-UHFFFAOYSA-N 465.554 2.337 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(-n4cnnc4)cc3)cc2F)C[C@H](C)O1 727517762 VACBISBLXVVASM-IRXDYDNUSA-N 467.501 2.493 10 20 JECD NC(=O)[C@H]1CCCN(CCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 729505831 NETNVNUPMSAOCS-INIZCTEOSA-N 453.534 2.143 10 20 JECD Cc1ccc(C(=O)NCCNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1F 918006193 SKSJHUZXPNKSRK-IBGZPJMESA-N 455.534 2.065 10 20 JECD CCOC(=O)N1CCC(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 918840815 MXPCLQJJCNEUSH-IRXDYDNUSA-N 479.549 2.467 10 20 JECD O=C(CS(=O)(=O)c1cccc(Br)c1)NCc1ccc(N2CCOCC2)cc1 919863775 XEMBLAKSEHEMMH-UHFFFAOYSA-N 453.358 2.376 10 20 JECD COCCN1C(=O)/C(=C\Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)C(=O)NC1=S 920974781 SXOKBCJICCHYIC-QINSGFPZSA-N 494.982 2.326 10 20 JECD Cc1cnn([C@H](C)C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1 1778127650 UPRLCZOSTOCLJR-KCVHQNEMSA-N 492.580 2.059 10 20 JECD O=C(CCN1Cc2ccccc2C1=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1778183798 UQJCSHVYXPPVMY-VWLOTQADSA-N 499.951 2.241 10 20 JECD CCOc1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782001586 BBHJGDQLACQWGR-QFIPXVFZSA-N 461.902 2.302 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cnnc3ccccc13)CCO2 1782005719 XNJBQYQICRTQKQ-QHCPKHFHSA-N 468.897 2.452 10 20 JECD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc(C)c1O 1785509974 DODIGXNEEKNLDF-SKFGKQHZSA-N 468.506 2.283 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)[C@@H]1CCCCN1Cc1ccccc1 1789684442 LPNQIFBQZTYRDX-UDIDDNNKSA-N 494.592 2.141 10 20 JECD Cc1cc(/C=C/C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)no1 1790245008 LLWQDYVLUUSJIJ-MSPWOPKDSA-N 461.902 2.354 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cccc(F)c34)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790246160 OYZKXKQWEWSBSI-ODYMNIRHSA-N 488.903 2.445 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cn2c(F)cccc2n1 1790421901 IGAOZFGJJZVMJY-YEWDVWPNSA-N 488.903 2.445 10 20 JECD Cc1cc(CC(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)nn1C 1792314687 ONKBDKHIZGWHDR-UHFFFAOYSA-N 471.608 2.265 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)cc1F)C2)C1=NN(c2ccccc2)C(=O)C1 1796479100 FHOMMELDCJVRMG-YEZVWNJWSA-N 484.915 2.475 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cc(C2CC2)on1 1802788039 BYRRIKPNWZXCDX-YWZLYKJASA-N 485.591 2.127 10 20 JECD Cc1[nH]nc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)c1F 1805125326 OURJAYYPKDOUQL-BBDJDOAOSA-N 481.484 2.402 10 20 JECD O=C(CN1CCCCC1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1806884760 PNYPNKMVKDULGF-LVXARBLLSA-N 488.592 2.366 10 20 JECD CN1CCC[C@H](C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)C1 1807573969 GQGXKVQOSRGXMC-BDDZAWRMSA-N 480.565 2.259 10 20 JECD COC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162337 RAJOZCAPZQKAEY-DTLVDHMJSA-N 455.511 2.343 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)COc2ccccc2)[C@H]1c1cccnc1 1814185479 CBHHWYYDCJXNCT-JTSKRJEESA-N 484.603 2.027 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2nccc3occc23)[C@H]1c1cccnc1 1814189573 SMKTZUAEBWSRRN-BTYIYWSLSA-N 495.586 2.403 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cnn(-c2cccnc2)c1 1816207093 NKQWIAKLNOSRIQ-SFHVURJKSA-N 474.481 2.416 10 20 JECD O=C(CCN1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816976650 ANAPIRMFEZMCEJ-INIZCTEOSA-N 478.644 2.138 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)CC23CCCN2CCC3)[nH]n1 1823499705 UYRHWIDCZFSUGQ-MRXNPFEDSA-N 490.655 2.281 10 20 JECD O=C(COc1ccc(O)nn1)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823712577 PAPHQGZGMNRITP-JTQLQIEISA-N 491.913 2.008 10 20 JECD N[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)c1ccccn1 1827715312 KZPAUSFHWBWCTA-ZCYQVOJMSA-N 488.592 2.494 10 20 JECD O=C(CC1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898193 FECFEEUOITWMPJ-GOSISDBHSA-N 467.657 2.283 10 20 JECD COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)ccc1O 1832902127 ZBVXYHWGOCFKQQ-QGZVFWFLSA-N 491.635 2.494 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn(C)c2)CCO3)cc1 1834174179 ULUQHYOKRJTKCU-SANMLTNESA-N 477.565 2.211 10 20 JECD Cc1cnc(Cl)c(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834323488 YIGFQEDPIVCHGI-UHFFFAOYSA-N 473.961 2.349 10 20 JECD COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1F 1834988419 PXHIZUOIFIOBNF-UHFFFAOYSA-N 486.544 2.068 10 20 JECD COc1cccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834989029 ZCACLKZNUCCELM-UHFFFAOYSA-N 454.527 2.000 10 20 JECD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)CCO3)n[nH]1 1839348445 SOFLWIOMWPNBBY-MHZLTWQESA-N 491.592 2.438 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1839434138 QHNTYYWJMCDXJH-FQEVSTJZSA-N 487.843 2.061 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1CC3(CCC3)C1)CCO2 1840604459 IKNQTTSAQYKBOE-HSZRJFAPSA-N 464.946 2.402 10 20 JECD CC(=O)Oc1ccc(Br)cc1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1844691247 SFGVRYRBRXQZEA-UHFFFAOYSA-N 490.310 2.311 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cn3cccc(Br)c3n2)C1 1845651295 CLMVNVUXKTZRFS-UHFFFAOYSA-N 472.299 2.034 10 20 JECD CNS(=O)(=O)c1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1OC 108452687 XAFSGXSYMZJFJK-HUUCEWRRSA-N 465.547 2.286 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)N3CCC(N(C)S(C)(=O)=O)CC3)cc2F)C[C@H](C)O1 725863265 BSVZKXMOYRKKJQ-HOTGVXAUSA-N 456.584 2.005 10 20 JECD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CSC[C@H]1C(=O)N1CCSCC1)c2[N+](=O)[O-] 728476989 VXHAVDFZGZGNDL-KRWDZBQOSA-N 497.554 2.461 10 20 JECD Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 728877782 QRGWVEBGLSLPML-UHFFFAOYSA-N 452.536 2.387 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)cc1F 731408693 BUTKXWVQCUPJBL-UHFFFAOYSA-N 471.533 2.396 10 20 JECD CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 744290021 VXNBNUTVJGLDIW-IAGOWNOFSA-N 457.554 2.045 10 20 JECD CCOc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1S(=O)(=O)N1CCCC1 747012430 WYEJWWUHRXIKNP-UHFFFAOYSA-N 492.573 2.330 10 20 JECD O=C(COC(=O)CNS(=O)(=O)c1ccccc1F)Nc1cccc2c1C(=O)c1ccccc1C2=O 848390225 GYRBOJKIDZQBMC-UHFFFAOYSA-N 496.472 2.061 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)Cn3nnc(COc4ccccc4)n3)cc2F)C[C@H](C)O1 917709915 HGEDTTKADVYFFO-IRXDYDNUSA-N 454.506 2.321 10 20 JECD CC(C)C(=O)N1CCC(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 918945471 QFQOLAYJBCPUPF-ROUUACIJSA-N 477.577 2.493 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NC[C@@H]1CCN(C2CC2)C1 919785463 ZNRNSTFUYPPIIZ-IBGZPJMESA-N 453.566 2.226 10 20 JECD O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1cn[nH]c1 919956441 WLTNTUDQDOIPBL-UHFFFAOYSA-N 450.498 2.173 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)CC2)cc1 920256019 NBUWSZKDHXJDTG-VFCOFNOGSA-N 482.625 2.397 10 20 JECD C[C@@H]1CC[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)O1 1778812251 SVXSVVZEABBUPO-JKWAKEATSA-N 452.935 2.446 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1778921491 QAMBZFOGFFTDGQ-JNHKJOQOSA-N 467.522 2.147 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1nc2ccccc2o1 1781232159 IGHJVFDFNZQSFK-UZUQRXQVSA-N 452.467 2.075 10 20 JECD COC(=O)Nc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1781446584 FJJPTJACKKUECE-UVXPNCNTSA-N 497.504 2.139 10 20 JECD O=C(c1ccc2nc[nH]c2c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005404 DGOUNXDMCXRSPD-JOCHJYFZSA-N 456.886 2.385 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc4nccn34)C2)C1 1782360987 GVBWULLZMGKQHU-JOCHJYFZSA-N 456.886 2.156 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@]2(F)CCCC=C2F)C1 1783331139 APOZIHYWIKJTCP-HVETUWLQSA-N 451.470 2.366 10 20 JECD CC(C)[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1ccccc1 1784172300 HTYOQFRCWMAQPW-ZVVDCOBXSA-N 489.663 2.266 10 20 JECD COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785503250 FVSNJKYXCJOEJT-YQUNNDSTSA-N 494.544 2.459 10 20 JECD CCc1[nH]nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1Cl 1787133787 JLHNHUMHOQCRHT-QOKNQOGYSA-N 498.971 2.012 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c(C)n1 1789112347 VNYJYIDGQCXNKI-MFEKCTPRSA-N 467.522 2.122 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc(C(F)(F)F)c[nH]1 1796545210 FUGBLEPMYAQYJY-VTEUUUEMSA-N 489.454 2.030 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)n2ccnn2)cc1 1800269188 QJTQENZRHZJRJL-WRHDZBKDSA-N 462.554 2.150 10 20 JECD CC(C)(C)n1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n1 1805043516 LFHCAGPHBQXPGI-HRAATJIYSA-N 464.526 2.473 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cocn1 1806024504 MFJQPLLACRMVRG-PEOKUMBASA-N 450.451 2.219 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)C1CCOCC1 1806697048 BPKUQTGBFKFTAS-GBXCKJPGSA-N 475.549 2.307 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1808001281 SXPKHBJASUXIPA-HFXUHXBXSA-N 461.522 2.481 10 20 JECD Cc1ncoc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808468577 UPWZKHPLEWQQFG-AVRDEDQJSA-N 472.505 2.491 10 20 JECD O=C(CS[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816726430 WBKAVMYHYZDDNC-KZULUSFZSA-N 464.569 2.435 10 20 JECD COC(=O)c1ccc(OCC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1 1816731945 YBWZHIDBEUQRSJ-AWEZNQCLSA-N 498.517 2.041 10 20 JECD Cc1nc[nH]c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1817639257 HHKSVEGSWTWRPK-ZDUSSCGKSA-N 463.523 2.193 10 20 JECD Cc1onc(-c2ccncn2)c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1821253780 XWFKIVXGHHPUIR-LBPRGKRZSA-N 493.505 2.242 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccnc2)CC1 1826083389 PWPWWGXDGJCJIB-XZXOBPBMSA-N 454.527 2.333 10 20 JECD CC1(C)CC(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)C1 1826209285 CJOQLFZWUCKMSD-NSHDSACASA-N 452.627 2.352 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)CCN2CCOCC2)CC1 1826748907 RUOBAHADSHXGRI-DEOSSOPVSA-N 495.624 2.121 10 20 JECD C[C@H](Oc1ccccn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1826806881 TYAIDDFCYIENSU-WCQYABFASA-N 455.496 2.038 10 20 JECD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)n1cccc1C=O 1827073994 XVIMLTNWYRYBTM-VQIMIIECSA-N 490.651 2.342 10 20 JECD Cc1ccn(CC(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)n1 1828194936 DNZOQLYOJJTHBG-UFZAZABTSA-N 469.523 2.090 10 20 JECD Cc1nn(C)c(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)c1F 1828195555 PXUHFJHHERWAOI-WNPFHQFXSA-N 487.513 2.380 10 20 JECD Cn1cc(CCC(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)cn1 1828198786 JLHONBVLLBCNSD-ULYATVDSSA-N 483.550 2.252 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nc1)CCO2 1829509489 MSQLKCAFCKZBCL-NRFANRHFSA-N 482.320 2.183 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)[C@H]1C[C@@H]1C1CC1 1833253562 LQMSLBPKVRJLGE-CRESCGLVSA-N 469.582 2.434 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)cc1 1833276157 IRPWYJVPGOPXDG-HHHXNRCGSA-N 490.560 2.111 10 20 JECD O=C(CCC(F)(F)F)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835325517 SEAULMNXTKYVTD-GOSISDBHSA-N 466.840 2.164 10 20 JECD Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)cc1C 1836283318 QQBOREAEBPZDAS-UHFFFAOYSA-N 488.679 2.349 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837076053 VPHKSYLZGJGFIM-QHCPKHFHSA-N 494.592 2.162 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc4cccnc4nc3O)CC2)CC1 1838030399 XFLRNJSXBXJJIC-UHFFFAOYSA-N 493.520 2.068 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn(C)cn4)C3)C2)cc1 1839348964 WHWQAFXXPBKIHB-AREMUKBSSA-N 477.565 2.211 10 20 JECD CS(=O)(=O)c1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)c1 1845502199 ZRWMORFTURKVLQ-UHFFFAOYSA-N 482.917 2.425 10 20 JECD CC(C)(C)OC(=O)N1CC(CC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1847037279 IJKNPOYWPSGUNP-SOFGYWHQSA-N 487.553 2.277 10 20 JECD COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccc(OC)c(OC)c4)n3N)CC2)cc1 23474662 WOTZMUAEGUNTPO-UHFFFAOYSA-N 484.582 2.126 10 20 JECD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 728209780 PMZDIYWOGRBLAW-JXFKEZNVSA-N 475.615 2.141 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(S(=O)(=O)N(C)C4CC4)cc3)CC2)cc1 729059790 FVSHARYIMAIQFY-UHFFFAOYSA-N 486.594 2.202 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2F)C[C@H](C)O1 917714981 XTMMZHNYIIOTHZ-ROUUACIJSA-N 491.585 2.390 10 20 JECD C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)c1ccc(N2CCOCC2)cc1 920882807 ZEEFULNBEHWEEW-UWJYYQICSA-N 499.589 2.338 10 20 JECD COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC=C1C(=O)N(C)C(=O)N(C)C1=O 920977662 GVPKJXGBOYZSIO-UHFFFAOYSA-N 478.914 2.496 10 20 JECD CCOc1ccccc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1780549934 VOQZPDFSHVXYST-NRGMSUJUSA-N 468.506 2.359 10 20 JECD Cc1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)s1 1783219973 LLRHKARGRSTFEN-RYNBQMKOSA-N 473.551 2.409 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)C[C@@H]21)c1cc(O)nc(O)c1 1787294603 VIDUXXCVVHBSMX-PTTAZLHSSA-N 471.476 2.455 10 20 JECD Cc1ccn2ncc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C[C@@H]43)c2c1 1787374663 STVHDUXUIHZROL-ZFHASDOESA-N 492.532 2.066 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792221164 IZAVTXGZQCWAPI-GOKMZAKSSA-N 481.549 2.070 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4ncccn4n2)C3)cc1 1799620734 VAISQHSQIFURLR-VTYHHJSWSA-N 485.548 2.049 10 20 JECD COc1cc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1OC 1804335988 OXGKYTWHMBNOHW-QDMKHBRRSA-N 477.608 2.124 10 20 JECD CC(C)N[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)C(C)C 1807328580 GOPGLJZKHIHZGV-BULFRSBZSA-N 455.559 2.230 10 20 JECD Cc1nccn1CC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808469165 INMKSBAFBJCCEX-NBGIEHNGSA-N 485.548 2.085 10 20 JECD CS(=O)(=O)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)c1 1810549691 YBFMQOCCBNLQAM-UHFFFAOYSA-N 473.551 2.055 10 20 JECD CC(=O)N(C)CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811797047 ANOSMRVYOUNMHS-IERDGZPVSA-N 474.945 2.334 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811806326 KGPLPUBWJQJJQK-UZLBHIALSA-N 468.897 2.413 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)[C@@H]1CCCSC1 1814143434 AGJQJIQUTBDMAZ-FRQCXROJSA-N 478.665 2.091 10 20 JECD CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720349 MUOXBAKOXRWRGO-LBPRGKRZSA-N 491.570 2.478 10 20 JECD Cc1nocc1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817363504 HCWVLFUMJWXBKV-CYBMUJFWSA-N 464.507 2.458 10 20 JECD C[C@@H](Nc1nccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1818086228 VOLIUPQHDKJVND-RISCZKNCSA-N 457.516 2.479 10 20 JECD C=CC(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1819585252 VJPSYJKNDCZQEO-IAQYHMDHSA-N 461.906 2.471 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cccn(C(F)F)c1=O 1819637783 BVRSCBWWMXTSGC-AWEZNQCLSA-N 474.424 2.392 10 20 JECD O=C(C[C@H]1CNc2ccccc2O1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1819657240 MRXKZNBYMDDUSR-KGLIPLIRSA-N 481.534 2.438 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1823616079 OIUQLHZWKJRNDF-CQSZACIVSA-N 480.568 2.281 10 20 JECD C[C@H](Cc1ccncc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1824527314 LTIWIDOUYCSLPK-OCCSQVGLSA-N 489.648 2.189 10 20 JECD O=C(CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)N1CCCC1 1824944126 NAWZTOKNXAGOBM-IBGZPJMESA-N 458.559 2.129 10 20 JECD O=C(CSc1ncccn1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827426519 YHDQLSQXBCNHJV-QGZVFWFLSA-N 457.556 2.308 10 20 JECD Cc1cnn(CC(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)c1 1837980868 OVWYQTSVNFFIIO-HWKANZROSA-N 484.553 2.020 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)[C@@H]3CCc4ccccc4O3)CC2)CC1 1838031862 SZNHICZUYQEIBW-QFIPXVFZSA-N 481.549 2.499 10 20 JECD O=C(c1cn2c(F)cccc2n1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442507 OJGLCGAXWCVPSI-UHFFFAOYSA-N 460.469 2.083 10 20 JECD Cn1cc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(C(F)(F)F)n1 1844464248 BLSMLWXBKRQOHQ-UHFFFAOYSA-N 474.443 2.049 10 20 JECD C[C@H](Sc1nnc(CCC(N)=O)n1C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 746242110 VLZSNRDEVFGOBL-LBPRGKRZSA-N 463.519 2.128 10 20 JECD COCCOCC(=O)NC1CCC(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 748712073 CTUJQHQGMULEFR-KHQYNDFOSA-N 479.593 2.394 10 20 JECD NC(=O)C1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCSCC4)cc3)cc2)CC1 749028935 GDFSVZAXQIWZOF-UHFFFAOYSA-N 481.622 2.196 10 20 JECD O=C(Cc1ccccc1)NCC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 831630577 CLGUCVHVJKQXIC-UHFFFAOYSA-N 456.454 2.303 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@H](Cc3ccc(F)cc3)n3nnnc3C)CC2)cc1 915699805 YLYHSAHPDVOOSI-DEOSSOPVSA-N 481.576 2.242 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)N3C[C@@H]4CCCN4c4ccccc43)CC2)cc1 918249276 FZANZMFMXREICT-QFIPXVFZSA-N 477.609 2.339 10 20 JECD CCc1ccc(N2C[C@H](C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC2=O)cc1 918334961 JEJGSMIDKDDBMP-HXUWFJFHSA-N 455.580 2.153 10 20 JECD CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918338992 AIGQALYXNDQCSK-HSZRJFAPSA-N 455.580 2.074 10 20 JECD CN(Cc1ccccc1)C(=O)CNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 918346364 DFKHUIGICVBGTI-UHFFFAOYSA-N 498.517 2.490 10 20 JECD Cc1cc(C(=O)COC(=O)CCS(=O)(=O)C2CCCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 919334256 LMSHGWDYRUQDDF-UHFFFAOYSA-N 496.607 2.215 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@H](c3cccs3)N3CCOCC3)CC2)cc1 920251494 AQFWIIUAGVIYNX-UVIRAJKCSA-N 484.622 2.151 10 20 JECD Cc1nc(C)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)o1 1779735528 JNHNHCXJHDDULS-CJFMBICVSA-N 479.537 2.212 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)cc1 1781750397 GGEYUKXJNJFTEE-CRICUBBOSA-N 452.555 2.049 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783222530 YMZQTJYUTSWINF-UNUPSNOVSA-N 496.564 2.226 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1nnc(-c3ccccc3)o1)CCO2 1785507840 WMDUMJHGEQQORB-PMDNVAFQSA-N 492.488 2.010 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cnnc2ccccc12 1787888141 RVRTVGOTMIKFNI-LFMXZXMYSA-N 490.516 2.053 10 20 JECD O=C(NC1(c2ccc(NC(=O)[C@@H]3CCCS3(=O)=O)cc2)CCC1)C1=NN(c2ccccc2)C(=O)C1 1791181369 ZNTTWJLSHLDSCP-NRFANRHFSA-N 494.573 2.491 10 20 JECD CCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796600804 FGZUZALVVPFEOJ-YRPNKDGESA-N 466.538 2.343 10 20 JECD CN(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)cn1 1796934460 GYDGWTRCXYAWPC-FNLKRUPLSA-N 460.538 2.192 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc2ccoc2c1 1799971066 GULWSCGAWDZVCH-NHKMSHSESA-N 472.501 2.429 10 20 JECD COc1c(C)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1C 1802079719 TUDAFJHVLZCDTJ-PTFSPBDCSA-N 482.533 2.345 10 20 JECD CC(C)(O)CC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1806776054 DYMGOFPRHFNKMT-MBSDFSHPSA-N 463.538 2.041 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC2(CCCN(C(=O)c3cccc(=O)n3O)C2)CC1 1807555622 HIAQHMYAIRDFLP-UHFFFAOYSA-N 461.902 2.309 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ncc1[N+](=O)[O-] 1807992953 FJBZGQFQTAGPDD-VFNWGFHPSA-N 478.465 2.133 10 20 JECD Cc1noc(C)c1CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807993877 PBUAEBPKCGFICD-UZUQRXQVSA-N 465.510 2.445 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccn3cncc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995183 DTSWJDMXEBFQJT-KSFYIVLOSA-N 458.478 2.169 10 20 JECD Cc1ccn2c(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)cnc2c1 1807998774 FUJNQZLASUWWFJ-HXOBKFHXSA-N 472.505 2.477 10 20 JECD Cc1oncc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808467525 HHFZLYIXBYLZGC-MBSDFSHPSA-N 472.505 2.491 10 20 JECD O=C(CCS(=O)(=O)c1ccccc1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810543094 UOUNQRWTJLHALZ-UHFFFAOYSA-N 487.578 2.202 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc3ccoc3cn2)[C@H]1c1cccnc1 1814190306 WIHNGAXCFJRYBZ-KKSFZXQISA-N 495.586 2.403 10 20 JECD Cc1noc(C)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816405982 YTOSEIUIJGCCBV-ZDUSSCGKSA-N 462.557 2.181 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cnoc1C1CC1 1816658376 IKMPCMQRAVSWLA-CQSZACIVSA-N 474.568 2.441 10 20 JECD CCOc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)nn1 1817847627 PILKYXJITFSISD-HNNXBMFYSA-N 453.459 2.024 10 20 JECD CCc1nc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)co1 1819898145 KWASLFJAUXLYIZ-CYBMUJFWSA-N 462.557 2.126 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2)n1ccccc1=O 1820134636 MPRYAIAVEXQNQI-GJTNBUKJSA-N 496.545 2.308 10 20 JECD COc1cccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)n1 1827423768 GQMPYEDGQMYGQL-IBGZPJMESA-N 454.527 2.372 10 20 JECD O=C(/C=C/c1ccco1)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240674 YTMPIEATIORQOT-MALLOTDXSA-N 462.578 2.222 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCS2)CC1 1832442197 XBBRNHVNLBCTEA-HOTGVXAUSA-N 455.671 2.362 10 20 JECD O=C(c1cn2cc(Br)ccc2n1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249404 GYPMXKJXEXEIEA-UHFFFAOYSA-N 472.299 2.034 10 20 JECD O=S(=O)(NC[C@@H]1CCCO1)c1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1 727468416 NLNWEQRIEJAHQY-FQEVSTJZSA-N 463.575 2.409 10 20 JECD CC1CCN(c2ccc(CNS(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1 731039213 XWXBTGYHKDAIGE-UHFFFAOYSA-N 493.651 2.422 10 20 JECD COc1ccc(N2CCN(CCNc3ncccc3S(=O)(=O)N3CCCCC3)CC2)cc1 731209201 MJWAJAHTWLGBPQ-UHFFFAOYSA-N 459.616 2.499 10 20 JECD COc1ccc(-n2c(C)cc(C(=O)NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)c2C)cc1 916786367 YJGNLDYGIBBELL-UHFFFAOYSA-N 481.530 2.459 10 20 JECD Cc1ccc([C@H](CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)N2CCOCC2)o1 918118873 VRCLLVLINUWTPK-IRLDBZIGSA-N 469.586 2.162 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 918310041 KBJBEETTZJMVKT-UHFFFAOYSA-N 488.610 2.197 10 20 JECD CCN1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2)CC1 918439629 OESYSEMMTHGFEL-UHFFFAOYSA-N 483.588 2.184 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCN(c2ccccn2)CC1 919782629 BQTRZTBIGAFGHN-UHFFFAOYSA-N 476.560 2.369 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 919810194 GKKKBDPPFRMDDT-UHFFFAOYSA-N 491.957 2.425 10 20 JECD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(CNC(C)=O)ccc2OC)cc1 920482134 JYWKBQAFRBUQLX-UHFFFAOYSA-N 455.558 2.284 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nccn4c3)C2)C1 1778018082 VBCBDHZJIQQIGG-JOCHJYFZSA-N 456.886 2.156 10 20 JECD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)N(C)C(=O)OC(C)(C)C 1781038517 QVTPIPDQCOHMPG-QKFKETGDSA-N 497.976 2.450 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)cc1 1781751019 OJDSRMBOPOPMGB-VWLOTQADSA-N 461.522 2.347 10 20 JECD O=C(c1cc2cccnn2c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009595 WZWXTEMLAWYUHA-JOCHJYFZSA-N 456.886 2.156 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3ccc4occc4c3O)C2)C1 1782399747 UXFHFRAEMIEBKQ-GVKJAXJASA-N 480.473 2.412 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)c1ccccc1)C2 1783219724 AYKUZKMJPAFROX-GOMQNXMVSA-N 480.517 2.213 10 20 JECD Cc1ccc(OCCC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785503578 LLAGTIOXZNYUOS-AWQUAADZSA-N 482.533 2.424 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c(C)n1C 1787540373 WFVHUPFCOOZRLD-HARLFGEKSA-N 477.565 2.028 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790243484 OZWACEJZTAJGBD-BAGFXWCHSA-N 474.945 2.240 10 20 JECD Cc1cc(C)cc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)c1 1791456713 RATPCGVOUXQFAL-JBACZVJFSA-N 453.539 2.336 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccnc(C(F)F)c1 1794271168 ZOJFKEILKBQLPK-VPTLXERWSA-N 483.475 2.015 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncccc3c1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480311 ATDIIMSTCBUAPT-AGPMEKIXSA-N 497.555 2.160 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CCCC2 1796631337 XDCDOGCTDAIQJY-XFLCEESOSA-N 452.511 2.371 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1c(F)ccc(F)c1F)C2 1802078994 OKDIEUFKKORADM-ICIIRRFMSA-N 492.450 2.066 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cccc(-c2cnccn2)c1 1804335745 BTHRCXQGEYBJKK-BCDXTJNWSA-N 481.603 2.256 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)nn1C 1805594057 OSFKMVOQHXMUTR-LFXIQIKPSA-N 477.521 2.273 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n(C)n1 1805639307 FYZGKWTWSSEKCG-YADARESESA-N 485.548 2.236 10 20 JECD CN(C)c1cccc(OCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1807993205 GEXKCGCRFZPHHM-IQGLISFBSA-N 491.548 2.352 10 20 JECD O=C(CC12CCCN1CCC2)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1808034990 BAFZGZBHMMVNKZ-JPYJTQIMSA-N 465.554 2.226 10 20 JECD CCc1cc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n(C)n1 1808469233 KMHNGUPZSRUTFD-KBMIEXCESA-N 499.575 2.490 10 20 JECD CC(=O)Nc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)o1 1810298889 XIRXFBCHQMEOFF-VFNWGFHPSA-N 465.466 2.073 10 20 JECD Cc1nccnc1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1811090486 WPAXKQPZZMAPGG-OPWPMMOYSA-N 475.505 2.330 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cc2ncccc2[nH]1 1812080468 XCQPFKJKNNLADO-VFNWGFHPSA-N 494.602 2.138 10 20 JECD Cc1nccn1CC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1812404691 PIVMHPFYTVYMQC-CPJSRVTESA-N 485.548 2.085 10 20 JECD C[C@](O)(CC(=O)O)CC(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1813068529 OORHDTHKFIDPCO-HCVAFPHWSA-N 491.928 2.082 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)[C@@H]1CCCOC1 1814161552 HWHMCFIJBIXGDL-DJARWNEWSA-N 467.522 2.344 10 20 JECD CCOC(=O)/C=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1816752806 JZZSVYDXJMCBMC-TZZQJPOUSA-N 478.509 2.314 10 20 JECD Cc1nnc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)s1 1817843939 JEOHJDWSQIOEDU-AWEZNQCLSA-N 457.516 2.315 10 20 JECD COc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)ccc1F 1827605813 AVRPKYHDHJBKOW-LLVKDONJSA-N 494.595 2.377 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1829837161 DQVLDRKGEKFRDC-OAHLLOKOSA-N 479.584 2.017 10 20 JECD COC(=O)C1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1832878368 MUQXDRAEQILHHQ-IWHGQQBYSA-N 472.538 2.390 10 20 JECD Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)on1 1832898600 RHNMWJCJPNKKEP-OAHLLOKOSA-N 450.586 2.077 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccnn2C)CCO3)cc1 1834239033 ASURQUKZMZBWQB-AREMUKBSSA-N 477.565 2.211 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ncccc3C(F)(F)F)CC2)CC1)c1cc(O)nc(O)c1 1834988724 JBVHILMVMPMDAK-UHFFFAOYSA-N 493.486 2.406 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccncn4)C3)C2)cc1 1839348569 VXJZNPYYVFXKBC-SANMLTNESA-N 475.549 2.268 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)C3(c4ccccc4)CC3)C2)C1 1840880011 SKZNQORWTYCREL-TTZARTBGSA-N 494.544 2.005 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC12CN(C(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1843250559 LOXNEEIQNKEBMU-UHFFFAOYSA-N 452.467 2.340 10 20 JECD O=C(OCCO)c1ccccc1C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1844719591 HCDINVSRGCCEDS-UHFFFAOYSA-N 474.897 2.031 10 20 JECD Cc1cc(C(=O)COC(=O)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c(C)n1-c1ccccc1 19469630 LGAMUFPBJQSGSX-UHFFFAOYSA-N 486.506 2.488 10 20 JECD CN1C(=O)CCc2cc(NC(=O)C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc21 729784549 MOKILUNAEOIDNA-UHFFFAOYSA-N 450.539 2.059 10 20 JECD CCn1c(S)nc2cc(C(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)ccc2c1=O 742920730 MXPOFIKAJFBNPC-UHFFFAOYSA-N 467.595 2.266 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)N[C@@](C)(c4ccc(C)cc4)C3=O)CC2)cc1 758161215 AVOWXCSGKPCEFY-MHZLTWQESA-N 493.608 2.099 10 20 JECD O=C(CN1CCN(C(=O)CCC2CCCC2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 917046750 NXLLQOJSTXMKOM-UHFFFAOYSA-N 460.594 2.393 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)C(=O)N(C[C@H]3CCCO3)C4=O)cc2)C1 917834212 ZFBJQMUZZIBESZ-PZJWPPBQSA-N 490.560 2.093 10 20 JECD CCNS(=O)(=O)c1ccc(F)c(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 917938840 KVMRRGNJNUWAAN-UHFFFAOYSA-N 478.590 2.075 10 20 JECD C[C@@H](OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 918001304 IOFGOHILYAMLMA-SRGMZFCMSA-N 489.484 2.053 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3ccc(Br)s3)cc2)C1 918372798 PVKQROYVMVRCKF-AWEZNQCLSA-N 479.400 2.259 10 20 JECD Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 919568431 AATPCYCSTNDHDK-UHFFFAOYSA-N 458.540 2.294 10 20 JECD O=C(C[C@H]1Oc2ccccc2NC1=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919762124 UGZILXYGLPXGBV-JOCHJYFZSA-N 476.512 2.348 10 20 JECD CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 919839595 KIASUXLFRPCOFU-UHFFFAOYSA-N 465.597 2.108 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)CC(N)=O)CCO3)cc1 1781750400 GGEYUKXJNJFTEE-SSOJOUAXSA-N 452.555 2.049 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1782007410 FHFBSUMMZTYTJQ-QGZVFWFLSA-N 459.724 2.122 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3ccccn3n1)C2 1783221983 DFPDTKLPQCUVIW-ZYHKADTASA-N 492.532 2.292 10 20 JECD Cc1c(Cl)cccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1783725651 AETBXLUKJUGAQV-QRTARXTBSA-N 482.027 2.102 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4ccccc4O3)C2)C1 1783839035 GIVMOKIZADPTJS-KCWPFWIISA-N 488.544 2.003 10 20 JECD COc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1F 1785301490 GBQWTWLGUXVONF-HLZSCNFSSA-N 472.469 2.108 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCC3)CCO2 1785503776 PUZGMJUJBUAUGP-MFRZQGIHSA-N 478.545 2.378 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccc(-c3cc[nH]n3)cc1)CCO2 1785509766 CSFGJHBURIFKEJ-AQBQYSGMSA-N 490.516 2.350 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(c4ccccc4)CCC3)C[C@@H]21)c1cc(O)nc(O)c1 1787295135 OCUYUTIAGYNVLB-VDGAXYAQSA-N 451.523 2.208 10 20 JECD COCCn1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)n1 1788763621 AJFCYRCBGNOHPN-UHFFFAOYSA-N 451.483 2.397 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1ccc(NC(=O)C2CC2)cc1 1796604894 VKIUFOPLCNWACS-REPLKXPHSA-N 450.495 2.407 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1cc2cc(F)ccc2s1 1797428785 LMZRXYRODBXNQL-DBWKPXFBSA-N 493.607 2.104 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCCCO)cc1)C2)c1cc(O)c(O)c(Cl)c1 1799768862 CVZJCFHCPZIFNH-UPHUGPLXSA-N 490.940 2.029 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncncc3c1)C2)c1cc(O)c(O)c(Cl)c1 1799769398 JIELSKLTATYHBK-CWPLJXCYSA-N 468.897 2.211 10 20 JECD O=C1CSC(=S)N1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(F)c(F)c3)CC1)C2 1804335765 JYOLLXNNJCLGAG-QDMKHBRRSA-N 479.574 2.495 10 20 JECD CCn1nccc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1805911626 FQFWDLVSTAKQNY-DVECYGJZSA-N 485.548 2.411 10 20 JECD COc1cccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1806553855 ZAPJJGLQCSNZOR-UUOWRZLLSA-N 462.506 2.459 10 20 JECD COCCCC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808463579 DBUOAWLPFDPPDO-YADARESESA-N 463.538 2.307 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc(Cl)cn1 1810748698 KZJAOTRUKUZQEM-LIRRHRJNSA-N 490.010 2.310 10 20 JECD CN(C)C(=O)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1814005681 AJVPPZPEBQGWOG-AUSIDOKSSA-N 489.532 2.223 10 20 JECD CCOc1ncccc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814184804 GJLZOJNXSIHTQL-UZLBHIALSA-N 499.618 2.055 10 20 JECD CCc1[nH]nc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c1F 1816259146 ZSQSKABKYPFNOB-GFCCVEGCSA-N 479.563 2.001 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccn3nccc3c1)CC2)c1cc(O)nc(O)c1 1816725355 HKNWXPBTRVRBPI-ZDUSSCGKSA-N 450.480 2.137 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnn3c1CCC3)CC2)C1=NN(c2ccccc2)C(=O)C1 1817361657 BCWFGEFNURCUPA-AWEZNQCLSA-N 489.561 2.305 10 20 JECD Cc1ccn(CC(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n1 1817364270 RUKJECRUUUWCLU-OAHLLOKOSA-N 477.550 2.053 10 20 JECD Cn1ncc(Br)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817845155 CRDBFKKIISELKU-ZDUSSCGKSA-N 490.318 2.332 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1ccncn1 1818181212 YVZHJYKEWLDULF-YERXGYGTSA-N 450.455 2.336 10 20 JECD CC[S@@](=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1819267836 PYKLAHORGSCUJO-JSUCKOBLSA-N 476.555 2.391 10 20 JECD CC(=O)O[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2)C(C)C 1819491436 FEHTWHFZEOCYJG-OMFINPOUSA-N 489.550 2.473 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(-n4ccnc4)ccn3)sc2C1)c1cc(O)nc(O)c1 1821687627 VSOQOGCDMAJGIE-CYBMUJFWSA-N 477.506 2.070 10 20 JECD O=C(CC[C@@H]1CCOC1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1823033640 WUQAFGRIRHHKPR-UKRRQHHQSA-N 465.601 2.079 10 20 JECD O=C(Cc1cccc(F)c1F)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1825498891 UFKWSDMCPCMNKP-LLVKDONJSA-N 496.586 2.436 10 20 JECD Cc1ccc(C(=O)NCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)cc1 1827429459 VSSDJZNGEATTTN-NRFANRHFSA-N 480.565 2.465 10 20 JECD Cc1cccc(CC(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1 1828242506 JZGXBBXZVQTHHI-AWEZNQCLSA-N 474.633 2.467 10 20 JECD C[C@](O)(CC(=O)O)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1831869211 BQBJJGRCMGKOSH-HABRTCSESA-N 490.553 2.052 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccn4)CCO3)C2)cc1 1836172087 FUPQTZNTJQVCLB-AREMUKBSSA-N 477.565 2.061 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3nc[nH]c13)CCO2 1836423324 NQVIQYBPUDPRHM-QHCPKHFHSA-N 486.912 2.011 10 20 JECD CCOC(=O)O[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1836506408 FGYXRXNVXDOEQI-AWEZNQCLSA-N 497.976 2.498 10 20 JECD COc1ccc(N2CCCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)cc1 108095946 ZMZXJKAFAVFSCW-UHFFFAOYSA-N 476.555 2.341 10 20 JECD O=C(CN1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1)N1CCCC1 726722202 NUBJPUNOOYSMKT-UHFFFAOYSA-N 465.545 2.206 10 20 JECD CCOCCC(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 728350924 GDCQTDYEFDAOCP-UHFFFAOYSA-N 478.567 2.268 10 20 JECD COc1ccc(N2CCN(C(=O)C[S@](=O)Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1 729875528 FPZLMTNBXJKSAK-JGCGQSQUSA-N 458.515 2.482 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1F 747010877 IVRFCELABUBTFU-UHFFFAOYSA-N 462.547 2.321 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 750350561 TVWJEKABEDNZBL-UHFFFAOYSA-N 478.597 2.193 10 20 JECD O=C(COC(=O)c1ccc(-n2cncn2)nc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 825860049 ZHIKGKLQEXEOTB-UHFFFAOYSA-N 453.414 2.233 10 20 JECD Cc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C(N)=O 917912740 XZXVBGCMTNGDRJ-UHFFFAOYSA-N 457.474 2.428 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(C(=O)N4CCOCC4)cc3)cc2F)C[C@H](C)O1 917918530 PLLPBTPDILTACB-ROUUACIJSA-N 491.585 2.390 10 20 JECD O=C(Nc1cccc(N2CCCS2(=O)=O)c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918297806 TVYNDIFLPURLIN-FQEVSTJZSA-N 473.551 2.078 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 918335533 OULWPNDWLALAQA-UHFFFAOYSA-N 493.651 2.190 10 20 JECD COc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(OC)cc1Cl 918463934 PLAKQWLDOOBFPE-HNNXBMFYSA-N 474.945 2.314 10 20 JECD Cc1cc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(Br)cc1 918570310 SHSAKGKEEBPVQJ-MRXNPFEDSA-N 482.400 2.280 10 20 JECD CC1(C)NC(=O)N(CCCOC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1=O 918848431 AYDOEJYKQIMJEU-UHFFFAOYSA-N 465.418 2.248 10 20 JECD CCN1C(=O)C(=CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)N(CC)C1=S 920974764 RSTWHLWGNIETPO-UHFFFAOYSA-N 465.582 2.235 10 20 JECD Cc1cc(C)n2ccc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)c4cc(O)nc(O)c4)C3)c2n1 1777850472 DLEBFLLONXNOFX-KBMIEXCESA-N 479.537 2.199 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCN1Cc1ccccc1)C2)c1cc(O)nc(O)c1 1777851290 YCAGQHCXGGUHOZ-OREGWCPLSA-N 494.592 2.285 10 20 JECD COc1cc(C)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c1 1780848256 HYGXAMZZGFSSSC-NTKDMRAZSA-N 455.511 2.251 10 20 JECD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)N1CSCSC1 1782007008 GADCDHLWYFLGML-XCLFUZPHSA-N 488.031 2.238 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)C1Cc3ccccc3C1)CCO2 1785511196 DINZTUSVRSURQL-AQBQYSGMSA-N 464.518 2.062 10 20 JECD CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)c1 1787294662 ZJXYVABRHWFGQL-IXDGSTSKSA-N 488.928 2.012 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H]3CCC[C@H]1c1ccccc1N3)C2)c1cc(O)nc(O)c1 1796137675 CVARQFDSWZPYFL-FYFUJFLGSA-N 478.549 2.074 10 20 JECD COc1cc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c(F)c1 1802079407 HLNZSXPFBSBHMD-IGDYCWIXSA-N 490.459 2.007 10 20 JECD O=C(Cn1ccc2c(F)cccc21)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804334569 RJEUEFKLNAZVLA-QDMKHBRRSA-N 474.583 2.279 10 20 JECD Cc1occc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1805621252 KJNHTPRCYCQHOV-HNAYVOBHSA-N 458.565 2.163 10 20 JECD Nc1nc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cs1 1807236708 LYVOFTJFOCZZSL-UVKZZVNJSA-N 481.534 2.270 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CNC(=O)c2ccco2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803815 MDULCBZQWIIGDI-YCRPNKLZSA-N 498.923 2.489 10 20 JECD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cn1 1814162501 LJCYTYQJIFTKOH-OPWPMMOYSA-N 475.505 2.330 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)Cc2ccc(O)cn2)[C@@H]1c1cccnc1 1814167103 XHHPBAVFTQAYII-DYUGSACZSA-N 490.516 2.261 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)/C=C/c2cccnc2)[C@H]1c1cccnc1 1814184950 ISRWBOGOCJWANI-JNQOSRSFSA-N 481.603 2.056 10 20 JECD CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cn1 1814186544 RUFQMZKLSZQJMC-KKSFZXQISA-N 483.619 2.219 10 20 JECD CCC[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367002 MROVYAQKAYQFJM-MAUKXSAKSA-N 496.593 2.153 10 20 JECD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817847783 XZHPRJPILBLKOE-SCLBCKFNSA-N 496.499 2.479 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCC4)sc2C1)c1cc(O)nc(O)c1 1819127437 YTFJXQUSFBEKLD-GFCCVEGCSA-N 454.512 2.022 10 20 JECD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822357455 JKYWFSLLWTZIEW-BFYDXBDKSA-N 469.498 2.277 10 20 JECD CC(C)[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1)c1ccc(F)cc1 1836419476 JNLGYCBOIKOEQK-DHLKQENFSA-N 487.528 2.142 10 20 JECD CCc1[nH]nc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1Cl 1843109689 URBZDJQPODGURI-UHFFFAOYSA-N 454.918 2.235 10 20 JECD Cc1c(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)ccc2c1OCCO2 1843296662 HSBYRGZEKIUUFE-XBXARRHUSA-N 466.490 2.413 10 20 JECD O=C(c1ccccc1C(F)(F)F)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056280 ZUIZCABZTVRYNE-UHFFFAOYSA-N 457.499 2.383 10 20 JECD CC(=O)NC1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)CCCCC1 109131121 GLDKZBHINWFZDI-UHFFFAOYSA-N 475.567 2.306 10 20 JECD Cc1noc(CCCNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)n1 727476056 KIGAOELVTOLPPD-UHFFFAOYSA-N 454.510 2.066 10 20 JECD COc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(C(=O)O)c2)cc1Br 728015475 REFUVSUUUSOKMT-UHFFFAOYSA-N 479.330 2.328 10 20 JECD C[C@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)S(=O)(=O)c1ccc(F)cc1 729177827 FDXIRECYHQOTEU-AEFFLSMTSA-N 461.559 2.396 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3Cc4c(OC)ccc(OC)c4[C@@H](O)C3)CC2)cc1 743358526 LZMBBYQNUDUJKR-NRFANRHFSA-N 470.570 2.093 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC(C(=O)NCCc3cccs3)CC2)c1 745189424 NXBXSSVOGUTHBO-UHFFFAOYSA-N 451.570 2.036 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)cc2)C1 918006362 VUXNIKPUSISNDL-OAQYLSRUSA-N 492.624 2.291 10 20 JECD CN1CCN(c2ccccc2NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 918029193 IYSCJKUGRAIKMG-HXUWFJFHSA-N 450.587 2.462 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)cc2)C1 918053117 NYSMFVCRVYLGBH-QGZVFWFLSA-N 489.573 2.389 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(OC(F)F)c(F)c3)cc2)C1 918464732 BXSHYAFQIMUIOY-AWEZNQCLSA-N 464.444 2.384 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)COc3ccc4c(C)cc(=O)oc4c3)nc12 918831894 BPEVBGDELIXBAR-UHFFFAOYSA-N 453.407 2.149 10 20 JECD Cc1sc2nc(CCC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)nc(O)c2c1C 920342581 AHRFOVOERBEMAD-UHFFFAOYSA-N 474.608 2.498 10 20 JECD Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O 920636495 VVHIXESUEODKHV-UHFFFAOYSA-N 486.550 2.099 10 20 JECD CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1N/C=C1\C(=O)NC(=S)N(CC(C)C)C1=O 920979022 QMAPLJFOKURBHQ-GHRIWEEISA-N 494.639 2.455 10 20 JECD Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(-n2nccn2)c1 1780242509 XBXVMENIUIFCBW-XMMPIXPASA-N 497.939 2.398 10 20 JECD Cc1ccc(S/C=C/C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1785539803 CMXWTVHUAZHVQE-NOUTYMABSA-N 491.660 2.291 10 20 JECD O=C(Cc1ccsc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1787067807 DYQDVJSGVJFOAA-VXOMVHHBSA-N 458.536 2.101 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cccc2c1OCC2 1787819258 WUISGMBRDUJGDJ-JSFTZJQYSA-N 480.517 2.045 10 20 JECD CC(C)(C)c1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cn1 1792219094 JHHBJYAMNFDXPP-SBTJSFKZSA-N 496.564 2.198 10 20 JECD Cc1ncc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)cn1 1792314115 TTZWFIVZYLWIPA-UHFFFAOYSA-N 455.565 2.393 10 20 JECD Cc1ccc2c(/C=C/C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)nc(O)c3)c[nH]c2c1 1796142125 UIVIMVLFHBFDIZ-MGNLIJHLSA-N 462.506 2.199 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1n[nH]c2c(F)cccc12 1797490372 PXIMPZVAEKLZLK-DPIQGUFMSA-N 474.876 2.284 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1Cl)C2)c1cc(O)c(O)c(Cl)c1 1799769291 GBXKYNZZKHPWGV-DPIQGUFMSA-N 452.294 2.317 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1ccc(-c2ccccc2)cc1 1801842167 ICYUXPQRTKSITF-JHDGKUDLSA-N 495.626 2.417 10 20 JECD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c(C)n1 1802082501 ORNZOFNSUOHQKG-GGECVDOFSA-N 481.549 2.051 10 20 JECD CC(C)(C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1803081315 JHVJHASJOAZVSZ-ZQAKOCHRSA-N 469.538 2.325 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1nnsc1C1CC1 1808733546 LQCBWSFXJJEITA-LIRRHRJNSA-N 466.523 2.250 10 20 JECD C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)O1 1809563189 ZNVBRAXTOBSQLV-JSDAYLKBSA-N 467.522 2.485 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cnnc(Cl)c1 1816025418 ZAJLWZVBHBIDHI-GFCCVEGCSA-N 479.975 2.019 10 20 JECD COc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c(O)c1OC 1816729542 VRRRTKCPFBEEFT-LLVKDONJSA-N 486.506 2.212 10 20 JECD O=C1COc2ccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)cc2N1 1817845946 CVOMVPHVAROPEX-INIZCTEOSA-N 478.465 2.167 10 20 JECD Cn1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)cn1 1825934271 ZSUBNYIJXOPVFW-FNQPIQQGSA-N 454.527 2.484 10 20 JECD COc1ccc([C@@H](O)C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)cc1 1827424870 QCXGREDGTRTJCI-NFBKMPQASA-N 469.538 2.468 10 20 JECD Cn1c(CC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc2ccccc21 1834985539 JOFVZJDGUGYNMF-UHFFFAOYSA-N 491.592 2.412 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccc2cc(O)ccc2n1 1835314912 QJOAQDQGPIZPEZ-UHFFFAOYSA-N 491.548 2.246 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(N3CCC(NC(=O)C4=NNC(=O)C4)CC3)CC2)cc1 1835702369 XGYKWGMRMIIZAU-UHFFFAOYSA-N 490.608 2.155 10 20 JECD COc1cscc1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031587 RWSMHBDKNXSZJD-UHFFFAOYSA-N 461.540 2.489 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)c3cnoc3)CC2)CC1 1838110454 LMCQWOFJOPFHHB-UHFFFAOYSA-N 465.510 2.080 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)(Cl)Cl)CCO2 1839922577 JADJAUQAXGYDOF-MRXNPFEDSA-N 488.151 2.191 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)Cc2cc(F)ccc2Br)C1 1841838910 JQBSQADKYJSAKI-UHFFFAOYSA-N 464.291 2.454 10 20 JECD O=C(c1n[nH]c2ccc(F)cc12)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037821 UMKYVCMJAXGLJX-XVNBXDOJSA-N 452.442 2.349 10 20 JECD O=C(COC(=O)c1cccc(-n2cnnn2)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9745841 XMSRNOUSCUGILE-UHFFFAOYSA-N 453.414 2.233 10 20 JECD Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C)n1-c1ccccc1Br 728699446 VDJWQMJAVPYDQR-QUCCMNQESA-N 496.427 2.084 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1F 731409060 JZWDJFQMAVQDJE-UHFFFAOYSA-N 485.560 2.198 10 20 JECD O=C(CCCS(=O)(=O)N1CCCC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 917688017 ZFZHBYYRJFBECR-UHFFFAOYSA-N 463.522 2.364 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc4nc(O)nc(O)c4c3)cc2F)C[C@@H](C)O1 917919235 WYNLRASSNQQBDG-BETUJISGSA-N 462.503 2.272 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H](CC(C)C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)nc12 918807595 IHBFXXXFBLLAAA-NUJGCVRESA-N 484.509 2.021 10 20 JECD O=C(CSc1nnnn1C1CCCC1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919699716 YNLPWFQSZBDKJW-UHFFFAOYSA-N 497.604 2.452 10 20 JECD CC(C)[C@@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)n1nnc(-c2ccccc2)n1 919849481 WNAGQCSMPZVLTH-NRFANRHFSA-N 468.583 2.088 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(CN4CCC[C@@H]4C(N)=O)c3)cc2)C1 920939624 FFIUUADUHHLVKQ-NZQKXSOJSA-N 478.597 2.160 10 20 JECD O=C1NC(=S)NC(=O)C1=CNc1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)cc1 920978434 AHKBCYRMVHFCLL-UHFFFAOYSA-N 499.343 2.216 10 20 JECD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1 1353927654 WYSKVQDPEMWTTG-UHFFFAOYSA-N 459.549 2.393 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)cc1F)CCO2 1782007937 PDXNWBJUQHIWNJ-OAQYLSRUSA-N 450.850 2.353 10 20 JECD COc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1F 1785297307 GUZCOOHNRXBPEH-VWLOTQADSA-N 480.496 2.071 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c3cc(Cl)ccc13)CCO2 1785539519 DBUOIBNHTIMTEP-NRFANRHFSA-N 493.010 2.125 10 20 JECD C[C@@H](Sc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1791581381 UOAFPBXHZIAGKA-GLHCULJKSA-N 499.589 2.372 10 20 JECD CC[C@H](C)[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1ccccc1 1795180648 SZFIWSWORKPNRK-WDOPAGCPSA-N 489.663 2.266 10 20 JECD C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)CCN1C(=O)OC(C)(C)C 1796605607 UMLKFIGFFDNVCZ-SOVHRIKKSA-N 474.558 2.390 10 20 JECD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)[nH]1 1803818200 NKQZWQOTCVCOTC-IRUILINGSA-N 463.494 2.263 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cn3ccsc3n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994800 BUWDUTHGARTZMW-KUHUBIRLSA-N 464.507 2.230 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(O)ccc1F 1810901168 QMYCVSCMBCDXJH-SPLOXXLWSA-N 452.442 2.366 10 20 JECD COc1cnc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)cn1 1816609649 BHLBUHDCESTSFU-LJQANCHMSA-N 488.508 2.307 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1Cc3ccccc3O1)CC2)c1cc(O)nc(O)c1 1816725247 GPVVVJLCHOWQTE-BBRMVZONSA-N 452.492 2.179 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2ncncc2c1 1819186701 AEBJPVSLAKMJQX-CQSZACIVSA-N 462.491 2.432 10 20 JECD COc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1821931406 HNEPTSRPNRQOEC-LLVKDONJSA-N 476.605 2.238 10 20 JECD Cc1cccnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823496546 JXUGWINTWYKBDT-CQSZACIVSA-N 458.569 2.279 10 20 JECD Cc1cccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)n1 1823496836 PUZFWLQHRJIENZ-MRXNPFEDSA-N 472.596 2.208 10 20 JECD CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)N(CC)CC 1823497649 XPKHZTXWPHPPHA-HOTGVXAUSA-N 480.660 2.383 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)ncn2)CC1 1824659512 VIWREBCRSOXPFO-FZMUQLTDSA-N 468.510 2.246 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)C4CC4)CCO3)C2)cc1 1830603193 WLBBJAOFWWXUFJ-SANMLTNESA-N 465.550 2.143 10 20 JECD O=C(c1cccc(=O)n1O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877036 RTYZBBHHVAFGFZ-XSFOEPMVSA-N 483.521 2.149 10 20 JECD CC(=O)O[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)C(C)C 1832901943 GVFMMDIYWIHIOG-YLJYHZDGSA-N 483.656 2.054 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834987656 RMGPBUVHBIUOQI-QGZVFWFLSA-N 467.570 2.179 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)CC1 1838776250 XXAIPGMPVIOCBC-SCLOWVIKSA-N 486.565 2.383 10 20 JECD CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1838963579 KMXCGGOOIWDUBL-DEOSSOPVSA-N 489.956 2.201 10 20 JECD Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1839431702 HXDVJNSDXHFLDO-XMMPIXPASA-N 474.941 2.372 10 20 JECD CCOc1ccc(Cl)cc1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1845395638 HEYSHDDHEUNRSA-UHFFFAOYSA-N 468.000 2.416 10 20 JECD O=C(c1c(F)ccc(Cl)c1F)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056699 XZGIIMUEDDYAIB-UHFFFAOYSA-N 459.927 2.296 10 20 JECD COc1ccc(N2CCN(C(=O)CSc3nnnn3-c3cc(OC)ccc3OC)CC2)cc1 110315068 CEXQVPLFUBWTIB-UHFFFAOYSA-N 470.555 2.129 10 20 JECD CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)N1CCN(c2ccc(OC)cc2)CC1 138637960 VQLHFECKQDYJKJ-UHFFFAOYSA-N 475.615 2.138 10 20 JECD NS(=O)(=O)c1ccc(CN2C(=O)/C(=C\c3ccc([N+](=O)[O-])c(O)c3)SC2=S)cc1 726628369 WRDWVTLGWLEHGL-OVCLIPMQSA-N 451.507 2.349 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N[C@H]3CCN(c4cccc(OC)c4)C3)CC2)cc1 728219281 LBNASTQNEGHGDT-FQEVSTJZSA-N 453.587 2.404 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 728983706 CQOHOMJOVXANHR-HNNXBMFYSA-N 463.556 2.039 10 20 JECD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c2ccccc2O1 747017417 GIBCSKWIRGMUQL-JOCHJYFZSA-N 450.539 2.006 10 20 JECD CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1 748486380 QWDLPVCGWSXHOV-UHFFFAOYSA-N 453.520 2.468 10 20 JECD Cc1ccc(C(=O)OCC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)n1C 753850733 HPZRXLKBOLIYSP-VCHYOVAHSA-N 487.559 2.237 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(C(=O)c4ccc(O)cc4)CC3)CC2)cc1 916196363 CJGFGSSBEJWPHI-UHFFFAOYSA-N 481.597 2.081 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3ccccc3OC(F)F)cc2)C1 918371361 HBCWQRXFXDFWEM-MRXNPFEDSA-N 460.481 2.036 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccn(-c4ccccc4)n3)CC2)cc1 918763996 RNRGIZDQRCLXLE-UHFFFAOYSA-N 462.554 2.148 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H](C)NC(=O)c3ccco3)cc2F)C[C@@H](C)O1 918797811 DLPHYWVPYJITOW-XHSDSOJGSA-N 461.490 2.010 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)C1 1778123877 HNFOOOGUFGOEKJ-HSZRJFAPSA-N 495.960 2.062 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1782009027 OHLSRCJCMHJZRO-JOCHJYFZSA-N 474.876 2.295 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)ccc1O 1787540118 GFIDTJZBUPLIGU-LEDOBFOHSA-N 476.533 2.087 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2cccnc12 1797331298 YPKKJVNFINTEEU-MUJYYYPQSA-N 454.577 2.347 10 20 JECD CC(C)(C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1803070491 IDNOSZHQUQSTPX-SXSPYAJSSA-N 477.565 2.287 10 20 JECD CCN1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CC1 1804492224 RLXSLBWUYPYQQV-NUZGMZIFSA-N 451.571 2.149 10 20 JECD NC(=O)c1ncccc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1804811937 GHURBGPKNBFWAT-XOBRGWDASA-N 495.923 2.274 10 20 JECD C[C@@H](NNc1ccccc1)C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1804882857 WMCTYHAWZYRQOZ-QGZVFWFLSA-N 489.667 2.083 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2[nH]cnc2-c2cccnc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996094 XVBVDNQFLLOIEV-HXOBKFHXSA-N 485.504 2.306 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1c[nH]c2nccc-2c1 1808082458 GSYZJMSSFOVANG-OXQOHEQNSA-N 494.602 2.089 10 20 JECD C[C@H](Cn1ccnc1)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813415239 JKCRKVYPKZKRDC-ZHGLZYCTSA-N 491.548 2.450 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)C1Cc2ccccc2C1 1814280475 YVVTVKDZQLDLGV-WMZHIEFXSA-N 494.642 2.363 10 20 JECD CN1CCC[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1815493420 BKJGDBMQQWFPRR-LHWQUMODSA-N 455.515 2.326 10 20 JECD Cc1ncoc1C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364832 ZYQYOQOTNSTYIB-ZDUSSCGKSA-N 464.507 2.458 10 20 JECD C[C@H](Nc1ccccn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1819622393 IBGCFMVGZLRKMK-DZGCQCFKSA-N 487.611 2.158 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@@H]1CCCSC1 1823458782 NBLPYHFPLOFHOK-OCCSQVGLSA-N 467.642 2.405 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C3CC3)on1)CC2 1828243799 WFFNSBHVOKKPHG-SNVBAGLBSA-N 477.593 2.095 10 20 JECD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)n1ccnn1 1831176893 HBGFNDJFOPZCKR-NRUXISPGSA-N 469.542 2.289 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@]2(F)Cl)CC1 1831961978 FLJUTHRSNXYZPM-BIENJYKASA-N 462.012 2.391 10 20 JECD Cc1cc(C)n(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)n1 1832105574 NGOHWOVSRMMMLI-LJQANCHMSA-N 491.683 2.370 10 20 JECD CCc1oncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898272 IQWOYHNFCBMOGH-INIZCTEOSA-N 464.613 2.331 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)[C@H]1C[C@@H]1C1CC1 1833249137 FPQCRBCPVSSVQZ-PKTZIBPZSA-N 477.609 2.397 10 20 JECD O=C(/C=C/c1cccs1)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1834812431 CZANTLAHCHCDKJ-ONEGZZNKSA-N 492.692 2.193 10 20 JECD CC[C@H](NC)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837915043 CCMJFAPZUOHOOA-SFHVURJKSA-N 453.967 2.361 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)c2cocn2)C1 1842545477 FVVKKAXPJOBPOP-MRXNPFEDSA-N 486.525 2.039 10 20 JECD O=C(c1cccc(Br)c1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250528 IXPLQUAEIIPXKU-UHFFFAOYSA-N 477.271 2.294 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC12CN(C(=O)C1(c3cccc(Cl)c3)CC1)C2 1847055673 JHTVSKCMNSHLEX-UHFFFAOYSA-N 464.012 2.435 10 20 JECD CCN(C(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)[C@@H]1CCS(=O)(=O)C1 731037237 YDVCQGIZGXSGGD-LJQANCHMSA-N 465.616 2.500 10 20 JECD NS(=O)(=O)c1ccc(NCCC(=O)NCc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1 742475945 PPARZAMIUJWPMB-UHFFFAOYSA-N 461.544 2.351 10 20 JECD CC(=O)Nc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(F)cc1F 743392065 UYLGYFXQQLESLL-UHFFFAOYSA-N 460.481 2.387 10 20 JECD COc1ccc(N2CCN(CCCNc3ccc(S(=O)(=O)N(C)C)cc3[N+](=O)[O-])CC2)cc1 746990071 NOSLNPQZAIRTRN-UHFFFAOYSA-N 477.587 2.478 10 20 JECD CCOc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OCC 751368582 LQUGMCGZELBGAB-GOSISDBHSA-N 491.610 2.476 10 20 JECD CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1 906486030 PRTIDXCSYPPTQD-UHFFFAOYSA-N 451.551 2.454 10 20 JECD CC(=O)c1cccc(S(=O)(=O)NCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 916566382 WPHLNSPIHRDRBV-JOCHJYFZSA-N 473.595 2.441 10 20 JECD C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 917708685 MZZTURFTDVXYSA-VWLOTQADSA-N 466.513 2.278 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cc2F)C[C@@H](C)O1 918288428 VFHCREYBWPVBKK-CALCHBBNSA-N 486.544 2.161 10 20 JECD O=C(COC(=O)c1cnn(Cc2ccccc2)c1)NCc1ccc(N2CCOCC2)c(F)c1 918907953 SKOCNPQLSDMLRQ-UHFFFAOYSA-N 452.486 2.380 10 20 JECD Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c3cnn(C)c3)c2C)c1 919128254 DZSDFXBXJJVMMQ-UHFFFAOYSA-N 458.540 2.149 10 20 JECD COC(=O)c1nc2nc(C)cc(NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)n2n1 919723472 QEFWMYGELYFENF-UHFFFAOYSA-N 477.504 2.087 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4cnccc4n3)C2)C1 1777736488 HVUWPEXCRWCQMM-HSZRJFAPSA-N 468.897 2.452 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cnn2c1CCC2 1781287774 XGNITAJKIRCFPA-AUSIDOKSSA-N 474.945 2.335 10 20 JECD C[C@H]1CC[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)CC1 1782686684 HQPFYHCNXDXNNT-PEOGOYOCSA-N 467.657 2.187 10 20 JECD Cc1cscc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783248216 SCYKLTPYECLNNE-FOIQADDNSA-N 467.638 2.044 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc(Br)cc1F 1783743840 RMIDMQUAWAIGAW-KCTSRDHCSA-N 494.317 2.302 10 20 JECD COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1F 1784705387 NNUYCBSWGAFQPV-OGPASDKVSA-N 486.496 2.037 10 20 JECD Cc1cc(F)ccc1C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1785251252 STUSARPJRDAAND-VWLOTQADSA-N 464.497 2.371 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1793865674 DCISIBYTFNYHDA-NHPUWBORSA-N 487.553 2.464 10 20 JECD COC(=O)[C@H]1CCC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1796935040 QHKTZXZVOBNTKU-MTFRMWQMSA-N 480.565 2.397 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc[n+]([O-])c2)C3)cc1 1799620081 OMGQBAUQQPNXPJ-ACHVPNTGSA-N 460.534 2.245 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cnc2cc(Cl)ccn12 1804333173 CPPVWTFKUWZONI-BTTYYORXSA-N 477.999 2.100 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)nn1C 1805588192 GBLAXPIBQZFITK-DVECYGJZSA-N 485.548 2.236 10 20 JECD COC(=O)c1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)s1 1807999251 JZSVULJZDRUBQX-NYHFZMIOSA-N 496.545 2.298 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cnn2ccccc12 1809075476 ZWZSVAZXIVLFLJ-OPAMFIHVSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCn2cncn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811809694 OSTLUAOZMAJKLK-FOIQADDNSA-N 470.917 2.148 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc2cccnn2c1 1812188314 BGNLMRAFJAGSDO-KSFYIVLOSA-N 458.478 2.169 10 20 JECD CC(=O)Nc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1813894580 DGINEDTYYSKDRA-MBSDFSHPSA-N 475.505 2.480 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)C3CCOCC3)sc2C1 1814196547 GPNSYZIAILJONH-XCVZWFEFSA-N 459.524 2.312 10 20 JECD Cn1cnc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)c1 1816576152 HQYVZQCKHIWOSO-IQIBNGDESA-N 452.471 2.279 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cncn1-c1ccncc1)CC2)c1cc(O)nc(O)c1 1816720873 BXLDRHVIZUQBAB-ZDUSSCGKSA-N 477.506 2.070 10 20 JECD NC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)c1ccccc1 1817844799 MITLMPZUNJGIRY-SJLPKXTDSA-N 450.499 2.264 10 20 JECD CC[S@@](=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1819521886 IKIHTNOUOKYOEY-NIWRJRPTSA-N 479.580 2.044 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnn2)[nH]n1 1823476350 YNLZMWJXLOKJSA-DYLHUKMJSA-N 450.455 2.336 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708224 OJCAAODYSHPXQZ-KOLCDFICSA-N 487.987 2.114 10 20 JECD O=C(CCN1CCOCC1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708603 JVZZMHRTNBVFRJ-CYBMUJFWSA-N 480.974 2.156 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)Cc2cnc3ccccn23)CC1 1824153996 SZJVNXYVNKBHFY-LJQANCHMSA-N 499.662 2.357 10 20 JECD O=C(CN1CCCC1=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877272 BZOOGUITUJLMBF-QRBZPYHOSA-N 471.554 2.059 10 20 JECD O=C(c1ccnc(F)c1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896447 ITOVLGVVMKXLES-MRXNPFEDSA-N 464.588 2.314 10 20 JECD O=C(c1cnn2ccccc12)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902025 ICNZZJUHBUAXDF-SFHVURJKSA-N 485.635 2.428 10 20 JECD O=C(Cc1ccccn1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902116 KXVYFTCBWOHQJE-GOSISDBHSA-N 460.625 2.104 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1cc2ncccn2n1 1835543176 RKQGUXAEVPWZPY-UHFFFAOYSA-N 498.971 2.293 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc[nH]4)C3)C2)cc1 1839348923 UFALGOLGMOKMGC-VWLOTQADSA-N 463.538 2.201 10 20 JECD CN1CCN(c2ccc(C(=O)N3CC4(CCCN4C(=O)/C=C/c4ccc(O)c(O)c4O)C3)cc2)CC1 1847035219 TYUSEEWHUOGJIP-UXBLZVDNSA-N 492.576 2.086 10 20 JECD CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1)c1ccc(O)cc1 1847266190 GSMQMGUYEGIEPB-BBTUJRGHSA-N 498.536 2.280 10 20 JECD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847554502 VQUXCKOXONVAFW-PXBYHQFGSA-N 472.538 2.388 10 20 JECD COc1ccc(N2CCN(C(=O)CSc3nc4ncccc4c(=O)n3C[C@@H]3CCCO3)CC2)cc1 108202020 FMGGVIJTTPLISA-FQEVSTJZSA-N 495.605 2.420 10 20 JECD O=C(COC(=O)c1cscn1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 728335552 ABJAATFKJMPGNW-UUASQNMZSA-N 477.545 2.046 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 742921123 YGIKIINLBBWSCH-UHFFFAOYSA-N 471.623 2.286 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)CC2)cc1 916196317 AQCBZRLUQMIAPQ-SFHVURJKSA-N 457.541 2.391 10 20 JECD O=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)NCc1ccc(N2CCOCC2)c(F)c1 917566896 VKTXWLYCLOMYIK-UHFFFAOYSA-N 454.424 2.432 10 20 JECD C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccc(N3CCOCC3)c(F)c1)C2=O 917707553 NISHWNARNKDLGF-FYSMJZIKSA-N 460.550 2.415 10 20 JECD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918285130 ZXIZWUBRLKLNRC-UHFFFAOYSA-N 454.502 2.118 10 20 JECD Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 919301575 YNOQMHXVQKQJKS-UHFFFAOYSA-N 483.544 2.271 10 20 JECD O=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919697642 DWIPEHHOAFQXTM-UHFFFAOYSA-N 499.550 2.482 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 919792164 QEPXYVPOKYLLBG-UHFFFAOYSA-N 485.031 2.454 10 20 JECD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 920880310 CLPTXUQBKKZBIZ-IQGLISFBSA-N 450.539 2.476 10 20 JECD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 1335808866 YETNZVNVIORMFQ-GVDBMIGSSA-N 479.574 2.028 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)C2)C1 1777791046 PLFVEBBNEWYIOW-NRFANRHFSA-N 493.010 2.125 10 20 JECD Cc1nc2ccc(F)cn2c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1781274967 BPOLQPQKIBXDAU-MZNJEOGPSA-N 483.500 2.029 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@H]1[C@H]2SC=C[C@H]21 1781538085 XQFKSTXZJNDCEI-GUAXBSNNSA-N 472.563 2.206 10 20 JECD COc1cccc(/C=C/C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c1 1781944047 QEVSTDDPBLRTMC-QLMCZUKDSA-N 467.522 2.342 10 20 JECD CN(C)c1cccc(OCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1782003456 JFBPMNFBEAFSCZ-DEOSSOPVSA-N 489.956 2.340 10 20 JECD CC(C)c1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)CN2C(=O)CSC2=S)CCO3)cc1 1783430078 YDCCCUUOOXQZEE-HSZRJFAPSA-N 475.636 2.043 10 20 JECD Cc1ncccc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1785125231 LCXRXDYYYLQUHC-SSPYTLHUSA-N 489.576 2.095 10 20 JECD COc1cccc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1F 1785297303 GUZCOOHNRXBPEH-RUZDIDTESA-N 480.496 2.071 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc(Cl)nc1F 1785489943 QIANKIDKRVRFQC-FZKCQQSSSA-N 491.903 2.298 10 20 JECD Cc1nccn1[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1791705267 UQTNFXIHEQMDLV-AGLNLLDASA-N 462.934 2.111 10 20 JECD Cc1c(Br)cc(F)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1798602752 MUXQHBPAYLHKIL-DBWKPXFBSA-N 494.317 2.220 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@H]1CCc2ccccc2O1 1800955592 VPSWRMMDGZRXGN-VAKZPMALSA-N 472.925 2.348 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCOC1 1803231021 LZEOWPXZKUXDQB-MIUGBVLSSA-N 486.613 2.379 10 20 JECD CC[C@H](C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1803611570 DIXYUNXVCQCSKO-QOYWPIMFSA-N 477.565 2.287 10 20 JECD CC(C)N[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)C(C)C 1807328586 GOPGLJZKHIHZGV-VOQZNFBZSA-N 455.559 2.230 10 20 JECD CC(C)N[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)C(C)C 1807993362 IVRTZNJCPWZYTO-BULFRSBZSA-N 455.559 2.230 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998609 NBAJECFMLPWRJL-MWTRTKDXSA-N 495.467 2.497 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811805565 AYJPTSOQEXEKJC-IAMHBRQHSA-N 472.929 2.157 10 20 JECD CCC1(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)COC1 1814166068 NGWHDTJZYKBGIV-SFYFWLEPSA-N 467.522 2.344 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)CCC(F)(F)F)[C@@H]1c1cccnc1 1814185837 GRHYGGZKUQLKBZ-CXAGYDPISA-N 474.530 2.290 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc3n[nH]cc3c2)[C@H]1c1cccnc1 1814189104 LZMGYTONKWYFPU-KKSFZXQISA-N 494.602 2.138 10 20 JECD COc1cnc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)cn1 1818146638 VFAHRNMMYSUMCL-LJQANCHMSA-N 488.508 2.307 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2S)[nH]n1 1823496100 DKBXGFLDQCWHPE-CYBMUJFWSA-N 476.609 2.260 10 20 JECD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429012 NHRNXKMLARBFMN-XUVXKRRUSA-N 471.554 2.482 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1827696001 IYBBVGFPBXFHDO-ZBFQTADNSA-N 473.570 2.303 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)no2)CC1 1829367761 JGWBHTQTEWKICS-YERXGYGTSA-N 457.483 2.444 10 20 JECD O=C([C@H]1CCCS1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900391 RSOWZCOVNBTRAN-HZPDHXFCSA-N 455.671 2.362 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cncs3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132880 WWVRWVKAZOWZRC-UHFFFAOYSA-N 480.594 2.121 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1839431664 HBMTWQIKKXQMEY-QFIPXVFZSA-N 477.901 2.000 10 20 JECD CC1(C)CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)C1 1839433395 UJALATNQBZIFEK-QFIPXVFZSA-N 452.935 2.257 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)CN2CCCCC2)C1 1842819300 XCBQBVBUGOLOFV-JOCHJYFZSA-N 499.656 2.394 10 20 JECD COc1cc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)cc(Cl)n1 1847038151 BFTDVZLNOHNWBN-GQCTYLIASA-N 459.886 2.391 10 20 JECD Cc1ccoc1C(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 25628774 BWNNPGMSFHFLLR-CXUHLZMHSA-N 474.516 2.491 10 20 JECD CCN1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(OC)c(OC)cc3F)cc2F)CC1 730681254 LDVSZIGIZDUALK-UHFFFAOYSA-N 462.497 2.379 10 20 JECD CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)cc1F 731356325 BBCNGKUCYVMBIX-JOCHJYFZSA-N 478.546 2.214 10 20 JECD C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)C[C@@H](C)O1 918310007 IYGPAJOKCDIEDY-WOJBJXKFSA-N 494.592 2.370 10 20 JECD COC(=O)c1cc(C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)n(-c2ccccc2)n1 1326327329 ARXCOUYNGOREBG-UHFFFAOYSA-N 478.505 2.173 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1779362045 MCIXYTVSXAFMPZ-OAQYLSRUSA-N 483.855 2.065 10 20 JECD CC(C)=CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1780661152 NRDYIIYXFXZUSA-IIBYNOLFSA-N 453.630 2.107 10 20 JECD CCC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781123530 TZQWBTSCMBGPNO-LYHRCORUSA-N 481.977 2.184 10 20 JECD O=C(/C=C/c1cccc(O)c1)N1CC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1783272406 OGXFFDCZVSGXHW-ZMXFDXOUSA-N 474.517 2.028 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCCC1(F)F)CCO2 1785503847 SEMLGKCZIFNOBN-QYUAPJNHSA-N 466.481 2.472 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1785510155 PCMJHTBSIYNJBX-KFVKGYIZSA-N 490.896 2.025 10 20 JECD COc1cccc(-c2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)c[nH]2)c1 1787290173 HQYCZMOQHWPCNB-BUKVSMQUSA-N 492.532 2.404 10 20 JECD Cc1cc2cccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)c2[nH]1 1787963686 KXIGCOJVDYAQJN-SNRMKQJTSA-N 450.495 2.190 10 20 JECD O=C(NC1(c2ccc(NC(=O)c3cnc(O)nc3O)cc2)CCC1)C1=NN(c2ccccc2)C(=O)C1 1788564253 OUPALTYGANCBOM-UHFFFAOYSA-N 486.488 2.428 10 20 JECD O=C(Cc1ccc(F)cc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1790979074 NMOIZHGQWNRBFS-YYGFXEKPSA-N 488.487 2.317 10 20 JECD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)[nH]c2c(Cl)cccc12 1796138266 OLFLNXZSMNKNPF-VTEUUUEMSA-N 470.913 2.453 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1N1CCCCC1)C2)c1cc(O)nc(O)c1 1796140672 VIEMEPNXVFEVHS-FEJSZKPUSA-N 466.538 2.000 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796600945 UIXFGXJVEYULSB-KATBDVFWSA-N 478.521 2.094 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)[C@H](O)c1cccc(Br)c1 1796604944 XIULFCPOFCWJHS-YYAJDYIMSA-N 476.327 2.241 10 20 JECD CC(=O)N/C(=C\c1ccco1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1800603429 BCBPSGGNRSUNDS-CWVOJPKUSA-N 481.505 2.225 10 20 JECD CC(C)c1cc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)no1 1806013793 VMLAIHFQIYLNDN-YWZLYKJASA-N 487.607 2.373 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccn3nccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808000643 NXEJQADBECSENM-KSFYIVLOSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccc2c[nH]nc12 1808057783 BDSQHHMTCJEFQR-ZHRRBRCNSA-N 458.478 2.398 10 20 JECD CCc1[nH]nc(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)c1Cl 1810229999 GVOWAWIDILMRDJ-UHFFFAOYSA-N 484.047 2.331 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(-n2ccnc2)ccn1 1811583072 SZZBMRLIRDYEKW-GAJHUEQPSA-N 485.504 2.102 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)nn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811797269 CNRAEFHHGGQBNN-ORAYPTAESA-N 469.885 2.275 10 20 JECD CCOC(=O)C1(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)CC1 1812468860 LEBZGZFKXUNCOA-HQWUWBFJSA-N 495.532 2.261 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)n1cccn1 1813423698 YKTYMIKBBIANAK-DRMXPCRNSA-N 485.548 2.338 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)Cc2ccc(O)cn2)[C@@H]1c1cccnc1 1814167105 XHHPBAVFTQAYII-STNXAFIHSA-N 490.516 2.261 10 20 JECD CCc1ncccc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814185811 UXXVBXWWGCWBAK-HRAATJIYSA-N 483.619 2.219 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cccs2)[C@@H]1c1cccnc1 1814186695 VYFHCQRCKKBMCE-RDTXWAMCSA-N 460.606 2.323 10 20 JECD O=C(CCc1ccccn1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816009438 BZMWNCWSERQLGB-INIZCTEOSA-N 472.596 2.290 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(CO)c(F)c1)CC2)c1cc(O)nc(O)c1 1816728112 JANGPTXOMAWNEV-CYBMUJFWSA-N 458.471 2.120 10 20 JECD CC(C)NCCC(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362255 JHRTZZXWIXJYRN-HNNXBMFYSA-N 468.583 2.236 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145734 IAZDYVPHJHDUMX-DNVCBOLYSA-N 479.541 2.109 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnsn2)[nH]n1 1823476604 JOLFTJXMUWUBSM-DYLGSBMWSA-N 456.484 2.397 10 20 JECD Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)o1 1823500967 KIRRPPBXMPLPQC-OAHLLOKOSA-N 461.569 2.406 10 20 JECD Cc1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1825846486 YRXBTYBXEFWESG-GOSISDBHSA-N 460.625 2.484 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3ncncc3c1)CC2 1828244905 WPRJTABQDWRPQK-ZDUSSCGKSA-N 498.615 2.172 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1ccc(CO)o1 1835929089 JOCAVYYMWVZVHJ-UHFFFAOYSA-N 477.945 2.336 10 20 JECD Cc1cccnc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432229 HNVHYVGGVMLJQI-DEOSSOPVSA-N 489.956 2.157 10 20 JECD CCCCCc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)s1 1839688105 FGMRFPNMFGYMBE-HSZRJFAPSA-N 490.582 2.066 10 20 JECD C[C@@H](Cc1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840471822 KVWBKFZVHNUSSE-NPMXOYFQSA-N 478.929 2.293 10 20 JECD CC(C)(C)OC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249821 DEBCXPDJVIKSDK-MRXNPFEDSA-N 492.573 2.018 10 20 JECD O=C(c1cc2cc(Br)ccn2n1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250089 JYTONVOXYWWUGL-UHFFFAOYSA-N 472.299 2.034 10 20 JECD O=C1Nc2c(cccc2C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1=O 1845501382 JQIIKIFCPGEVHD-UHFFFAOYSA-N 455.854 2.017 10 20 JECD Cc1onc(-c2ccccc2)c1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056199 ZKHFKKPVUWOPGK-UHFFFAOYSA-N 470.576 2.327 10 20 JECD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c(O)c(Cl)c1)C(=O)c1ccccc1 1847730451 NLIUDWFCYVRKDE-ROUUACIJSA-N 457.914 2.339 10 20 JECD Cc1cc(C(=O)COC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9396596 IAAXWLDSMVISET-UHFFFAOYSA-N 487.490 2.455 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(OC4CCCC4)nc3)cc2)C1 727037849 KFYOQZSGZFUMAF-GOSISDBHSA-N 465.554 2.360 10 20 JECD O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 748460894 NAHUMVRTLWOASD-UHFFFAOYSA-N 469.561 2.200 10 20 JECD CN1C(=O)c2ccc(S(=O)(=O)Nc3nc(-c4ccc(S(C)(=O)=O)cc4)cs3)cc2C1=O 861959475 AGDGAATULQBVCF-UHFFFAOYSA-N 477.545 2.240 10 20 JECD CNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 913363306 PKQFZTUCFKVGAC-SZJBZFAYSA-N 486.369 2.038 10 20 JECD CCN(CC)C(=O)N1CCC(C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 915553498 XGMOZALTOAXSON-UHFFFAOYSA-N 460.575 2.061 10 20 JECD CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1OCC 918463592 LFMBLFMJNXTSAG-GOSISDBHSA-N 468.554 2.441 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cc3nnc(O)c4ccccc34)cc2F)C[C@H](C)O1 918952110 DZPCWUKDLBCBDH-HOTGVXAUSA-N 482.512 2.490 10 20 JECD C[C@H]1C[C@@H](C)CN(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919729598 JWJIPPGMIBUDTN-HDICACEKSA-N 462.595 2.255 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1[nH]cc2c1CCC2 1780007396 DOTSXVZUPXBLII-AJTFRIOCSA-N 489.576 2.424 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)c3F)C2)C1 1780808782 QUDABWLSUDZBSU-XMMPIXPASA-N 468.460 2.201 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)C(=O)NCC(C)C)CCO3)C2)cc1 1781753794 RBPPCWUZNVQHNM-AREMUKBSSA-N 466.582 2.310 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3-c3ccccc3)C[C@@H]21)c1cc(O)nc(O)c1 1787291739 CLMRMZKWHZEWJD-YYWHXJBOSA-N 474.517 2.462 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC3)C[C@@H]21 1787400775 WMXDFPRMWRFBIL-UVUJQTEASA-N 486.613 2.094 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@H]1[C@H]2SC=C[C@H]21 1790630644 IVXYLLHDWAHPJR-DFUQVGCNSA-N 450.944 2.220 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1)c1cc(O)nc(O)c1 1793026364 JRJZMIOWCFFKSO-YRPNKDGESA-N 482.512 2.189 10 20 JECD CCOc1ccc(Cl)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1799616477 UATQMULURRPMRU-VTEUUUEMSA-N 461.902 2.062 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cnn2cccc(F)c12 1800123609 CCRCSSWWWOAHAH-IVWMJMPLSA-N 474.876 2.055 10 20 JECD CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1801934132 FKUDULIKCWAPKI-ROMYGOLLSA-N 486.569 2.392 10 20 JECD O=C(CCCc1ccncc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1804602703 XUJQPQUIWONBDC-AUSIDOKSSA-N 497.646 2.366 10 20 JECD CC(=O)c1cc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n[nH]1 1805256803 VGJAZZAGQSSWNE-MHECFPHRSA-N 499.531 2.120 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(-n3cnnc3)cc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992590 CXJBOVIJDACCND-WZONZLPQSA-N 485.504 2.102 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808002612 WVYOVVWIHVRZMJ-NPMXOYFQSA-N 495.467 2.497 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccon2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468789 YARATYQHWMEYHX-HTAPYJJXSA-N 458.478 2.182 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1cc2n(n1)CCC2 1809981458 MBWBBCQZZWNFFP-KBMIEXCESA-N 497.559 2.337 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cccnn2)[C@H]1c1cccnc1 1814163500 FARMGSDHIXTYCI-SAWCTTBHSA-N 461.478 2.021 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814189646 VBLJCEXUSAFTGZ-FKKBTLCVSA-N 460.625 2.384 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)CCCc2cccnc2)[C@H]1c1cccnc1 1814192891 YBVLEOKCPSPTTQ-CVDCTZTESA-N 497.646 2.366 10 20 JECD CC(=O)N(C)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815580905 DQPPXFLBNUSJJD-HXUWFJFHSA-N 479.541 2.063 10 20 JECD Cc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)[nH]1 1817362955 CSMYBLHPKQFBOQ-CYBMUJFWSA-N 463.523 2.193 10 20 JECD CC(C)OCC(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817363128 GCRWGUDTSINHCQ-AWEZNQCLSA-N 455.540 2.273 10 20 JECD CCc1cnc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)s1 1820181398 ZHIUDTISQCRVOB-VIFPVBQESA-N 481.650 2.248 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(Cl)cc4nn[nH]c34)sc2C1)c1cc(O)nc(O)c1 1821441621 USXPGWRKXBDNDV-JTQLQIEISA-N 485.913 2.414 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2)N1CCN(C)CC1 1822692552 JPRSVRHMFIYOOA-OCCSQVGLSA-N 494.017 2.069 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1825689087 HIFPGPLYSXJWNH-ZIGSKRJUSA-N 479.562 2.416 10 20 JECD CC(C)(C)c1cc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)[nH]n1 1828244618 LPKPCPVHLIIECY-JTQLQIEISA-N 492.652 2.250 10 20 JECD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)c1ccccn1 1828249595 KJRAMTRNUKNLJH-RYUDHWBXSA-N 475.621 2.114 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3(F)CC3)C2)C1 1829037482 MOJKLAXUXCBAAX-XMMPIXPASA-N 498.511 2.061 10 20 JECD O=C(c1ccc(CO)c(F)c1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899977 GQZRLGIVNXILBE-LJQANCHMSA-N 493.626 2.412 10 20 JECD CC(C)n1nccc1C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1835948592 ZTXQKIQLENGHPK-GQCTYLIASA-N 497.596 2.479 10 20 JECD CCOC(=O)O[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1836506409 FGYXRXNVXDOEQI-CQSZACIVSA-N 497.976 2.498 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)CC2)CC1 1836831351 JSXURHBDFGJEBQ-QFIPXVFZSA-N 494.548 2.298 10 20 JECD O=C(CCN1CCCC1)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838111547 BAFYPXXXGATPGO-UHFFFAOYSA-N 495.624 2.264 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)cc1)CCO2 1838960742 BFUQPNIHTSVNLS-CZDPRXMLSA-N 488.924 2.240 10 20 JECD Cc1cnn(CC(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)c1 1843098741 MMHSXHOMWXYATN-OAQYLSRUSA-N 496.612 2.113 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)CCc1cn[nH]c1)C2 1843330571 GTJANXVQJRGGDI-OAQYLSRUSA-N 496.612 2.264 10 20 JECD O=C([C@@H]1CCc2ccccc2[C@H]1O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441149 PGOHICZVNHBBDD-ZJSXRUAMSA-N 472.545 2.279 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)[C@H]2CCc3cccc(Cl)c32)C1 1845868227 REHGGALQMQNFSM-AWEZNQCLSA-N 464.012 2.434 10 20 JECD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 105452260 OECPBOATRQUUKE-UHFFFAOYSA-N 459.568 2.317 10 20 JECD CC(=O)N1c2ccccc2C[C@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 726660604 ASSCXXASMZFZGM-QHCPKHFHSA-N 495.557 2.445 10 20 JECD CS(=O)(=O)c1ccc(OCCCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 743633087 UILSKIAMSXNZOD-LJQANCHMSA-N 473.595 2.267 10 20 JECD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)cc2F)C[C@@H](C)O1 747841255 BHMRMPABQMJYHM-HUUCEWRRSA-N 462.547 2.108 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cn(-c4ccc(Cl)cc4)nn3)CC2)cc1 914997632 IWUCEEGILWOVGF-UHFFFAOYSA-N 455.902 2.435 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(N4CCCC4=O)cc3)CC2)cc1 915743784 OHKIXWJAEGMIGV-UHFFFAOYSA-N 479.581 2.089 10 20 JECD COc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2=O)c(OC)c1 917707494 JZOMIIYUZQMLIQ-KRWDZBQOSA-N 457.502 2.349 10 20 JECD CCNC(=O)COc1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 918032406 JVLYROZMVJDYQG-GOSISDBHSA-N 453.543 2.225 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCCCN3C(=O)c3cccs3)nc12 919055749 XAMWIVMXSQJFKC-HNNXBMFYSA-N 458.496 2.411 10 20 JECD CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 919778721 JDGHRVGROGHXLJ-HNNXBMFYSA-N 464.563 2.255 10 20 JECD CCN1C(=O)C(=CNc2cccc(S(=O)(=O)N3CCCCC3)c2)C(=O)N(CC)C1=S 920974229 DVTFKWMRKIQTNY-UHFFFAOYSA-N 450.586 2.153 10 20 JECD Cc1nc[nH]c1CSCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1778914229 PQUCZWJAXJQWLB-OAQYLSRUSA-N 480.974 2.160 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)cc1 1781753520 BTCYTDJCCKQFOK-VWLOTQADSA-N 464.522 2.332 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)C13CC(C(F)(F)F)(C1)C3)CCO2 1785503434 KKILGZNBSZUFJJ-ZDCCYTRZSA-N 482.455 2.379 10 20 JECD CCn1nc(C(C)C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785507883 XCKOHHZUCGPDAF-VQEXNLMWSA-N 484.553 2.300 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3snnc3C3CC3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243276 BWTOGDFOCGWPRT-RBOXIYTFSA-N 478.958 2.387 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccoc3)C[C@@H]21 1792217810 NZCRYFDJYPLINY-QCOOZLOCSA-N 454.479 2.103 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)c1Cl)C2)C1=NN(c2ccccc2)C(=O)C1 1796480811 JYTOONKBINMJJA-YEZVWNJWSA-N 484.915 2.475 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1797816775 OVNIJHQESQNZEI-MXASKKJJSA-N 460.531 2.002 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(F)(F)F)ccn1 1798880313 QDSXVWWZBDWGIZ-CLLJXQQHSA-N 472.514 2.213 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc(OC(F)F)cc1 1799587928 OWTZVVLBORCZCN-FAQVEIGNSA-N 498.486 2.284 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)c3ccccc3o1)C2)c1cc(O)c(O)c(Cl)c1 1799766992 LBYBKCQQLHXDPB-GFENJXEQSA-N 484.892 2.375 10 20 JECD COc1cccc2[nH]cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)c12 1800004252 AURUNERHORDQIQ-MODAACOMSA-N 493.516 2.210 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3scnc3c1)C2 1802079456 ADNKMEMDQYFNLG-NCLGQRILSA-N 481.530 2.330 10 20 JECD CN(C)c1cccc(OCC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1804228406 ZGYRDNDGTXJJFK-CJAUYULYSA-N 491.548 2.352 10 20 JECD O=C(Cn1ccnc1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1805883817 QTVRXXAUXOWTNM-QRWLVFNGSA-N 455.902 2.363 10 20 JECD Nc1nc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cs1 1807233740 ZAJZHOAUSLWJHJ-HRAATJIYSA-N 489.561 2.233 10 20 JECD CC(=O)Nc1ccccc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807999450 CIEUBXHSXDUTAX-SBUREZEXSA-N 475.505 2.480 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)cn2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468129 ONVRHCRQZCTNMQ-UUOWRZLLSA-N 484.516 2.295 10 20 JECD Cc1cnoc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808469161 IMWPFFLWUGFAHG-PGRDOPGGSA-N 472.505 2.491 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1cnn2c1CCC2 1812141734 QMQKVAHERXYQFW-DFBJGRDBSA-N 497.559 2.337 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1cncc(O)c1 1812908434 HVRLTSIICMUTJD-UUOWRZLLSA-N 484.516 2.295 10 20 JECD Cc1nn(C)cc1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162460 SFNRRVPBBJACCS-VSEMJTJDSA-N 477.521 2.273 10 20 JECD Cc1cc(C)nc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1814189487 QPYQIQSWJSRRDR-UWJYYQICSA-N 483.619 2.273 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cc3ncccc3[nH]2)[C@H]1c1cccnc1 1814190229 UGBJJRJSZGTYRG-VFNWGFHPSA-N 494.602 2.138 10 20 JECD Cn1nccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1816476684 ZHZHJDAWOYWVRA-GOSISDBHSA-N 460.498 2.242 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823710990 QGVYMPCYWZHFRF-BXKDBHETSA-N 466.947 2.300 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCSC1)CC2 1828248950 BVLACBPYYOJOEY-GHMZBOCLSA-N 470.667 2.059 10 20 JECD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(C)s1 1833150829 GQGKMIIZRMEEOA-QFIPXVFZSA-N 495.985 2.137 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nccn2C)CCO3)cc1 1834399228 KUUIDDVMGDIFNI-AREMUKBSSA-N 477.565 2.211 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc4cc(F)ccc4s3)C2)C1 1836418351 PCOALQZBMFECPT-HSZRJFAPSA-N 487.509 2.230 10 20 JECD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843440886 GDUUAJHHLGJIDT-VQHVLOKHSA-N 463.450 2.197 10 20 JECD C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)n1ccnc1 1847672941 QKYOPMPDZZLGCI-GFRNBQLOSA-N 496.612 2.364 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(F)cc1F 1847986695 MNCACUDXAIEZJZ-RXVFXRRZSA-N 451.520 2.040 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(-n2cnnc2)cc1 725889078 DPOGGKSGCVXXEE-UHFFFAOYSA-N 458.501 2.453 10 20 JECD CCOc1cc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)cc(Cl)c1OC 727178615 YLOUXDVTJSUPRO-LCYFTJDESA-N 450.991 2.498 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CN(C)C(=O)OC(C)(C)C)cc2F)C[C@@H](C)O1 727893798 PZORHMVAYXDKJZ-IYBDPMFKSA-N 467.538 2.466 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)c1 729039199 MOYVNPKMYZAZON-KRWDZBQOSA-N 455.559 2.494 10 20 JECD CCOC(=O)c1cnc(SCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)nc1N 917184044 AJOBNYNQNUCXLA-OKILXGFUSA-N 477.562 2.397 10 20 JECD CC(C)Cn1c(SCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nnc1N1CCOCC1 917199021 YYTJGVNFIWLRGV-UHFFFAOYSA-N 492.621 2.155 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)cc2F)C[C@@H](C)O1 918219096 DRDIQSXMURBOBN-ZHALLVOQSA-N 470.611 2.443 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(-n4cccn4)c(F)c3)CC2)cc1 918250300 PEZXXWCPLCCWBN-UHFFFAOYSA-N 480.544 2.287 10 20 JECD COc1cc2cc(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)[nH]c2c(OC)c1OC 918337867 QEKNLGHTVKAKRR-UHFFFAOYSA-N 473.551 2.359 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3ccc(F)cc3F)cc2F)C[C@@H](C)O1 918904396 AKUQYZLKMUNOPP-GASCZTMLSA-N 493.482 2.307 10 20 JECD O=C(COC(=O)CCn1c(=O)nc(O)c2ccccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O 918921885 JGTHXUBECSVWIL-UHFFFAOYSA-N 497.463 2.450 10 20 JECD COc1ccc(CN(C)C(=O)[C@@H](C)OC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1F 920635534 HLWRJGJIWLWSPG-GFCCVEGCSA-N 454.476 2.115 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnc(Cl)n1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127873 OFARZEAIKUGJHU-NTKDMRAZSA-N 496.955 2.050 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4ccccc4)nc3)C2)C1 1779894766 KPZUPUWTDDQJOP-XMMPIXPASA-N 496.614 2.052 10 20 JECD O=C1Nc2ccccc2/C1=C/C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782006953 BZZZRVBQUDSPHH-RBNQUJQMSA-N 483.908 2.230 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)C[C@@H]1C[C@@H]3CC[C@H]1C3)CCO2 1785510585 RGGWQLDTBZOBAA-FDFAMCIDSA-N 456.539 2.473 10 20 JECD CC(C)(C)n1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)n1 1785706107 VGQXWEBWOMXKFH-SBTJSFKZSA-N 484.553 2.062 10 20 JECD O=C(CN1CCOC1=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1786247020 UYKLFMRWWFMOME-UHFFFAOYSA-N 475.505 2.366 10 20 JECD C[C@H](Nc1nccs1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1787489160 NZHJECMPTRIVBR-GWIFVGGISA-N 480.974 2.302 10 20 JECD C[C@H](Nc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1788782604 WZKGYDBHJVZOJL-PWDMQXDWSA-N 474.945 2.240 10 20 JECD C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1790948626 JEGIHPXAQVAMMF-XPMVEEBHSA-N 482.533 2.264 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(F)(F)F)C[C@@H]21 1792218496 IFAXIPSNIIXWHD-WLNPAGQUSA-N 458.433 2.139 10 20 JECD C[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)CC=CCC1 1796482580 KTSORLSYRRSOBH-UZIDKSDLSA-N 450.539 2.115 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccc2cncn2c1 1796934488 JWRSKKJFXWNEJK-FNLKRUPLSA-N 456.506 2.379 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)COC3)C2)c1cc(O)c(O)c(Cl)c1 1799768024 CERVQAYUAXAVEE-XEMDLRDOSA-N 458.898 2.298 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3n[nH]cc3c1)C2)c1cc(O)c(O)c(Cl)c1 1799768067 IKFWRWSQSJGTBX-CCWDJLKJSA-N 456.886 2.145 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]c3nccc1-3)C2)c1cc(O)c(O)c(Cl)c1 1799768499 SZACPBJJYLITOK-IVWMJMPLSA-N 456.886 2.096 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1ccccc1C(=O)OCCO 1800716732 ZOYJZTCRLZJJOG-MUJYYYPQSA-N 488.924 2.466 10 20 JECD O=C(CN1CCCC1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1802560302 HYGORRCRLVJXLW-BIUKZJPMSA-N 466.538 2.013 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCOC1 1803231025 LZEOWPXZKUXDQB-TXZRGUEPSA-N 486.613 2.379 10 20 JECD CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)N(CC)CC 1803705806 KUMQZNDDJNUAML-UEXGIBASSA-N 491.683 2.068 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)[C@H]1Cc2ccccc2CN1 1804286519 TYDDHBJDTOBVPM-JGHWMNSHSA-N 463.534 2.169 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cn2ccc(Cl)cc2n1 1804333205 HQJUJLFBLMAKJX-BTTYYORXSA-N 477.999 2.100 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC2(CCCN(C(=O)[C@H](O)c3ccco3)C2)CC1 1804887317 VBFXQKVKRNZHDX-JOCHJYFZSA-N 464.522 2.337 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cncnc1 1805795030 OWDMKAFTXHMOKJ-RKUWUGLRSA-N 461.478 2.021 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccc2[nH]ncc12 1808031898 PZDDFNDSPUQHDT-QRQCRPRQSA-N 458.478 2.398 10 20 JECD CN1CCCC[C@H]1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162481 SRJBUHSLZXKQAG-BNQHHVCDSA-N 480.565 2.402 10 20 JECD CC(C)(C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162886 XSTLUUIFPKFVNK-SKNXOZNESA-N 469.538 2.325 10 20 JECD CO[C@@H](C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccc1 1814186801 XMKSABOBBLLRBL-BVYCBKJFSA-N 498.630 2.335 10 20 JECD Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)o1 1814190853 AZACZIQLLUENRD-IERDGZPVSA-N 472.592 2.092 10 20 JECD Cc1ccc(S(=O)(=O)CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cc1 1817008521 MEVHHEXXSHCOOF-SFHVURJKSA-N 499.549 2.304 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3Cc4ccccc4O3)sc2C1)c1cc(O)nc(O)c1 1818778412 QBEHKSVDJIXNEG-BBRMVZONSA-N 452.492 2.179 10 20 JECD O=C(C[C@H]1CNc2ccccc2O1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1819657239 MRXKZNBYMDDUSR-KBPBESRZSA-N 481.534 2.438 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCOC2=O)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821291345 MHTNOKDZLDTHOI-AWEZNQCLSA-N 463.878 2.232 10 20 JECD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1)n1ccnn1 1823475916 JZZCOFUURFEMJI-BHDDWZGFSA-N 467.486 2.085 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714806 IEGHXCAHCDTOOB-GMAHTHKFSA-N 481.597 2.314 10 20 JECD CSCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1831538558 WGRCJEIMUPOSEK-OAQYLSRUSA-N 472.991 2.210 10 20 JECD O=C(c1nccs1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898155 BYLCUQZQFSNXEC-AWEZNQCLSA-N 452.627 2.237 10 20 JECD Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)c(C)n1 1838513791 WSFUEWGVNWTQEI-UHFFFAOYSA-N 490.651 2.171 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc(F)ccc2Br)C1 1841167749 PBHCRKKUXKWLEA-UHFFFAOYSA-N 486.388 2.266 10 20 JECD CC(=O)c1ccc(OCCCC(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)cc1 1841438535 FWDBDKVBKIXQHB-UHFFFAOYSA-N 453.495 2.372 10 20 JECD Cc1cc(C(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)c(C)n1-c1ccc2c(c1)OCCO2 14172198 SWSAIBYCIWFJIM-UHFFFAOYSA-N 476.551 2.263 10 20 JECD Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C)n1-c1ccc(Br)cc1 728698281 MZPWQOUYHDVJHK-UXHICEINSA-N 496.427 2.084 10 20 JECD CCOC(=O)C1CCN(C(=O)CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 728949596 TXLNSCXDMVCPLT-ROUUACIJSA-N 492.592 2.382 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccccc3C(=O)N3CCCCC3)CC2)cc1 743432242 KVAAGXYBBWGVPR-UHFFFAOYSA-N 493.608 2.198 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(CC(=O)Nc3ccccc3)CC2)c1 818269996 VBMQBVPZJDDRFU-UHFFFAOYSA-N 466.582 2.183 10 20 JECD O=C(CN1CCN(C(=O)c2cccc(Cl)c2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 916976581 TZPVECVHJIAYQT-UHFFFAOYSA-N 474.964 2.390 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CSc3nnc(C(F)(F)F)n3N)cc2F)C[C@@H](C)O1 917171820 UAXOTHAOYZUXTF-GHMZBOCLSA-N 462.473 2.172 10 20 JECD CCN(CC)Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 918464565 BCJQVZABVQEHFO-NRFANRHFSA-N 465.598 2.485 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(OC[C@H]4CCCO4)c3)cc2)C1 918466050 XMJIGPWIZRRRGM-WMZHIEFXSA-N 480.565 2.201 10 20 JECD Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)cc1C 1780402655 ADWZXPYXKWMUTP-WZONZLPQSA-N 475.636 2.291 10 20 JECD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(O)c1OC 1781831448 YTBYMQMTYWFRJX-QHCPKHFHSA-N 492.912 2.231 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ccccc13)CCO2 1782005652 SWLDFCARDWRICZ-JOCHJYFZSA-N 456.886 2.156 10 20 JECD Cc1ncc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)s1 1782009698 ZJDRPIQPUFLZCP-FQEVSTJZSA-N 451.932 2.202 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(F)(F)Cl)C1 1782347279 SLSRVXBFFTXQLW-OXQOHEQNSA-N 468.888 2.125 10 20 JECD CC(C)N[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1)C(C)C 1783222363 QESDYBKJTZLLFY-TYYLIASJSA-N 489.613 2.353 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC[C@H]3CCCC[C@@H]31)CCO2 1785539697 GOUIPPOIWLKAMY-MIVHDCIWSA-N 479.668 2.283 10 20 JECD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 1790126693 GRLDBEVLRNRVIX-UDIDDNNKSA-N 481.597 2.134 10 20 JECD O=C(Cn1ccccc1=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1807443064 SIGWSSCREDTUCM-OPAMFIHVSA-N 482.924 2.328 10 20 JECD COc1cccc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1807991194 NMSWJEPPDQQYJI-MHECFPHRSA-N 462.506 2.459 10 20 JECD N[C@@H](Cc1cccnc1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1808365539 PLBQESIGIXFPEX-XJABCFGWSA-N 495.967 2.431 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccn2cncc12 1810000069 WLESLZJUZOWBJZ-OPAMFIHVSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2ncccn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811799662 XZRRGLCFKIETKN-YCRPNKLZSA-N 467.913 2.499 10 20 JECD CC(C)N(C)CC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813603260 YZYHQQXCAPSUHM-UTYLOPDKSA-N 468.554 2.258 10 20 JECD Cn1cccc1C(=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1827007043 PRQSONOXXSSHDX-NEXMIYJRSA-N 482.518 2.107 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)CSc2ncccn2)CC1 1827179858 JDQZFRRSTMVZBA-MRXNPFEDSA-N 493.680 2.049 10 20 JECD C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828244699 OIPYJRBMYAIGQT-IJLUTSLNSA-N 452.627 2.352 10 20 JECD Cc1nn(C)c(C)c1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1832228948 GRAXRGRHYOAWIM-FQEVSTJZSA-N 455.559 2.319 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)Cc2noc3ccccc23)C1 1843030390 SVZGTIDAWTWOGI-UHFFFAOYSA-N 457.490 2.367 10 20 JECD O=C(Cn1cnc2ccccc21)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442542 RIGDKRGATWVYNC-UHFFFAOYSA-N 456.506 2.033 10 20 JECD Cn1c(=O)n(C)c2cc(C(=O)N3CCCC34CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)ccc21 1843734559 MHWIPDGKWBKOOF-UHFFFAOYSA-N 470.913 2.072 10 20 JECD COc1ccccc1OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O 1847398581 IOFIRIPNFIGEGL-NNTYKDFWSA-N 454.479 2.106 10 20 JECD CCc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCOCC1 23110004 BYPXXVXPGNRHNC-UHFFFAOYSA-N 487.622 2.379 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCN(Cc4cc(C)ccc4OC)CC3)CC2)cc1 29193454 HDCYRZACNYHCCO-UHFFFAOYSA-N 452.599 2.479 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)C[C@](O)(c3nc(C)cs3)C(F)(F)F)nc12 725928401 DEJRBCKCTFPYIJ-KRWDZBQOSA-N 474.417 2.260 10 20 JECD CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)NCc2ccc(N3CCSCC3)cc2)C1 728949587 SVGIPPBLTUDSMH-IBGZPJMESA-N 462.616 2.183 10 20 JECD NC(=O)[C@H]1CCCN(CCCNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 729363638 QKUJJPYUWZVVIS-SUCHYCSPSA-N 480.681 2.433 10 20 JECD CC(C)NC1CCN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CC1 731031722 BVGHUSJSBABEFB-UDWIEESQSA-N 490.651 2.195 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3cnn(Cc4ccccc4)c3)cc2)C1 746703148 YUFVMZBOXJMDGW-HXUWFJFHSA-N 453.568 2.112 10 20 JECD CCOC(=O)c1ccc(N2CCN(Cc3cc(C(C)=O)cc(CN4CCOCC4)c3O)CC2)nc1 914568201 DJNWPKCLXNEJTC-UHFFFAOYSA-N 482.581 2.321 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H]2CCCO2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 916591188 WUFYJRGBEMMPJE-QFIPXVFZSA-N 476.551 2.020 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)C1 917832079 IOWMRUJQZYUBTD-JOCHJYFZSA-N 498.649 2.422 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3ccc(F)cc3F)cc2F)C[C@H](C)O1 918904397 AKUQYZLKMUNOPP-GJZGRUSLSA-N 493.482 2.307 10 20 JECD COC(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)nc1 918944574 LMZYDAYARJNPAZ-HUUCEWRRSA-N 459.474 2.094 10 20 JECD Cc1cccc2c(=O)n(CC(=O)OCC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cnc12 919026841 CIJGVCDHCURLTN-ROUUACIJSA-N 496.539 2.317 10 20 JECD CSCC[C@@H]1NC(=S)N(Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1=O 920183028 AAFSKIXSZILBHO-KRWDZBQOSA-N 460.604 2.281 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C(F)(F)F)c[nH]1)C2)c1cc(O)nc(O)c1 1777847932 FEJVZPUMCGALLZ-FOIQADDNSA-N 468.432 2.281 10 20 JECD C/C(=C\c1ccc(C)o1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1779455262 HYERXIGDWQGVPQ-YZISKAEVSA-N 491.635 2.366 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008104 VSNDLSWPKDVELW-JLCFBVMHSA-N 461.902 2.057 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccnc3c(O)cccc13)CCO2 1785510174 QJINBQCKKBLCEK-UJWGQFCKSA-N 491.500 2.214 10 20 JECD Cc1cccc(F)c1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510691 YLEABOCCFYQEJA-YFTVHVBSSA-N 456.470 2.408 10 20 JECD CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 1790126085 QVQBICOSDGEJKK-OPEMAFOOSA-N 466.582 2.212 10 20 JECD COc1cc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)nn1C 1790196702 YMMOEOPUARISOC-UHFFFAOYSA-N 473.580 2.037 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)c3F)C[C@@H]21 1792217740 JGGZUQGMGJUWMH-XYTPNCCPSA-N 474.460 2.388 10 20 JECD C[C@@H](NNc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1792587600 XYQHLIQIGPSIJP-CMCXCUNFSA-N 474.565 2.423 10 20 JECD COc1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1794373404 OYJXTAXTYDZYNZ-VTYHHJSWSA-N 475.549 2.410 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(O)nnc2O)cc1)c1cc(O)c(O)c(Cl)c1 1799311812 SVMFMMCGDOJRHD-RBVVOMGSSA-N 499.911 2.309 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cnc2c(Cl)cccn12 1804333794 SQWUTNWPVMSKIJ-CLLJXQQHSA-N 477.999 2.100 10 20 JECD COc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)ccc(F)c1F 1804335704 FUAJYOQNKPZZEC-ZSBIGDGJSA-N 469.535 2.086 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccnnc1 1805495330 SHVBAYAGYZZRPC-VYHZTRRPSA-N 461.478 2.021 10 20 JECD CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1807078561 JAFYXWQDKRHSCW-HKPCCUJDSA-N 468.554 2.291 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1cc(O)n[nH]1 1807288531 TUXXUFRCAOUFLF-SGTLLEGYSA-N 457.874 2.208 10 20 JECD C[C@]1(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)CCCN1 1808098956 AXJOLNCHWHELBT-LUAULKAUSA-N 466.538 2.060 10 20 JECD CCOC(=O)O[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1812368972 VJQHZWIEKLIYLW-BMCIFCANSA-N 499.520 2.479 10 20 JECD CC(C)(C)NCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814161914 CTQDNSLPIHUOFT-AVUHJFIJSA-N 468.554 2.306 10 20 JECD Cn1cc(CCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)cn1 1815439138 ZFQJGDIUNBVZSR-ULYATVDSSA-N 483.550 2.252 10 20 JECD O=C(CN1CCOCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1817149263 MAYKGGYMYNQXFH-INIZCTEOSA-N 463.922 2.112 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(O)cn1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817362890 YADDXGFGENQQCD-CYBMUJFWSA-N 476.518 2.262 10 20 JECD CC(C)(C)[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364254 RTCJLTHYJOWKGR-DJJJIMSYSA-N 469.567 2.255 10 20 JECD Cn1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)cn1 1818147748 HNRMIEUWLNEHJZ-HXUWFJFHSA-N 474.525 2.171 10 20 JECD Cc1n[nH]cc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1821526124 HSASYLOADNXNQZ-ZDUSSCGKSA-N 463.523 2.193 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)[C@@H]1CCOC1 1822949502 FKVXJUANWGKWBW-BEFAXECRSA-N 450.499 2.231 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(O)c(F)c1)CC2 1828247490 SWNPJGKNJUUDIB-SNVBAGLBSA-N 480.568 2.074 10 20 JECD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1831814699 FWYIVORVSKAVDD-ZCNNSNEGSA-N 471.554 2.482 10 20 JECD O=C(CN1CCSCC1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876317 UBHJBVTYPWEJIQ-ZEZYUPADSA-N 489.638 2.485 10 20 JECD CN1C(=O)CC[C@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878103 DCIAQUGIPXZFPS-BDJRERGKSA-N 471.554 2.057 10 20 JECD O=C(c1cnc2ccccn12)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902382 LAMJZDVLFAIDAD-KRWDZBQOSA-N 485.635 2.428 10 20 JECD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1835069059 NBWGMVMDZROCQL-DEOSSOPVSA-N 490.940 2.073 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C)COC4)C3)C2)cc1 1839349013 ZFSPCIPLDXVXMH-SANMLTNESA-N 467.566 2.201 10 20 JECD CC[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CC1 1840881201 IEYOXNCCMKKKLH-FUABQEJASA-N 488.581 2.489 10 20 JECD CC(C)C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)N1C(=O)c2ccccc2C1=O 1843250617 SBIGQHHDIWDIBT-LJQANCHMSA-N 492.532 2.021 10 20 JECD C[C@@]1(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CCN(C(=O)OCc2ccccc2)C1 1843251059 SNJMKFPPXNRADT-RUZDIDTESA-N 494.548 2.359 10 20 JECD O=C(c1cc(Cl)nc2n[nH]cc12)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441782 DJXRYORLVWOHOQ-UHFFFAOYSA-N 477.912 2.221 10 20 JECD Cc1c(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cccc1-n1cnnn1 726726412 MZGPPKXDHUCUDX-UHFFFAOYSA-N 471.468 2.296 10 20 JECD NC(=O)c1ccc(F)c(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726727417 YTGHMRKWEKAQAL-UHFFFAOYSA-N 450.417 2.250 10 20 JECD Cc1cc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(C(C)C)cc1 863951175 KSFGXWTYUYCSIV-GOSISDBHSA-N 475.567 2.387 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NC[C@H]1CCS(=O)(=O)C1 914454077 OSSDKWLNILBGKR-CWZJEYLYSA-N 489.438 2.201 10 20 JECD O=C(CN1CCC[C@H](C(=O)Nc2ccccn2)C1)NCc1ccc(N2CCOCC2)c(F)c1 917398598 ZNJKINMUABKVCY-IBGZPJMESA-N 455.534 2.024 10 20 JECD CS(=O)(=O)Nc1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 918205785 QWXPYRIBEVSZII-UHFFFAOYSA-N 450.536 2.158 10 20 JECD O=C(COC(=O)Cn1ncc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 919262619 OEQYIWIAUKAZTE-UHFFFAOYSA-N 467.437 2.354 10 20 JECD CCOc1ccc([C@H](C)NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1OC 920637379 APGXZMXNXUMGHU-ZDUSSCGKSA-N 466.512 2.205 10 20 JECD O=C1CCCc2cc(C(=O)N3CC[C@@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)ccc21 1777927701 NWYYTDKYYCRFGV-JWIQXXRHSA-N 492.528 2.479 10 20 JECD C[C@@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)Oc1ccccc1 1781602740 HFCZXUYASGZZMH-WVFSIPRWSA-N 469.538 2.478 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@H]1CCCOC1 1783217357 YCVZFKRRSOCHEM-GKIWIXTESA-N 452.935 2.305 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1784804531 YMLCHNFQIYDUAS-HTAPYJJXSA-N 451.951 2.068 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(F)(F)C1)CCO2 1785506044 RNPQPQVCAPANQS-MHVATQBUSA-N 452.454 2.082 10 20 JECD CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 1790126055 MPCVLQDOYSGBDH-PMVMPFDFSA-N 497.665 2.171 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(F)cc34)C[C@@H]21 1792217697 IDCKBGMUQJBJBS-PRSSHNPISA-N 496.495 2.126 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)[C@H]1C[C@@H]1c1ccc(Cl)cc1 1797190022 LFASGZLNSKXUNQ-PNUKLQRASA-N 457.914 2.153 10 20 JECD CC(C)OCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1802659225 KVTVAKREFVACQN-AEVOMHCASA-N 455.511 2.343 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)[C@H]1CC(c2ccccc2)=NO1 1803470581 QRNNTZFCNAXKQO-VNZMSGEBSA-N 487.516 2.401 10 20 JECD Cc1cncc(CCC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1804520112 VTSSCTYEFXSMSC-XXBNENTESA-N 497.646 2.284 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cnsn1 1805001199 GBSRBIVPEGTUIK-ZIPBJVRUSA-N 467.507 2.083 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)no1 1805832810 OIWZCQPPWREYAI-WZONZLPQSA-N 472.505 2.491 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)n1cccc1C=O 1807386663 DWOZXUQXYUDLNY-JLDZCNIISA-N 463.494 2.083 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccc2c1OCCO2 1809233823 CPYXFVBPYHLOHD-KSFYIVLOSA-N 476.489 2.292 10 20 JECD Cc1occc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814186817 XWRYUOJVESNWNA-BEFAXECRSA-N 458.565 2.163 10 20 JECD COC(=O)c1ccc(OCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cc1 1823601156 YBAOVTPEMHZACM-SFHVURJKSA-N 495.492 2.387 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)C2CC(O)C2)CC1 1824113202 HEJFBFAJWHTDEV-ZOGYUUGASA-N 452.555 2.170 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877487 OCZCBWTZDRVMLK-ZBFQTADNSA-N 473.570 2.303 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](F)CN2C(=O)OCc2ccccc2)C1 1845249031 YHIGWDGJXJSCFB-OALUTQOASA-N 498.511 2.059 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnco1 1847926312 HQTIOPHEQGOSAB-IKGGRYGDSA-N 486.525 2.037 10 20 JECD Cc1cc(C(=O)NCCN2CCS(=O)(=O)CC2)c(C)n1-c1cccc(Br)c1 303103475 IPWHSXUCLZQZOC-UHFFFAOYSA-N 454.390 2.317 10 20 JECD CC(C)(C)OC(=O)NC[C@@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 725805206 RNSFHDKPDUNNCH-SFHVURJKSA-N 450.555 2.125 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)CC2)cc1 726247844 JLGCJHMMLDRJOV-UHFFFAOYSA-N 490.608 2.466 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(N4CCCC4)nn3)cc2F)C[C@@H](C)O1 727874565 JWPPUCSFIIKMFQ-IAGOWNOFSA-N 471.533 2.303 10 20 JECD Cc1nnnn1-c1cc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1F 727946704 MVMUDPGOSWUOPW-KBPBESRZSA-N 485.495 2.117 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 729065330 CRKCXSBPDQASFF-OAHLLOKOSA-N 461.540 2.391 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 729787579 SKUWXLPQYRBNKM-UHFFFAOYSA-N 470.423 2.452 10 20 JECD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 730542423 XIJCQSDOJFHIHH-KRWDZBQOSA-N 465.588 2.434 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1 913608991 RJBVPBUZWCXXQU-HXUWFJFHSA-N 474.631 2.110 10 20 JECD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917714705 NRWXWPDDJWVZLJ-GJZGRUSLSA-N 482.560 2.447 10 20 JECD C[C@H]1CN(c2ccc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cn2)C[C@@H](C)O1 917833738 SZHTXJOLIHUTNO-LVCYWYKZSA-N 451.571 2.327 10 20 JECD COc1ccccc1N1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 918117938 UBGZBOJGBLJRHP-HXUWFJFHSA-N 451.571 2.429 10 20 JECD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918139885 GULVCEMMNCPQFZ-HZPDHXFCSA-N 477.558 2.237 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1cccc(NC(=O)C2CC2)c1 918442243 CKWJMEZRKKKXNW-UHFFFAOYSA-N 450.539 2.499 10 20 JECD CC(=O)N1C[C@@H](C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)Oc2ccccc21 918895804 FSTGIILULNICNT-SRGWNRLKSA-N 499.539 2.413 10 20 JECD O=C(COC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)NCc1ccc(N2CCOCC2)c(F)c1 919641665 FZWBEQSFSDYPRV-FQEVSTJZSA-N 473.501 2.110 10 20 JECD CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 919860251 RLQMJMMZMSCMOQ-NRFANRHFSA-N 494.013 2.026 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)CC2)cc1 920255066 PUMUHFKPAJCRAS-ZHACJKMWSA-N 476.533 2.188 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(NC(=O)[C@H](C)OC)c3)CC2)cc1 920923489 WNQKWFOIGRBGHG-KRWDZBQOSA-N 454.527 2.346 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H](C)OC[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 921094648 FWFKQOKPASHSCH-ZMMAXQRCSA-N 452.523 2.183 10 20 JECD COc1cccc2c1C[C@H](C(=O)N1CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C1)CC2 1777851300 YCHCOVRSEMOGMO-YXLNAYJUSA-N 495.576 2.434 10 20 JECD C[C@@H]1CCc2c(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)n[nH]c21 1777855549 HZMCRJCRLVHENF-IPQOISQHSA-N 460.918 2.281 10 20 JECD Cc1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)ccc2c1OCCO2 1777930742 JWJIMFFCEHLTMF-KBMIEXCESA-N 483.521 2.014 10 20 JECD Cn1ncc2c(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)cccc21 1778031723 QJKXXRPYOLZKKH-HSZRJFAPSA-N 470.913 2.395 10 20 JECD O=C(/C=C/c1cc2ccccc2o1)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1778115643 WFUFQJMDNAJARH-NFOSPISASA-N 485.587 2.136 10 20 JECD CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C2)C1 1779001766 IWRWGEUNFVGXFS-AVRWGWEMSA-N 491.585 2.164 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)CCc1ccc(F)cc1)CCO2 1785509818 ADXWHNZNJVVRSK-VIDGFWFCSA-N 470.497 2.418 10 20 JECD CC(C)n1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)n1 1789372797 PXONYANCAXKHSR-RFUYNDQBSA-N 462.934 2.436 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)nc2nccn12 1790246030 FNVGBNAOVGWOMV-RFUYNDQBSA-N 485.928 2.009 10 20 JECD COc1ccc([C@H]2C[C@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1793306534 SVEOLQBHWVLGHM-YABFCOROSA-N 494.544 2.219 10 20 JECD CC(C)OC(=O)c1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1794616688 BZFDPJSFTIMABS-MUJYYYPQSA-N 454.483 2.019 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@H]1CC(c2ccccc2)=NN1 1796935026 OZQWBDNSRDZHFL-ZVXPMLRVSA-N 484.560 2.184 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc2cnccc2c1 1796977485 IMXZCXAQUGFMAN-GQEURGSBSA-N 483.528 2.231 10 20 JECD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cccs1 1801290929 MBGFHDNVOGBJIY-DBHNTLKXSA-N 466.563 2.234 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc([N+](=O)[O-])o1 1802265322 PQNPROPPLQLHEU-BFUOFWGJSA-N 453.411 2.022 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)[C@@H]1CC=CCC1 1803035494 GFUFREHDJVMWGF-SYNHAJSKSA-N 458.609 2.304 10 20 JECD Cc1nc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccc1F 1804938670 QGSHXWPSVZMRTI-VFNWGFHPSA-N 451.458 2.364 10 20 JECD COCCOCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1806757986 FCBWJDUXSJDFGL-MGPUTAFESA-N 463.918 2.129 10 20 JECD O=C(CCc1cnc[nH]1)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1806941782 QMCNXQZSSLMKOI-UHFFFAOYSA-N 462.554 2.366 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CNC(=O)CNC(=N)N)[C@H]2c2cccnc2)cc1 1807060264 XELGILVOJPAEII-ZJSXRUAMSA-N 473.581 2.292 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3ncsc3[nH]2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993960 AQMDADHSYGVYIR-ORAYPTAESA-N 464.507 2.459 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807997658 CFYYCGIUDNHPKM-PTSWNOGYSA-N 485.541 2.121 10 20 JECD Cc1nccnc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808467391 CVMINTJMLRWXIH-NTKDMRAZSA-N 483.532 2.293 10 20 JECD Cc1nccc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1808767580 GZFGBAOMWZQDDU-OPWPMMOYSA-N 475.505 2.330 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810847 XCORJSDGFGRERJ-LHSJRXKWSA-N 499.911 2.040 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@@H](CNC(=O)C(F)(F)c2ccco2)[C@H]1c1cccnc1 1812377417 MTLFGZSJPXMVMN-KBXCAEBGSA-N 494.545 2.333 10 20 JECD CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814130051 VFDHOQSXVPKGKT-JJQMRZQHSA-N 496.564 2.222 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1ccc(O)nn1 1816296796 MHLGNFUVRWJAOS-GOSISDBHSA-N 474.481 2.004 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]c3c1CCCC3)CC2)c1cc(O)nc(O)c1 1816725832 PWGQMLAECJFTKX-NSHDSACASA-N 454.512 2.091 10 20 JECD COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)C1 1816728154 LEPDIMCHIVEAER-YRGRVCCFSA-N 474.539 2.155 10 20 JECD C[C@@H]1CCc2c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)CN3C(=O)CSC3=S)CC4)n[nH]c21 1818343993 AOOGKGUSJXXSEA-ZJUUUORDSA-N 490.636 2.002 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccnc2)[nH]n1 1823497218 BARZFTXKQZIWAZ-MRXNPFEDSA-N 472.596 2.290 10 20 JECD CC[C@H](NC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715346 LPODKLOYQUSQEM-UNMCSNQZSA-N 453.587 2.397 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CC2 1828198186 UOJSHOQYOMMDMZ-BSUFBWIBSA-N 471.535 2.453 10 20 JECD N=C(N)SCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877580 SLTUSPRCPQXGIX-BIENSFFJSA-N 462.572 2.063 10 20 JECD O=C([C@@H]1C[C@@]1(F)Cl)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899858 KVDAWPYRXSIURL-KSMMKXTCSA-N 462.012 2.391 10 20 JECD CC[C@H](C)[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1)c1ccccc1 1836418026 VOWCTTVEUAPIOX-RNHNHXFSSA-N 483.565 2.393 10 20 JECD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)ccc1C 1839433668 OQGMHXGIHODHAG-DEOSSOPVSA-N 490.940 2.452 10 20 JECD CN(C)c1cccc(OCC(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1 1843441151 PLRVVEGGJVENAZ-UHFFFAOYSA-N 475.549 2.128 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cccc(C(F)(F)F)c2)C1 1844919045 BZSGUIRAIBEYCS-UHFFFAOYSA-N 457.499 2.383 10 20 JECD Cc1ccc(S(=O)(=O)CC(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)cc1 1845500950 HXLUKWXYAWXOPL-UHFFFAOYSA-N 478.954 2.351 10 20 JECD CN(C)[C@H](C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2)c1ccccc1Cl 1845851860 ZXNQWIMWYQEKMK-SFHVURJKSA-N 481.043 2.006 10 20 JECD O=C(c1[nH]cnc1-c1cccnc1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038117 AAGNSHZRNRROFS-FNORWQNLSA-N 461.478 2.119 10 20 JECD C[C@@H](NC(=O)NCCCN1CCN(c2ccncc2)CC1)c1ccc(N2CCOCC2)cc1 726245670 LWINMDYIESDRRZ-OAQYLSRUSA-N 452.603 2.491 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(c4cc(OC)ccn4)CC3)CC2)cc1 729587713 WYEIRTISEROOGJ-UHFFFAOYSA-N 468.602 2.143 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)CC2)cc1 742921234 RPQKLHFEZFHRJB-UHFFFAOYSA-N 453.511 2.244 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)CC2)cc1 749030802 QXSKZRCMSOEHEI-UHFFFAOYSA-N 479.581 2.074 10 20 JECD COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@](C)(CCc4ccc5c(c4)OCO5)C3=O)CC2)cc1 750959595 CQHBSOYTHYAUJT-SANMLTNESA-N 494.548 2.016 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)OCC(=O)N1CCCC1=O 913363993 VCRFMUNPUJKRLR-JYRVWZFOSA-N 483.365 2.343 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CN1C(=O)COc2cc(Br)ccc21 915529100 OQVOSAPULCNCAA-UHFFFAOYSA-N 490.354 2.442 10 20 JECD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)C[C@H](C)O1 917707393 CNYFQTIUBLWNBN-ROUUACIJSA-N 491.585 2.390 10 20 JECD COc1cc(C(=O)NCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1OC(F)F 918373361 WUIZESOEMCJMSW-KRWDZBQOSA-N 490.507 2.045 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3ccccc3)cc2F)C[C@@H](C)O1 918852813 HSZAQEIJMBEPTP-IAGOWNOFSA-N 457.502 2.029 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)nc12 918944995 HXGNLCADOWFZRK-KRWDZBQOSA-N 454.439 2.086 10 20 JECD O=C(COC(=O)COC1CCCC1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 919387628 YEVOGSFDFUGSNS-ZDLGFXPLSA-N 492.575 2.235 10 20 JECD Cc1[nH]ccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1778305538 HSRQATKUNSESTN-XHDSPZKDSA-N 455.511 2.281 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cn2cccnc2n1 1778988931 UPQNATMLXQSGRO-WZONZLPQSA-N 485.928 2.235 10 20 JECD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)ccc1Br 1781617611 YUZVPWFDHOOGLO-OAQYLSRUSA-N 492.326 2.021 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1c(F)ccc(O)c1F)CCO2 1782007723 KYOOOUIKRVMDOC-NRFANRHFSA-N 468.840 2.492 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1cccnc1-c1ccccc1)CCO2 1785540002 JZVQGELRXLBCQQ-DEOSSOPVSA-N 496.614 2.052 10 20 JECD CCC[C@H]1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)CC1 1785547369 YIFGWQRLXGRLAJ-HOIFWPIMSA-N 467.657 2.283 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc(F)c3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539196 ZTDDABXBYXRKLL-HARLFGEKSA-N 478.524 2.141 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cnc2c(F)c(F)ccc2c1 1790476977 AKEUPRFHOJFMOD-OWQGQXMQSA-N 484.459 2.226 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(Cl)c1Br)C2)c1cc(O)nc(O)c1 1796140284 GTKMQMUFSICJII-KSPBDQMDSA-N 496.745 2.426 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cc1F)C2)c1cc(O)c(O)c(Cl)c1 1799769254 WLYMXIXRJAQDBG-KSPBDQMDSA-N 450.850 2.113 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(O)c1)C2)c1cc(O)c(O)c(Cl)c1 1799770057 CSUPTHBNNBMPKI-VPTLXERWSA-N 460.914 2.293 10 20 JECD O=C(CCc1cc(F)ccn1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804446723 LQCBEQFWPKMIQL-MWTRTKDXSA-N 465.485 2.374 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnn(-c3cccnc3)c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991270 OSLPPVSCXKKSFW-UZUQRXQVSA-N 485.504 2.102 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n[nH]1 1807993917 AGTDKKTVELAMIF-BTYIYWSLSA-N 450.499 2.368 10 20 JECD Nc1nc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cs1 1808467716 JQDRHLPGPPFEHZ-IIBYNOLFSA-N 489.561 2.233 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(=O)oc2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468465 RBDRJELCALPFQQ-HOYKHHGWSA-N 485.500 2.147 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1c[nH]c2cnccc12 1810062782 IGGSMYWHVXDGPM-QRQCRPRQSA-N 458.478 2.398 10 20 JECD Cn1ccc(=O)cc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811806452 NUVTXUAFCWVHPY-BTYIYWSLSA-N 482.924 2.478 10 20 JECD Cn1cccc1C(=O)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813477694 QDQUFBOIVNFYDT-YADARESESA-N 498.543 2.102 10 20 JECD CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814130054 VFDHOQSXVPKGKT-LNRZCICUSA-N 496.564 2.222 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1Cc3ccccc3O1)CC2)c1cc(O)nc(O)c1 1816725259 GPVVVJLCHOWQTE-XJKSGUPXSA-N 452.492 2.179 10 20 JECD CN(C)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146404 GYXFXABFOSDPCC-LJQANCHMSA-N 451.531 2.146 10 20 JECD Cn1nc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)c2c1CCC2 1818717559 MDWMCWAHMBQSMJ-INIZCTEOSA-N 451.487 2.058 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccn(C(F)F)n3)sc2C1)c1cc(O)nc(O)c1 1820620218 WCKQOPBJYIWFEU-SECBINFHSA-N 450.427 2.081 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(CO)CC2)[nH]n1 1823496578 LFPQIXZWKLUYGO-XUJLQICISA-N 479.628 2.061 10 20 JECD COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)n(C)n1 1827714477 AZPNZBGQRDKRQS-NRFANRHFSA-N 492.580 2.455 10 20 JECD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)n1ccccc1=O 1829080921 JNHOXEORQOXMTJ-QFBILLFUSA-N 454.527 2.149 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccnn3n2)CC1 1829566274 OOQQDFMAZGAOFH-LJQANCHMSA-N 450.499 2.083 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 1832125682 HRRSMNRIMYJFSP-UZLBHIALSA-N 453.543 2.254 10 20 JECD CC1CCN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)CC1 1832896909 TVPNAKSLWIPNLM-IBGZPJMESA-N 480.700 2.198 10 20 JECD CCCc1onc(C)c1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834986943 MBWLDQBHWWGICW-UHFFFAOYSA-N 471.558 2.241 10 20 JECD Cc1cc(C)nc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)c1 1838004425 DSKXHSZQWULVHN-UHFFFAOYSA-N 490.651 2.171 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)C13CCC(CC1)CC3)CCO2 1840544645 TVCFUMPZYYZAAG-BTIDQCEASA-N 486.565 2.243 10 20 JECD CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251014 NIQZAEJXAKFECZ-MKJPBZQASA-N 486.569 2.488 10 20 JECD O=C(c1ncccc1Br)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038710 NXIKEMJWCRGJEA-FNORWQNLSA-N 474.311 2.491 10 20 JECD COc1ccc(N2CCCN(C(=O)c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 108432384 UGQXDUFSGRADEO-UHFFFAOYSA-N 489.594 2.077 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NC3CCN(Cc4ccncc4)CC3)CC2)cc1 742940030 PSAGZSWGGKKOBW-UHFFFAOYSA-N 452.603 2.176 10 20 JECD CCc1nc(CN2CCC(CNC(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)cs1 857449419 CPLPOUUJKKGHRN-UHFFFAOYSA-N 452.602 2.425 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C3CCN(C(=O)N4CCCC4)CC3)CC2)cc1 915623943 OQXCIJUFZGYLGM-UHFFFAOYSA-N 457.619 2.251 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 916667533 ICCIYKBDCTTXIQ-UHFFFAOYSA-N 478.546 2.005 10 20 JECD O=C(CN1CCCN(C(=O)c2ccccc2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 917028152 SLFAFHUYKZOUNL-UHFFFAOYSA-N 454.546 2.127 10 20 JECD CSC[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 917708914 MVEWKGWNMKARAV-MBOZVWFJSA-N 463.575 2.185 10 20 JECD Cc1cc(NC(=O)[C@H](C)SCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)no1 917832936 IKVAJLZANPPNEC-DOTOQJQBSA-N 459.572 2.061 10 20 JECD CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 918444648 XMCVUDHYDQFGFT-UHFFFAOYSA-N 458.540 2.240 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccccc3S(C)(=O)=O)cc2F)C[C@@H](C)O1 918799407 WOPBZLVKNXWMCT-HZPDHXFCSA-N 478.542 2.316 10 20 JECD Cc1noc(C)c1CSCC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 918818843 DUBVZCCAUNECTR-UHFFFAOYSA-N 451.520 2.360 10 20 JECD Cc1ccc(N2C[C@H](C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2=O)cc1F 918876517 UMNULNZYHGYMOG-GOSISDBHSA-N 487.503 2.322 10 20 JECD C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1317692169 UVWBVNMFNUWYCV-OAHLLOKOSA-N 492.509 2.311 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@H]1c1ccccc1)C2)c1cc(O)nc(O)c1 1777850480 FCSINGPMGWGZBV-UVPKRVSESA-N 451.523 2.424 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cc(O)n1 1778128024 VBEHEENPIYYCGQ-QFQXNSOFSA-N 491.548 2.016 10 20 JECD CC(C)=CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783246089 RFDQYWGBNKGOLC-IIBYNOLFSA-N 453.630 2.107 10 20 JECD Cc1cc(F)ccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785511334 FLEHJXPHYZZCGJ-CMEAPCDJSA-N 456.470 2.408 10 20 JECD CC(C)(C)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)ccn1 1787290666 ZAMRVDVCSHFJJC-SZMVWBNQSA-N 454.527 2.092 10 20 JECD CNC(=S)NCCC(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1789524583 GBNRAXAVJSAMAK-UHFFFAOYSA-N 492.605 2.397 10 20 JECD COCc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)c1 1790244196 UJIPIDZSYKUCMH-RFUYNDQBSA-N 463.918 2.133 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccccc34)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245115 RRJUFLCDELLPAC-RISOHXOYSA-N 470.913 2.306 10 20 JECD O=C(/C=C/c1cccc(C(F)(F)F)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1793699571 XSZKHTHTSWBHJY-BZGPJFGBSA-N 477.439 2.428 10 20 JECD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1)[S@@](=O)c1ccccc1 1799768378 VNXPZYPKBZXEDE-PZYACEHOSA-N 492.981 2.151 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSCC(=O)O)cc1 1801020788 JHWNURCDFWYWIR-BBIADKPPSA-N 471.579 2.115 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccc2cc(O)ccc2n1 1804333487 PBQACQAYMOEPNO-QDMKHBRRSA-N 470.576 2.053 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccc2c(c1)CCCC2=O 1804333772 XDGINPZWTHTKAW-BJWYYQGGSA-N 471.604 2.318 10 20 JECD COc1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccc1O 1807995025 MIDZTXPKADUXMD-OPAMFIHVSA-N 464.478 2.235 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCC3)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468138 ORPJABRVQVJBMR-UQBPGWFLSA-N 497.559 2.337 10 20 JECD CC(C)(C)NCC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808468515 RWVKSJIFQNURMT-DVECYGJZSA-N 476.581 2.268 10 20 JECD Cc1ccc(OCC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)cc1 1809348898 YUNVZMXNHFXHIU-UHFFFAOYSA-N 475.636 2.465 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2nc[nH]c2c1 1809818362 LCNZLZSWRCZAIP-AOMKIAJQSA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1812868639 CSPMAXDDGHRMPS-HHVKVWJTSA-N 499.527 2.117 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812950946 ZOLQALGPZRHVBZ-AKCHCHLHSA-N 485.541 2.121 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)Cc2cccs2)[C@H]1c1cccnc1 1814189155 MNTTWPMSGOBIEW-YWZLYKJASA-N 474.633 2.252 10 20 JECD C[C@@H]1CCc2c(C(=O)N3CC[C@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3c3cccnc3)n[nH]c21 1814189670 VTWZPCZLQDWDAR-MFLXSWDHSA-N 498.634 2.034 10 20 JECD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1814189817 ZTNCFMPIZZTZCT-KBXCAEBGSA-N 475.621 2.026 10 20 JECD O=C(CN1CCOC1=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1815029954 YQTCKEKLNUYVNP-AWEZNQCLSA-N 463.878 2.232 10 20 JECD CC(=O)Nc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)n1 1816087042 JRKCHLWMIYHAMI-INIZCTEOSA-N 465.470 2.189 10 20 JECD COc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1C 1816722173 DPSRCAWBICRQLY-ZDUSSCGKSA-N 455.496 2.201 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2)N1C[C@H]2C[C@H]2C1 1819570002 SLWLSKONUUCLMG-WCXIOVBPSA-N 492.605 2.188 10 20 JECD Cn1nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)cc1O 1827715108 LPBVFGNIVZEIPB-NRFANRHFSA-N 478.553 2.152 10 20 JECD Cc1cc(C)nc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1 1828242488 JDTXOFHVUDAHCF-GFCCVEGCSA-N 475.621 2.241 10 20 JECD O=C(c1cnn2ccccc12)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902022 ICNZZJUHBUAXDF-GOSISDBHSA-N 485.635 2.428 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCOC[C@]2(C1)CN(C(=O)C13CCC(CC1)CC3)CCO2 1840542092 BAUIEELHYOVNHU-XINNPMCZSA-N 494.592 2.206 10 20 JECD CCSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1844240989 PMJSBBCPVGLSSU-INIZCTEOSA-N 494.614 2.346 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1845174705 HGGSVNFXFFJVOQ-UHFFFAOYSA-N 473.533 2.238 10 20 JECD O=C(NCCC(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccccc1 1846958978 BCFWXNMZQFNLGV-UHFFFAOYSA-N 457.914 2.388 10 20 JECD O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(-n2cnnn2)cc1 726600078 AWNADSIUSXLIQT-UHFFFAOYSA-N 450.471 2.211 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1Cl 726766856 OPXUJTMXFAYMEJ-UHFFFAOYSA-N 479.989 2.052 10 20 JECD CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1 727242941 LIRVCZKACSVUKP-UHFFFAOYSA-N 466.566 2.477 10 20 JECD CCN(CC)c1ccc(CN(C)CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1 741678778 YOUQNQALVCQHTF-RUZDIDTESA-N 480.609 2.475 10 20 JECD Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)nc2n1 795044586 COHOMGCQFKFBSV-UHFFFAOYSA-N 455.430 2.312 10 20 JECD O=C(COC(=O)c1ccc(-n2cnnn2)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 848980276 CXYWMGJJYGAQSM-UHFFFAOYSA-N 453.414 2.233 10 20 JECD C[C@H](CN1CCOCC1)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 916054888 ZLSRJWSESXNSHM-YDRQLGOLSA-N 484.441 2.487 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1 916197200 XHHCQZQRUMLIAB-UHFFFAOYSA-N 495.624 2.179 10 20 JECD COCCCn1c(O)nnc1SCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917184442 GERNFLFDCFSWFE-HUUCEWRRSA-N 467.567 2.181 10 20 JECD COc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1S(=O)(=O)N1CCOCC1 917386113 PPJOGNWWKWRVCQ-UHFFFAOYSA-N 491.635 2.199 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)cc2)C1 918038815 ZYVUPSQGQNKBQE-FQEVSTJZSA-N 465.554 2.182 10 20 JECD CSc1nnnn1-c1cccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 918286259 GFMZYESDLMZMOQ-GASCZTMLSA-N 499.572 2.392 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(CS(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1 918820086 LUCDUFJFJPQBGZ-IAGOWNOFSA-N 492.569 2.457 10 20 JECD Cc1csc(=O)n1CCC(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 918891670 RDUYNZSRYUXDKX-HOTGVXAUSA-N 465.547 2.221 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cn(-c2ccc(Br)cc2)nn1 1347856500 FPKBSIJLHUOQTM-UHFFFAOYSA-N 490.383 2.195 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cncc4cnccc34)C2)C1 1780014332 HNPSOYGXEKCDEE-HSZRJFAPSA-N 468.897 2.452 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CSCC(=O)O)C3)C2)cc1 1783958092 ANDQZFLVQWLVRO-XMMPIXPASA-N 471.579 2.355 10 20 JECD C[C@H](C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1)N1C[C@@H]2C[C@H]2C1 1789449749 PZRWCNXQJUDDQI-PMPSAXMXSA-N 472.636 2.321 10 20 JECD Cc1cccc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C[C@@H]43)n[nH]c12 1790480678 IWGDIJKZOJDCJQ-GFWDFKOESA-N 492.532 2.295 10 20 JECD CSc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792218328 SBJIDIJHRYESOA-OTXCBPGVSA-N 485.562 2.227 10 20 JECD CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796602698 UOIJCXOUJJTIEC-YIQGALHWSA-N 486.569 2.392 10 20 JECD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2)N1CSCSC1 1798528440 SMUIZLUPLSHOLS-DBFWIWGHSA-N 479.624 2.498 10 20 JECD O=C(CCc1cnc2[nH]ccc2c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1800846630 IIZAOOWAAHHSEM-UPHUGPLXSA-N 484.940 2.464 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc(F)nc1F 1802308451 MYOAOGDSAYPCEF-DJJJIMSYSA-N 455.421 2.194 10 20 JECD O=C(CN1CCCC1)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1804920883 UGKWDCYTIPMUDE-UHFFFAOYSA-N 451.571 2.106 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccn3ccnc3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995890 KVBGDEYAYLUEEN-VGSWGCGISA-N 458.478 2.169 10 20 JECD Cc1nccn1CC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808469164 INMKSBAFBJCCEX-CPJSRVTESA-N 485.548 2.085 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc(O)c(F)c1 1810986742 IDLIIMCQTYGMND-YWZLYKJASA-N 488.566 2.106 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811806732 RBELSRSWEXEHDT-BFUOFWGJSA-N 497.895 2.268 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)n1cncn1 1813401564 DUVNTRCZZLPHHS-WTANOLMUSA-N 470.917 2.319 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)C1Cc2ccccc2C1 1814280474 YVVTVKDZQLDLGV-CVDCTZTESA-N 494.642 2.363 10 20 JECD O=C(Cc1cnc2ccccn12)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1814840194 FVPXJUWNHODSTO-MRXNPFEDSA-N 497.606 2.153 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cccnc3[nH]1)CC2)c1cc(O)nc(O)c1 1816726383 VSLSKDWZNYGFBK-GFCCVEGCSA-N 450.480 2.365 10 20 JECD Cc1ccc(C(=O)C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1 1816728359 MPRXKJQAEMTWHV-CQSZACIVSA-N 452.492 2.366 10 20 JECD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)N1C[C@H]2C[C@H]2C1 1817361879 KUQRPWSZUFTKSZ-NCOADZHNSA-N 492.605 2.188 10 20 JECD Cc1nccnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1820872364 CWRYYMPLLPVWHG-AWEZNQCLSA-N 475.534 2.260 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cscn2)[nH]n1 1823496325 LHUAVBBTAHSCAR-GFCCVEGCSA-N 450.571 2.032 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cncc(F)c2)[nH]n1 1823496951 RDQQSPRPBSWEEK-CQSZACIVSA-N 462.532 2.110 10 20 JECD O=C(c1cnc2c(c1)CCNCC2)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827430035 ZQJNLCWNYHTQTR-QFIPXVFZSA-N 479.581 2.123 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716807 WTAUZSMIGVHFPF-JPYJTQIMSA-N 481.597 2.266 10 20 JECD COC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1831632665 SJFMDONFVKBQBB-SIBVEZHUSA-N 469.582 2.447 10 20 JECD Cc1nccn1[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899352 FOKCSMUKKNPBQG-QAPCUYQASA-N 477.656 2.233 10 20 JECD O=C([C@@H]1CCCS1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900389 RSOWZCOVNBTRAN-HOTGVXAUSA-N 455.671 2.362 10 20 JECD O=C(c1cc2cccnn2c1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900729 XQFWDVODZCEANS-IBGZPJMESA-N 485.635 2.428 10 20 JECD COc1cc(OC)cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1838030356 QRUJIYJHPUOAJC-UHFFFAOYSA-N 485.537 2.436 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3nccc4occc34)C2)C1 1839433785 BKECNJWWFITVGK-HSZRJFAPSA-N 487.896 2.276 10 20 JECD O=C([C@H]1ON=C(c2ccccc2)O1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501498 WNPPSPBRBQRHEX-OAQYLSRUSA-N 457.870 2.303 10 20 JECD O=C(c1cccn(C(F)F)c1=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501727 WHSQMAFMHXGBKW-UHFFFAOYSA-N 453.829 2.439 10 20 JECD CN(C)c1cccc(OCC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1 1847034035 WKPCQPXZOVDRSA-CSKARUKUSA-N 467.522 2.165 10 20 JECD CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1=O 10167126 AGNMZUYYMCNZSM-UHFFFAOYSA-N 477.473 2.054 10 20 JECD COc1ccc(N2CCC(NC(=O)CN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)CC2)cc1 110358120 RPNNYTYDGWUDHS-XMMPIXPASA-N 454.502 2.387 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)cc1 117199913 MATAWPXZTGUGQT-UHFFFAOYSA-N 476.480 2.284 10 20 JECD Nc1c(C(=O)OCC(=O)Nc2nnc([C@@H]3CCCO3)o2)ccc2c1C(=O)c1ccccc1C2=O 727503090 FDGMPZSIRTWTET-HNNXBMFYSA-N 462.418 2.074 10 20 JECD CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 728516388 RTQMMALESHQCQX-UHFFFAOYSA-N 454.552 2.436 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 729062616 SUCOPGFEJQGNHN-JYJNAYRXSA-N 455.511 2.466 10 20 JECD CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1F 731345537 APSMPLBRYJALMJ-UHFFFAOYSA-N 465.595 2.431 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CCn3cnc4sc(C)c(C)c4c3=O)CC2)cc1 742920276 IGENXDAHOGRRFD-UHFFFAOYSA-N 469.611 2.412 10 20 JECD CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)CC1 823027914 REVZXUXBFSKDJG-CYBMUJFWSA-N 468.893 2.351 10 20 JECD CCCn1c(=O)n(CCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2ccccc21 916677025 ZXXJSJYURZYTSQ-UHFFFAOYSA-N 470.595 2.154 10 20 JECD C[C@@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 917874446 LXCRINGENAXUKJ-CQSZACIVSA-N 489.484 2.197 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2F)C[C@@H](C)O1 918149215 RTXDARIGZSECJM-IYBDPMFKSA-N 464.563 2.129 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCCNS(=O)(=O)Cc3ccccc3)cc2F)C[C@@H](C)O1 918211811 FJWCIZOIAQNEDS-QZTJIDSGSA-N 478.590 2.358 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3-n3cccn3)cc2)C1 918464918 DXYCPEPBBJPPSP-QGZVFWFLSA-N 480.956 2.482 10 20 JECD CCOC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 918465862 UIKSZQIEZZEYNQ-QGZVFWFLSA-N 467.526 2.212 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NCc1nc(C2CC2)no1 919782278 HIQSWTQHAFUGOX-UHFFFAOYSA-N 452.494 2.202 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3cccc(C(=O)NC[C@H]4CCCO4)c3)cc2)C1 920348594 XYKRCBSWXDFHDP-LADGPHEKSA-N 493.608 2.297 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1C[C@@]1(F)Cl 1782297377 XXUCBJBATLHQKI-NKTNCWPWSA-N 468.909 2.255 10 20 JECD COc1cc(F)ccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785509930 CQKPUDOKNHMFKN-CMEAPCDJSA-N 472.469 2.108 10 20 JECD COc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1793306530 SVEOLQBHWVLGHM-AEHOFQLLSA-N 494.544 2.219 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc(C(F)(F)F)n1 1794341563 FKTUPVVDGFDPQV-BTTYYORXSA-N 486.541 2.141 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1796052336 WHAGZECKQGQKRU-YRLHULLVSA-N 460.538 2.313 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)n1 1807402401 KHEAYEUCRFBJLJ-UHFFFAOYSA-N 453.499 2.005 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccn3nccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808000646 NXEJQADBECSENM-OPAMFIHVSA-N 458.478 2.169 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)c3cccc(O)n3)C2)CC1 1808374216 ZQZFUFKDNMXGAO-SOFGYWHQSA-N 453.495 2.462 10 20 JECD CC(C)(O)CC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808468686 XFZVPDYTRFLHGH-WZONZLPQSA-N 463.538 2.041 10 20 JECD N=C(N)SCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811803909 OSOFCIGBHQGEAU-YVEFUNNKSA-N 463.947 2.092 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)C1CCC(O)CC1 1813194526 QYCOWTNLELVUPD-NOZZUHLVSA-N 489.576 2.431 10 20 JECD CC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362645 SIAHKMVYPDZEAK-AWEZNQCLSA-N 453.524 2.217 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccn2cncc2c1 1819264737 PWAZAILTHWSXNE-CYBMUJFWSA-N 450.480 2.137 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3ncccn3n1)CC2 1828199609 ZIIRINHDSWECBQ-MXPWBENCSA-N 492.517 2.242 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)n1cccn1 1828200387 PMWCNICIXLBQBV-RDGOESDJSA-N 469.523 2.343 10 20 JECD Cc1nscc1C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1834042387 TVQBCAOAHIWMGV-UHFFFAOYSA-N 494.621 2.430 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 1838593886 MFDXSEPNYQYDLV-UHFFFAOYSA-N 479.599 2.298 10 20 JECD C[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)CC1 1840529503 VKOGSHDGQONAJA-XMERXJNXSA-N 482.581 2.062 10 20 JECD CC(C)(C)OC(=O)NCc1ccnc(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)c1 1842256498 LDQXBXUADHXQIE-UHFFFAOYSA-N 483.525 2.043 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1F 731409304 PXZXPVXMVMTWAM-UHFFFAOYSA-N 469.561 2.314 10 20 JECD O=[N+]([O-])c1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c(S(=O)(=O)N2CCOCC2)c1 917086160 GTQPMTZPDDBHKT-UHFFFAOYSA-N 494.545 2.328 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@H](c3ccccc3)N3CCOCC3)cc2)C1 918004799 NIMXVCMGHXYASO-UPVQGACJSA-N 465.598 2.261 10 20 JECD CN1CCN(c2ccccc2NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 918297941 VNVWPYYJZDOUGQ-HXUWFJFHSA-N 452.555 2.290 10 20 JECD CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 918465381 LHNXWOOLYYSEDN-GOSISDBHSA-N 465.554 2.300 10 20 JECD CCCS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918673294 PHFWAGCGEJSGHX-GOSISDBHSA-N 458.584 2.470 10 20 JECD COCCN1C(=O)/C(=C/N[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)C(=O)NC1=S 920979342 IGBXELIRRNNVDZ-MEPUESOJSA-N 469.563 2.351 10 20 JECD O=C(COc1cc(Cl)ccn1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1779233081 KSFNBMGOSPUKKW-NRFANRHFSA-N 482.320 2.322 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1cccc2ccoc12 1781374252 QOSUIXOJGCNDEG-UZUQRXQVSA-N 487.603 2.421 10 20 JECD Cc1nccn1CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1781558606 CKXLOSIEBYTGEB-XMSQKQJNSA-N 462.934 2.084 10 20 JECD Cc1cc(F)cc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1 1781573235 UPCGDPDXXZUBKS-VWLOTQADSA-N 464.497 2.371 10 20 JECD O=C(COCc1ccccc1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782001322 JFRJGXPNEAHKKB-HSZRJFAPSA-N 460.914 2.412 10 20 JECD O=C(Cc1cccnc1Cl)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004515 YMWRCIYZKMZLHV-OAQYLSRUSA-N 466.321 2.486 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1782005633 RTANWJBULTUHRY-XXBNENTESA-N 458.898 2.198 10 20 JECD CC(C)(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cn1 1792393645 PVJVGIIYYWJEKZ-NHKMSHSESA-N 489.576 2.375 10 20 JECD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800513700 PYMZZINNQNGTOH-SQMWVJLWSA-N 468.554 2.410 10 20 JECD COC(=O)[C@H]1CCC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1802257506 IFNBYLNPTMKVLC-FYSVLYPESA-N 472.538 2.434 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3ncncc3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994736 BDRIDCNOMCVEFU-HXOBKFHXSA-N 470.489 2.464 10 20 JECD CCc1[nH]nc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1Cl 1807995468 YZTPFJHBUWJZJK-ZUOKHONESA-N 470.917 2.460 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)c3nc4ccccn4n3)C2)CC1 1810474755 SMEWVNBMKDNTEA-SOFGYWHQSA-N 477.521 2.404 10 20 JECD C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1813469315 HOYUXSSLUIHNJD-CEQIKUNHSA-N 486.619 2.420 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814189388 GNOCXFCNIMJRRV-ZWDAVXSWSA-N 497.646 2.222 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)C(F)(F)c2ccco2)[C@@H]1c1cccnc1 1814190038 PCBXUJNAHBEXSB-RDTXWAMCSA-N 494.545 2.333 10 20 JECD Cc1nnc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)s1 1815916669 BDMAGAJXNOMOGG-CYBMUJFWSA-N 493.640 2.055 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3[nH]ncc13)CC2)c1cc(O)nc(O)c1 1816724745 FTYOWWBMLQUTKM-NSHDSACASA-N 450.480 2.365 10 20 JECD Cn1cc(CCC(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)cn1 1817362338 LGYIQCODQRBLTG-INIZCTEOSA-N 491.577 2.214 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccc2c(n1)OCCO2 1817961203 DGUGBVTVWMJOHI-OAHLLOKOSA-N 466.454 2.002 10 20 JECD CCN(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1824446676 FKKDSHWRAYKMGZ-LSDHHAIUSA-N 468.583 2.188 10 20 JECD CC(C)(C)OCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1824897411 NLYVLDLRCIJBFO-MRXNPFEDSA-N 455.646 2.282 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3c(F)ccnc3Cl)CC2)CC1)c1cc(O)nc(O)c1 1834985518 ITLAYMWGKRQOMM-UHFFFAOYSA-N 477.924 2.179 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)cc1 1840538608 MGKOFRQHRICCAD-NVQXNPDNSA-N 467.566 2.201 10 20 JECD CCn1c(=O)n(CC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c2ccccc21 24617562 YXNBANBZDIHAIW-UHFFFAOYSA-N 451.571 2.160 10 20 JECD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 108283332 CKYXBUCVVGSAIT-DAYGRLMNSA-N 461.625 2.117 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3ccc(S(=O)(=O)NCC(C)C)cc3)CC2)cc1 742919456 ITVAFDGPBKPPOP-UHFFFAOYSA-N 474.627 2.182 10 20 JECD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2)C[C@@H](C)O1 747557427 MBMASRMCSLVUNP-SFHLNBCPSA-N 493.608 2.257 10 20 JECD C[C@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 789010239 CWCPTMOUBYAGCD-ZDUSSCGKSA-N 478.482 2.293 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(N4C(=O)CNC4=O)c3)CC2)cc1 916689302 ZDSMYENNIXIEKE-UHFFFAOYSA-N 466.542 2.085 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)C1 918123226 RALZDIYDPKUACA-FQEVSTJZSA-N 469.561 2.363 10 20 JECD O=C(Nc1cccc(Cn2cccnc2=O)c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918295739 FIWZOIOBQOSMFQ-NRFANRHFSA-N 462.506 2.144 10 20 JECD COCCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1Cl 918464603 XIWPRLJYCJJLRI-QGZVFWFLSA-N 488.972 2.322 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H](C)NC(=O)c3ccccc3)cc2F)C[C@@H](C)O1 918791222 IQGIWFSDPYNRNK-KSZLIROESA-N 471.529 2.417 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)C3(OC)CCN(C(=O)OC(C)(C)C)CC3)nc12 919519817 IKZPYIORBRQEDO-UHFFFAOYSA-N 478.502 2.071 10 20 JECD Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 919568805 OEFDQQMUUKGSFI-UHFFFAOYSA-N 461.565 2.319 10 20 JECD O=C(NCCCCn1ccnc1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919782934 PKECVVRFWLSZCC-UHFFFAOYSA-N 452.538 2.418 10 20 JECD Cc1cc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c2c(O)nn(C)c2n1 919855755 WCTHXYADZBWGSL-UHFFFAOYSA-N 476.516 2.168 10 20 JECD CCOc1cc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])cc1OCC 920195653 YFEHXLWCWOWKPR-UHFFFAOYSA-N 472.498 2.484 10 20 JECD Cc1sc(=O)n(CC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1C 920628765 DQNXPSWJGSVLSV-UHFFFAOYSA-N 450.472 2.484 10 20 JECD C[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 920866739 IAZNPDOHRKIKCI-WOJBJXKFSA-N 466.582 2.414 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 920926416 NOJLLVKCZJDMEO-QGZVFWFLSA-N 488.610 2.416 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cnc(Cl)s1 1779837878 QSHSXQXNYRFIDH-BFUOFWGJSA-N 452.920 2.044 10 20 JECD O=C(c1ccc2c[nH]nc2c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003021 ZAQSVROCSLCOAW-QFIPXVFZSA-N 456.886 2.385 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3ccoc3s1)C2 1783246349 PDZPFLBZFVDKFI-QVKFZJNVSA-N 493.632 2.482 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cc2cccnn2c1 1790434390 SVFNATWHFXSEFS-ROOHIHILSA-N 470.913 2.306 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c(O)c1 1791926158 VSAZJTQPFHRXJR-NYDSKATKSA-N 476.533 2.087 10 20 JECD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)n1cccc1C=O 1796931756 HZDRKUFMEXUHGF-XEYPJELSSA-N 461.522 2.293 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1800718180 LKSOHXURJOIQAY-FYNNLBNCSA-N 461.946 2.404 10 20 JECD CC(C)(O)CC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1806781348 OJGWOJLMODLJOZ-VACSHPSYSA-N 455.511 2.079 10 20 JECD CCOc1ncccc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807992684 PXDQLEZGCCZHQF-KKSFZXQISA-N 463.494 2.315 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(Cl)c3nncn3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995246 FSVICCRNMIJIRC-VBKZILBWSA-N 493.911 2.217 10 20 JECD O=C(Cc1cnc[nH]1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1808257213 ZDBJLWROWNVFIP-JLTOFOAXSA-N 455.902 2.432 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccon2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468792 YARATYQHWMEYHX-VGSWGCGISA-N 458.478 2.182 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cnn2c1CCC2 1812144815 MSANYTPQCNNCEB-TVFRQAABSA-N 489.532 2.374 10 20 JECD Cc1cccnc1CCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814185191 MTVPMKGMAYTXDG-MBSDFSHPSA-N 497.646 2.284 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)COC2CCCCC2)[C@H]1c1cccnc1 1814186101 WZIRKVWJHCSQTR-JTSKRJEESA-N 490.651 2.297 10 20 JECD COc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)n(C)n1 1816136633 YQHJVTSTEKSDBC-SFHVURJKSA-N 490.524 2.251 10 20 JECD O=C(C[C@H]1COc2ccccc2O1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720277 IOGIOCDDSXVFRB-KGLIPLIRSA-N 482.518 2.405 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ncn(-c3ccccc3)n1)CC2)c1cc(O)nc(O)c1 1816726287 UUPNRWLUQXXPJJ-ZDUSSCGKSA-N 477.506 2.070 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1c[nH]c2cnccc12 1819221400 CDLQVGCTIBJDKJ-MRXNPFEDSA-N 483.579 2.452 10 20 JECD COc1cnc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)cn1 1823476439 GBMPEMBQRGTBIR-IQIBNGDESA-N 480.481 2.344 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823710997 QGVYMPCYWZHFRF-JOYOIKCWSA-N 466.947 2.300 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@@H]3CCC(=O)N3C2)CC1 1830208136 RMWZSGNOJAVMBH-SXLOBPIMSA-N 470.570 2.127 10 20 JECD O=C1CSc2ncc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)cc2N1 1830975198 JHGAEBYQSMHGRX-SFHVURJKSA-N 497.577 2.479 10 20 JECD CC(C)c1nc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)no1 1832896963 VZYVEFUEWMKDPS-MRXNPFEDSA-N 493.655 2.216 10 20 JECD O=C(Cc1ccncc1)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1836348616 CDSCNQVEJHYGNV-DUXPYHPUSA-N 480.565 2.026 10 20 JECD Cc1cc(C)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)c1 1838947148 YVMNKPTZEBMINH-MHZLTWQESA-N 490.560 2.166 10 20 JECD COc1ccc(Br)cc1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1845282402 UJIYDMQZDKMKHL-UHFFFAOYSA-N 498.424 2.135 10 20 JECD COc1ccc(N2CCC(NC(=O)N3CCN([C@@H](C(N)=O)c4ccccc4)CC3)CC2)cc1 726703591 HVLPUBYUDCZCCQ-HSZRJFAPSA-N 451.571 2.218 10 20 JECD O=C(Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)NCc1ccccc1O 748354904 OYJVXQIEVRSFFH-UHFFFAOYSA-N 495.539 2.478 10 20 JECD CCNC(=O)[C@H](C)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 914438419 XDTGGMOLTVZCSX-XNFYSYIQSA-N 456.387 2.291 10 20 JECD COc1ccc(N2CCN(C(=O)CNc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 917131005 FXJHTDVAFCUHMR-UHFFFAOYSA-N 458.584 2.240 10 20 JECD O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCc1ccc(N2CCOCC2)c(F)c1 918138344 LCDOHPORKUDTNM-UHFFFAOYSA-N 461.559 2.352 10 20 JECD COc1c(F)cc(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1S(N)(=O)=O 918139836 FYKFWJRVRQCMAQ-OKILXGFUSA-N 483.537 2.093 10 20 JECD CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1=O 918949643 ORHJARNEVXIFBO-FQEVSTJZSA-N 483.540 2.437 10 20 JECD COCCNC(=O)[C@@H](C)OC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1343803867 RCOXAVHXKXETMZ-ZECSTPGPSA-N 487.397 2.345 10 20 JECD Cc1nc(F)ccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1779902364 HRSVBXANKOMXKQ-QFQXNSOFSA-N 493.539 2.450 10 20 JECD CCn1nc(C(C)C)cc1C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1780400496 IRSBFKXGPJZKJY-AREMUKBSSA-N 492.580 2.263 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2)c1cc(O)c(O)c(Cl)c1 1781123005 LFRCPXOQUYFJDH-KVGGTASHSA-N 488.972 2.407 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(C4(C(F)(F)F)N=N4)cc3)C2)C1 1781953433 BPRVRSCAQXZDLQ-FQEVSTJZSA-N 491.426 2.431 10 20 JECD C=C(Oc1ccccc1O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782002959 XWYMMLIIMMHIIA-HSZRJFAPSA-N 474.897 2.493 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ncsc3[nH]1)CCO2 1782007035 HCAWUXFRUQCNMM-HXUWFJFHSA-N 462.915 2.446 10 20 JECD C[C@H](Cc1ccco1)C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1784588598 VUPBXKZKDCDRCG-OZXWZZFLSA-N 456.495 2.118 10 20 JECD Cc1cccc(F)c1C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1784936100 LABINMGVXYWAOP-RUZDIDTESA-N 464.497 2.371 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3C1)CCO2 1785510467 LMTHEPZCMOQPGJ-YDCIUWRLSA-N 478.545 2.452 10 20 JECD CC(C)[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1)c1ccccc1 1785539800 PFWKHMWSWSNKHC-REWPJTCUSA-N 475.636 2.116 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)n1 1790242214 VQSRHGLLAFYLFC-RFUYNDQBSA-N 488.928 2.012 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)ncc1[N+](=O)[O-] 1790243353 LKAMLDSSDGWYKW-PJFSTRORSA-N 490.900 2.270 10 20 JECD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1F 1792678753 GCROSCYWONOORU-HBCWATKFSA-N 464.877 2.416 10 20 JECD COCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1795779145 GBTLIYNWNPIVFV-RDGPPVDQSA-N 491.585 2.208 10 20 JECD Cc1ccn2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)cnc2c1 1800087040 WGYUPSHCVKLEHO-YVWYUNDQSA-N 470.913 2.224 10 20 JECD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)on1 1804260009 CEOWHPOZSMUWGI-WXYAUJHGSA-N 478.505 2.457 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cncc(C(F)(F)F)c1 1804335769 DRGAMUAEQDCGST-BTTYYORXSA-N 472.514 2.213 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 1804752826 GVUQTKBDGQPOHB-UHFFFAOYSA-N 490.607 2.229 10 20 JECD COc1cccc(CCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n1 1807994226 TUEBLIXFCPGHIM-OSPHWJPCSA-N 477.521 2.244 10 20 JECD O=C1CCc2ccc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)cc2N1 1808001265 SIVFZZIKSOGIKH-KOSHJBKYSA-N 487.516 2.406 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811806458 OGVZNQKOQYCEHZ-WTANOLMUSA-N 489.960 2.173 10 20 JECD CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1813882610 CEIUVHJMVUJMHM-GAJHUEQPSA-N 475.505 2.480 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2n[nH]c3ccccc23)[C@@H]1c1cccnc1 1814189089 LWIRNBYEPARFCX-QVKFZJNVSA-N 494.602 2.138 10 20 JECD COC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815305561 MJKAVKIBGOKUNF-KXBFYZLASA-N 452.515 2.477 10 20 JECD O=C(Cn1cc(Cl)cn1)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1815409556 HSHPXRQQISTSRS-AWEZNQCLSA-N 497.968 2.398 10 20 JECD COC(=O)N[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)c1ccccc1 1816720515 WRDWGECZMXBLLI-IFXJQAMLSA-N 497.533 2.272 10 20 JECD Cn1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c(C(F)F)n1 1823498419 QKFPHFNKKWVBKD-LBPRGKRZSA-N 497.553 2.247 10 20 JECD CN1N=C(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CCC1=O 1824928820 QXTFLPWLYSFSOB-AIADIJKESA-N 484.553 2.045 10 20 JECD Cc1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)on1 1825020745 KFMROIBVQVSLMA-QGZVFWFLSA-N 464.613 2.006 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cn2)CC1 1826144024 RCOWALZFRIQEAZ-QGZVFWFLSA-N 464.588 2.314 10 20 JECD C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)O1 1828198814 KRLAQIULFNYIKT-QVMTYEEJSA-N 459.524 2.453 10 20 JECD COc1ccc(F)c(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1 1828249944 LRMPIIDIAYQNEO-SNVBAGLBSA-N 494.595 2.377 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccnn3c2)CC1 1830949281 AALYXDMNFIKGJO-LJQANCHMSA-N 485.635 2.428 10 20 JECD COc1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898529 OAQIYEFNPKNVTE-KRWDZBQOSA-N 476.624 2.184 10 20 JECD COc1cccc(CCC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)n1 1837139478 SKGNXSPBQFSGIT-UHFFFAOYSA-N 484.553 2.141 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2cccc(-n3cncn3)c2)C1 1845506116 HIWOXMISESUPMK-UHFFFAOYSA-N 453.886 2.463 10 20 JECD COc1cc(F)ccc1CC(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1847119290 JHTATNAYAJDMIK-VMPITWQZSA-N 456.470 2.410 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 12069566 AYJXKANKYLGCEX-UHFFFAOYSA-N 455.515 2.179 10 20 JECD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCCn1c(=O)c2c(ncn2C)n(C)c1=O 23291333 FTNFXXVUJHNIEM-UHFFFAOYSA-N 482.566 2.271 10 20 JECD CN(C)c1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1 725819179 LVFMBRXXSGYISM-UHFFFAOYSA-N 451.492 2.072 10 20 JECD O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 742654450 CHNLEBTZJAKMHC-UHFFFAOYSA-N 479.624 2.176 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)Cn3c(C(F)(F)F)ccc(C(N)=O)c3=O)cc2F)C[C@@H](C)O1 917205313 ZMYFQOBMKGMWFC-BETUJISGSA-N 484.450 2.035 10 20 JECD C[C@H]1Oc2ccccc2N(CCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1=O 917832914 JOKRSTSCGAXSJL-IEBWSBKVSA-N 450.539 2.209 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)cc2F)C[C@@H](C)O1 917919297 ZCOGEYNBISITFP-GASCZTMLSA-N 456.561 2.321 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 918440399 QVBGXCHWNAWLPS-UHFFFAOYSA-N 485.484 2.038 10 20 JECD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 918745566 HGNBJOZWQINRMI-YOEHRIQHSA-N 464.613 2.125 10 20 JECD CNC(=O)[C@H](NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 918848862 ZKXPYEFAKRCJIU-JOCHJYFZSA-N 456.454 2.222 10 20 JECD CC(=O)N[C@H]1CCCN(C(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)C1 918850354 LPLUNSCWTXFUMP-AWEZNQCLSA-N 468.893 2.399 10 20 JECD C[C@@H](CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)Cn1cccn1 919783843 WLLHHEZHMYDVOV-SFHVURJKSA-N 452.538 2.274 10 20 JECD COc1ccc(N2CCN(C(=O)CN(C)CCCOc3ccc(S(C)(=O)=O)cc3)CC2)cc1 920836085 VXYIFHWDOXRBSH-UHFFFAOYSA-N 475.611 2.148 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC=C2C(=O)NC(=S)NC2=O)c1 920979177 ZUJSZNZSESAYQD-UHFFFAOYSA-N 474.564 2.336 10 20 JECD CCCCCc1ncc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)s1 1782715922 UBGYZLGTFPMIMI-JOCHJYFZSA-N 460.556 2.439 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccc2c(c1)COC2 1787993979 QKPIJYNABYKEOT-APTRMMRNSA-N 488.544 2.103 10 20 JECD CS(=O)(=O)c1cncc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)c1 1788424298 UCNLRPDKWJDDAP-UHFFFAOYSA-N 482.518 2.353 10 20 JECD Cc1nccnc1C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1789897604 NXQGNXPLIYCMOV-UHFFFAOYSA-N 455.565 2.393 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)o1 1790245232 ZFWBFGRONCJNNJ-YEWDVWPNSA-N 477.901 2.210 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3ccccc13)C2)C1=NN(c2ccccc2)C(=O)C1 1796479370 DQZPRWUPNUPEOC-LWDWJGHZSA-N 483.528 2.231 10 20 JECD Cc1cccc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1799649644 CSKUMLWTFXUSGX-NHKMSHSESA-N 460.534 2.300 10 20 JECD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1)c1ccc(O)cc1 1799769089 LCHPQGQCIVHYGD-NZNSQFJMSA-N 460.914 2.464 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)nn1C 1805588191 GBLAXPIBQZFITK-CYFREDJKSA-N 485.548 2.236 10 20 JECD O=Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1807388557 QXURNASEWMQWCJ-LIRRHRJNSA-N 488.616 2.136 10 20 JECD O=C(CC12CCCN1CCC2)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1808034989 BAFZGZBHMMVNKZ-FDDCHVKYSA-N 465.554 2.226 10 20 JECD C[C@@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)O1 1808468779 XMHZRFATJPXLSI-NAOSLSSXSA-N 475.549 2.448 10 20 JECD Cc1nc(F)ccc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1811135583 QCBTVVHOVDLDOD-MGPUTAFESA-N 487.582 2.104 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)no2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811805853 DWDORROCIAVKID-KZULUSFZSA-N 458.858 2.473 10 20 JECD C[C@H](Oc1cccnc1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1813438223 XGZDHSDDJAWVTC-LBUQITIBSA-N 463.494 2.070 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1snnc1C1CC1)CC2)c1cc(O)nc(O)c1 1816726171 SFVVJTFNALGQIL-JTQLQIEISA-N 458.525 2.218 10 20 JECD Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)on1 1817364193 PWBIHXGMACHAST-CQSZACIVSA-N 478.534 2.387 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CC(c3ccccc3)=NN2)[nH]n1)c1cc(O)nc(O)c1 1817846850 DVVVYXUMFMFCCD-RBUKOAKNSA-N 475.509 2.288 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1818121764 LEYJSKUYPVCXNB-QRWLVFNGSA-N 479.541 2.062 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1[nH]cc2c1CCC2 1820107136 BAGKLRBBYHHMOZ-OAHLLOKOSA-N 472.596 2.393 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@H]1CCCSC1 1823458781 NBLPYHFPLOFHOK-JSGCOSHPSA-N 467.642 2.405 10 20 JECD COc1ccccc1CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1825417380 CALZXTKQIILKKC-AWEZNQCLSA-N 454.508 2.426 10 20 JECD Cc1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)co1 1828195268 KDOWAAOUEHRULM-QDBLGGKGSA-N 456.480 2.496 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCc3ccoc3C1)CC2 1828241814 CPBFYKRCPIUPAS-STQMWFEESA-N 490.632 2.314 10 20 JECD COc1ncc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cc1C 1832898462 NUIXFZJNHOHPCZ-GOSISDBHSA-N 490.651 2.492 10 20 JECD O=C(Cc1ccc2c(c1)CCC2)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833718528 CAEFSHCROHOZNS-UHFFFAOYSA-N 478.593 2.409 10 20 JECD Cc1c(F)cccc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834985451 PTGHMVDEFPRNIA-UHFFFAOYSA-N 456.518 2.439 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccn4C)C3)C2)cc1 1839348857 QFWPTKGIGOFQMU-SANMLTNESA-N 477.565 2.211 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@H]1F)C2 1843331332 LCFKCOQWFRCJOM-IPMKNSEASA-N 460.550 2.266 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@](F)(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)C1 1846124683 AMLAXLDSGRJEFU-HSZRJFAPSA-N 478.521 2.049 10 20 JECD O=C(c1cc(Br)cs1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054183 HEJREMNCUNQTMN-UHFFFAOYSA-N 474.427 2.188 10 20 JECD COc1ccc(N2CCC(NC(=O)c3ccc4c(c3)S(=O)(=O)N(C[C@H]3CCCO3)C4=O)CC2)cc1 726562980 SZJDYRCORIDZHK-OAQYLSRUSA-N 499.589 2.418 10 20 JECD CS(=O)(=O)NCCN1C(=O)/C(=C/c2cnn(Cc3ccccc3Cl)c2)SC1=S 727176993 ACXCCNDEARCNTF-NVNXTCNLSA-N 457.002 2.335 10 20 JECD C[C@H](c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1)N1CCOCC1 729784220 GHBDUMYGIOOYNT-GOSISDBHSA-N 484.572 2.435 10 20 JECD CC(C)N(C)S(=O)(=O)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 729913971 LECIWWRGPFVICW-MDWZMJQESA-N 492.442 2.352 10 20 JECD CNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1 915416395 FAVIRZZMMHDZCU-GFCCVEGCSA-N 482.470 2.147 10 20 JECD C[C@H]1CN(S(=O)(=O)N2CCN(Cc3c(O)ccc4oc5c(c34)CCCC5)CC2)C[C@H](C)O1 917427723 IAHNMARKPPOLOF-IRXDYDNUSA-N 463.600 2.489 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3-n3cncn3)cc2F)C[C@H](C)O1 918287294 OYLFINWOYYWRIM-HOTGVXAUSA-N 452.490 2.275 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 918439085 RMTYZNMWWUWOIL-UHFFFAOYSA-N 482.512 2.085 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C(=O)c3cnn(C(C)(C)C)c3)cc2F)C[C@@H](C)O1 919432761 RBVDDNIRQJLRLA-IYBDPMFKSA-N 474.533 2.433 10 20 JECD CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 919766791 UMHAWHWZEINRLL-NRFANRHFSA-N 463.625 2.240 10 20 JECD C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)c1ccc(N2CCOCC2)cc1 920882805 ZEEFULNBEHWEEW-LAUBAEHRSA-N 499.589 2.338 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCc3cccc(CN4CCN(C)CC4)c3)CC2)cc1 1251578000 ZHBOYCUXNLCQNJ-UHFFFAOYSA-N 494.684 2.454 10 20 JECD Cc1ccc(NCCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)c(C)c1 1779116578 LZZOAHOAKUEADC-XMMPIXPASA-N 454.527 2.055 10 20 JECD Cn1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(C(F)(F)F)n1 1782007605 VEULJZYFLJUNRH-LJQANCHMSA-N 488.850 2.261 10 20 JECD COc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785508199 AEASWMDSLAAIAD-ZAZOWEHVSA-N 482.533 2.288 10 20 JECD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccccc1 1785544128 CRGSSGSOZWKMPK-VJAVOHLOSA-N 452.507 2.450 10 20 JECD O=C(/C=C/c1cc2ccccc2o1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1788109284 GSMSUPOQTFETQE-XRLICQSESA-N 499.614 2.286 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)c(F)c3)C[C@@H]21 1792217584 AMBIGMGTBHWDOM-FUKOYUCFSA-N 474.460 2.388 10 20 JECD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1800759303 RBKNLALZBXABHM-QDMKHBRRSA-N 455.471 2.033 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CCC(CC1)CC2 1801523158 FJZIJYUDTQXHQV-NXYJTUGNSA-N 456.539 2.377 10 20 JECD COc1cc(F)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1801646606 YCPCNNQMIBARJD-DBWKPXFBSA-N 464.877 2.416 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1nc(O)n2c1CCCC2 1804286494 ZULWMCGXPSIITA-BEVBHUTCSA-N 468.510 2.007 10 20 JECD O=C(CCc1cnc[nH]1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1804428816 ATZBMEHBMQBBIZ-MJVRMULPSA-N 477.521 2.274 10 20 JECD CN(C)C(=O)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1808001024 KWMOXCBVLWXSPE-CVDCTZTESA-N 489.532 2.223 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cnoc1 1808528840 DCEWHGGBXSDCOX-XGBCVQCSSA-N 450.451 2.219 10 20 JECD CN1CCC[C@@H](C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)C1 1817361764 FWFXUOZLIWXBEF-HZPDHXFCSA-N 480.594 2.190 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)C3(C(F)(F)F)CC3)sc2C1 1818850776 HJTDCHJZMWZVGS-MRVPVSSYSA-N 478.543 2.258 10 20 JECD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccccn1 1822903106 FQJQYFMGUAPRSZ-CJNGLKHVSA-N 472.596 2.461 10 20 JECD Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)nc1 1823496608 MZZNJWLCAMRFKL-HNNXBMFYSA-N 458.569 2.279 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c[nH]nc23)[nH]n1 1823499036 ZMBWYRFTALFDFD-HNNXBMFYSA-N 483.579 2.452 10 20 JECD COc1nn(C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1825733922 LXYNJKJWWAWJIR-JOCHJYFZSA-N 492.580 2.455 10 20 JECD CS(=O)(=O)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)c1 1827423902 AOVQJGFVRQYCPU-HXUWFJFHSA-N 487.578 2.443 10 20 JECD O=C(c1cc[n+]([O-])cc1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716215 GHCRCIZVABCSFV-HSZRJFAPSA-N 475.549 2.346 10 20 JECD Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)nn1C 1828195026 HYQJYZWTFOFJJM-PXYYCUNGSA-N 483.550 2.170 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccs1)CC2 1828240699 ZDWIBVDGFYTNBP-VIFPVBQESA-N 452.608 2.291 10 20 JECD COc1ccc([C@@H]2C[C@H]2C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1833445324 ZIPNXVXZLMWFPK-XZOQPEGZSA-N 494.592 2.490 10 20 JECD CN1CCC[C@H]1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833622971 ZVYRTUBWBJXZKM-IBGZPJMESA-N 464.994 2.031 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cn2cc(Cl)ccc2n1 1835313273 SDEANNBNZMURED-UHFFFAOYSA-N 498.971 2.293 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)c3cnoc3)CC2)CC1 1838121416 MIKGBYPDGAMVDV-DUXPYHPUSA-N 457.483 2.117 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348726 ITUYRQRVUGUNQB-IDISGSTGSA-N 496.608 2.079 10 20 JECD CSc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433749 SCSGWIKJCIOFCA-JOCHJYFZSA-N 493.969 2.252 10 20 JECD Cc1ccc(C(=O)C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1840099788 CAIMWJVTWGJTNC-DEOSSOPVSA-N 488.924 2.013 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cc(Cl)c(O)cc2O)C1 1845286637 KLUMRJWKJWSHMF-UHFFFAOYSA-N 468.897 2.361 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1 1847036752 AOLHWXFEVJFTCZ-VQHVLOKHSA-N 451.479 2.292 10 20 JECD Cc1ccc(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1S(N)(=O)=O 21167553 CPCBDRUBUSGASE-UHFFFAOYSA-N 478.482 2.213 10 20 JECD O=C1CN(C(=O)c2ccc(CNC(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)CCN1 726096351 WPUQNXFUUMGJQY-UHFFFAOYSA-N 462.506 2.469 10 20 JECD COc1ccc(N2CCN(C(=O)COc3ccc(O[C@H]4CCCCNC4=O)cc3)CC2)cc1 727757778 BQGAOWGNRDUVFT-QHCPKHFHSA-N 453.539 2.470 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 728139800 RCDLWRJKKJRLCH-UHFFFAOYSA-N 470.545 2.126 10 20 JECD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 728949657 UPUAJXCGQMPFPL-WSTZPKSXSA-N 492.592 2.382 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCc3ccc(NS(C)(=O)=O)cc3)CC2)cc1 916196401 DXTLFBIVMBAINR-UHFFFAOYSA-N 475.615 2.078 10 20 JECD COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)c1 916587567 LYHUJDXCDHIZDO-UHFFFAOYSA-N 492.623 2.351 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)cc2)C1 918006360 VUXNIKPUSISNDL-NRFANRHFSA-N 492.624 2.291 10 20 JECD O=C(Nc1cccc(C(=O)N2CCOCC2)c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918295166 NKIAOTXPYSFVLV-NRFANRHFSA-N 467.522 2.011 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3sccc3NS(C)(=O)=O)cc2F)C[C@@H](C)O1 919371851 HUWRMPPPIIHSPY-OKILXGFUSA-N 499.586 2.346 10 20 JECD C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1317692165 UVWBVNMFNUWYCV-HNNXBMFYSA-N 492.509 2.311 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)C2)C1 1781557746 XZDVCGXQVZAUFH-FQEVSTJZSA-N 467.400 2.149 10 20 JECD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003553 UGICLRXOXZUXDZ-WNSKOXEYSA-N 474.945 2.200 10 20 JECD C[C@]1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)CC1(F)F 1783222773 LHFUEKDFYCKBKM-BPNVYIILSA-N 466.481 2.376 10 20 JECD C[C@@H](Cc1ccco1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510669 WTJUNHIKIAUJBJ-YZPPATINSA-N 456.495 2.118 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1cc2cccc(F)c2s1 1796932492 APCLQUNDDJENIX-IVWMJMPLSA-N 493.607 2.104 10 20 JECD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)ccc2c1OCCO2 1799768506 UNCZRXNRUHENOA-YVWYUNDQSA-N 488.924 2.348 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1cnc2c(c1)CCNCC2 1800718930 KSDXGWKTPRLYIJ-BCDXTJNWSA-N 470.957 2.400 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)[C@H](O)c3ccco3)C2)CC1 1804894370 GDUNZPBSVYEWNI-YHCZKZFASA-N 456.495 2.374 10 20 JECD Cc1noc(N)c1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1807106200 QAGNTZDGDJVPFH-VGSWGCGISA-N 487.520 2.073 10 20 JECD CCn1nc(C)cc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807992602 DFLUEPHIPGGSKO-IERDGZPVSA-N 450.499 2.046 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc3c2OCCO3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996524 UNSNGJLQRQYACU-AOMKIAJQSA-N 476.489 2.292 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)C1 1813022871 CXOHRLZVBLVVKG-PAODICLVSA-N 482.537 2.187 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccn1 1813508621 KOCDODYMQLEHNC-XPIZARPCSA-N 483.619 2.146 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cnco2)[C@H]1c1cccnc1 1814161926 NEBXJJRFQMUYHR-PEOKUMBASA-N 450.451 2.219 10 20 JECD O=C(CNc1ccc(F)cc1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1814842243 ZNNZEDNGFZNGEW-ZDUSSCGKSA-N 493.611 2.167 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1n[nH]c(C2CC2)c1F 1816234967 HERPCHWMTOGZGE-LBPRGKRZSA-N 491.574 2.316 10 20 JECD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)C1 1817843396 LJDUEFPWFKOAGK-ZENOOKHLSA-N 457.487 2.111 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3snnc3c2)[nH]n1)c1cc(O)nc(O)c1 1817846134 IXNYMHVPGAIVHP-AWEZNQCLSA-N 466.483 2.235 10 20 JECD CC(=O)O[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2)C(C)C 1819491435 FEHTWHFZEOCYJG-NSMGADMYSA-N 489.550 2.473 10 20 JECD CCc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)no1 1823500176 UQWNZUGDSDSYGK-AWEZNQCLSA-N 462.557 2.126 10 20 JECD CC(C)N(C)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1827262890 JQMYRBJAUKMFLN-KVEVGEHQSA-N 460.556 2.226 10 20 JECD O=C(c1ccc2c(n1)OCCO2)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827425822 AKHAZJJJQXUIIV-GOSISDBHSA-N 468.510 2.206 10 20 JECD O=C(c1cnc(O)[nH]1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716752 VMQKCSFJTFCCKL-FQEVSTJZSA-N 464.526 2.142 10 20 JECD Cn1cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)cn1 1827717622 QLKRHLMIKZWDJQ-HSZRJFAPSA-N 476.581 2.375 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832259042 FDOSHAYGMVECAI-APWZRJJASA-N 490.651 2.329 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)C3CCOCC3)CC2)CC1 1837755441 XUVCHCUHVUVFEO-DUXPYHPUSA-N 474.554 2.242 10 20 JECD CC(C)N(C)CC(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331547 IFEQJMVSOSKXMQ-OAQYLSRUSA-N 487.645 2.248 10 20 JECD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442229 GTTBSRBXSLVLLC-UHFFFAOYSA-N 490.520 2.271 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cnc(-c3ccccc3)s2)C1 1844548531 LLPJZVYVTLMLCY-UHFFFAOYSA-N 472.617 2.487 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1845061905 XEIUVGPXGBAGKQ-UHFFFAOYSA-N 453.923 2.481 10 20 JECD CC[C@@H](C)[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1847831177 CMYOQIJCQHMWCJ-QAGBHRCTSA-N 488.629 2.313 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(C(=O)Nc2ccccc2)CC1 1847842049 JOJABKIDNRIVBO-NNIASQDCSA-N 477.517 2.437 10 20 JECD Cc1nn2cc(CC(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)c3cc(O)c(O)c(Cl)c3)nc2s1 1847977373 UHRCRAPLDYPFNJ-GJZGRUSLSA-N 461.931 2.222 10 20 JECD O=C(CSc1nncn1C1CC1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 14366848 PXNWWZSAEQCXRO-LZYBPNLTSA-N 489.604 2.451 10 20 JECD O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NCc1ccc(N2CCOCC2)cc1 726236320 KOWUUWCWUNKIJC-UHFFFAOYSA-N 471.989 2.325 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 729034294 JWSCSWJYQQWQRL-CQSZACIVSA-N 465.528 2.313 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(Br)cnc1-n1cccn1 731128065 RSRPEJJNZINXGC-UHFFFAOYSA-N 485.342 2.121 10 20 JECD O=C(COC(=O)CCc1nc(-c2ccco2)no1)NCc1ccc(N2CCOCC2)c(F)c1 918947024 UFFUJQMQCLPQRR-UHFFFAOYSA-N 458.446 2.098 10 20 JECD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919729127 FAOBPDIIUYTIAH-UHFFFAOYSA-N 490.492 2.468 10 20 JECD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 919968569 IHSSSOXMVQGNHA-UHFFFAOYSA-N 459.612 2.497 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 920194807 HTAPUHSWCMZAEW-UHFFFAOYSA-N 450.539 2.404 10 20 JECD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 920482061 FOFPLRGWSZLVJT-UHFFFAOYSA-N 487.625 2.424 10 20 JECD COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 921065910 UOBCJBMRVWZRSO-ALCCZGGFSA-N 494.541 2.344 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCc3ccccc3C1)C2)c1cc(O)nc(O)c1 1777850460 CVMOAHKXYQMVSC-JDRJUVJTSA-N 465.550 2.425 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cc(C(F)F)no1)CCO2 1782002773 VQLLKQUATVIAIV-IBGZPJMESA-N 457.817 2.434 10 20 JECD O=C(c1ccc2nc[nH]c2c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005405 DGOUNXDMCXRSPD-QFIPXVFZSA-N 456.886 2.385 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1782017644 VPOIPJJAPAJHCA-HSZRJFAPSA-N 483.912 2.089 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3c(s1)CCC3)C2 1783246407 SRJSMJAYXUJWLJ-VGOFRKELSA-N 493.676 2.225 10 20 JECD COc1ccc([C@H](C)C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785503596 MDPFNEMXBSGZIZ-QGCCEIDYSA-N 482.533 2.459 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4C[C@@H](O)C4)[C@H]3C2)cc1 1788120943 GBMZMXJRZCSYMZ-VMYYHUPOSA-N 451.567 2.458 10 20 JECD CCOc1ccsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1792386517 WDYXEDNNJOAJKC-LODQTJKBSA-N 474.535 2.180 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCS(=O)(=O)CC2)cc1 1794090135 HJOVNPLLTSCTFA-VILGAWFOSA-N 498.649 2.076 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796604406 CCDYKJMZYGGRDM-OWLYRPNTSA-N 474.558 2.392 10 20 JECD Nc1ncc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)s1 1807277322 OHBQXXQKYJMGRS-ZIPBJVRUSA-N 481.534 2.270 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc(O)c(F)c1 1810986740 IDLIIMCQTYGMND-QRWLVFNGSA-N 488.566 2.106 10 20 JECD COc1ccsc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814189203 BWAMUDVWKQIAPH-RDTXWAMCSA-N 490.632 2.332 10 20 JECD O=C(CN1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1814530760 FNXWLJSKXOFYGP-INIZCTEOSA-N 480.594 2.334 10 20 JECD Cc1nn(C)c(C)c1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848470 LPSDHFJQPWDIID-QGZVFWFLSA-N 453.503 2.115 10 20 JECD O=C(CCN1CCOC1=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1818695702 JQSJOMQZIQKYCZ-NSHDSACASA-N 480.930 2.276 10 20 JECD Cc1ccn(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)n1 1823476656 LGDMDDNSVZFIID-DBWMJRBXSA-N 466.498 2.437 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)cn2)[nH]n1 1823497413 YKQVUZAGKKEZIK-AWEZNQCLSA-N 462.532 2.110 10 20 JECD Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)ccn1 1823500231 XDSSCDMZSRWGTL-OAHLLOKOSA-N 458.569 2.279 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(n2)OCCO3)CC1 1827532492 MJDGMXZSSQKYHE-SFHVURJKSA-N 468.510 2.206 10 20 JECD COc1cc(CCC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)ccn1 1837096579 HYEHNFQQLSQPIQ-UHFFFAOYSA-N 484.553 2.141 10 20 JECD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(F)c1 1839260840 SQFQGBUMLDBMDB-OGPASDKVSA-N 486.496 2.034 10 20 JECD O=C(Cc1cc(F)ccc1F)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840811896 OMQLWJVBNFWQMI-QHCPKHFHSA-N 496.894 2.342 10 20 JECD CN(CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)Cc1ccc(N2CCOCC2)cc1 15571892 RBEGAIXEOSRPCG-NRFANRHFSA-N 477.652 2.232 10 20 JECD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)C2=O)cc1 24192743 FJEIDSWIYQQANJ-RUZDIDTESA-N 450.539 2.257 10 20 JECD CSc1nc2nc(C)c(CC(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)c(C)n2n1 28039557 HWXITJAZPNBEGL-UHFFFAOYSA-N 456.572 2.273 10 20 JECD CN(C)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1F 116151105 JNALFVYONVXCAQ-UHFFFAOYSA-N 455.939 2.496 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(=O)Nc1ccc(-n2ccnn2)cc1 727037546 OGVJCPPVSCUFKJ-UHFFFAOYSA-N 474.443 2.378 10 20 JECD Cn1cnnc1CNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 915193475 DGAAHSPVYKLZMX-SDQBBNPISA-N 452.359 2.095 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CS(=O)(=O)c1cccc(Br)c1 915567923 WHBXJSHVVFEDPB-UHFFFAOYSA-N 483.384 2.491 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 917708640 LTFJLUIKHWGSAT-HNNXBMFYSA-N 460.437 2.379 10 20 JECD C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)C[C@@H](C)O1 918310003 IYGPAJOKCDIEDY-BGYRXZFFSA-N 494.592 2.370 10 20 JECD O=C1OCc2ccc(S(=O)(=O)NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)cc21 919730135 PGCHBVCSPJWMIN-UHFFFAOYSA-N 483.525 2.091 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)C2)C1 1778297897 HJCYHQQHGVJOAS-PMECCGAFSA-N 479.668 2.283 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc2n(n1)CCCO2 1779036716 QOPOABSDCVQEIY-WZONZLPQSA-N 490.944 2.172 10 20 JECD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)C(=O)OC(C)(C)C 1782002103 RKDWTAPVOPORSP-JOCHJYFZSA-N 483.949 2.062 10 20 JECD Cc1onc(-c2ccncn2)c1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007685 VYEVRXINAOGKHT-QHCPKHFHSA-N 499.911 2.262 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@@H]1C[C@@]1(F)Cl 1782289190 XTOCSTVLASPUGE-DTJFYBITSA-N 476.936 2.218 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)[C@H]1CCC(F)(F)C1 1783454443 RXVFQUUJFQTUTM-DUPRYPCISA-N 474.508 2.194 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2c(c1)OCO2 1795735399 DGMXGEQRIUWNQH-KJZRSFJVSA-N 466.490 2.426 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CCCC2)C1=NN(c2ccccc2)C(=O)C1 1796627498 ZZXIQHCUWIOWRY-VBUUOAMHSA-N 460.538 2.333 10 20 JECD COC(=O)CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1801074848 JILBUPOTEIORBZ-YVWYUNDQSA-N 468.934 2.078 10 20 JECD Cc1cnc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cn1 1805556786 XMHWNZBIYBTMKF-OPWPMMOYSA-N 475.505 2.330 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)cc2F)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808000560 NSVUEIWBUAYVJW-LHSJRXKWSA-N 452.442 2.366 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n(C)n1 1808463261 BDUWSUKGFBEEEZ-DVECYGJZSA-N 485.548 2.236 10 20 JECD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810550256 HCMSZXNAUWHOQS-MSOLQXFVSA-N 457.527 2.093 10 20 JECD Cn1ccc(=O)cc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811806455 NUVTXUAFCWVHPY-YCRPNKLZSA-N 482.924 2.478 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cnn2c1CCC2 1812144813 MSANYTPQCNNCEB-BHIFORQISA-N 489.532 2.374 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc(CO)c(F)c1 1813994968 LWBJUXLBAAXQBO-KSFYIVLOSA-N 466.469 2.153 10 20 JECD Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1814116749 GWSZCGWTHAPBOJ-ZDUSSCGKSA-N 490.632 2.303 10 20 JECD C[C@H]1Oc2ccc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)cc2NC1=O 1816727418 UFWCYSWJYNOEFK-ZWNOBZJWSA-N 495.517 2.208 10 20 JECD Cn1cnc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)c1C(F)(F)F 1817628717 KLMOFMCJEHQRJW-VIFPVBQESA-N 482.444 2.241 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848369 GKNHZJXWJPUXRL-CZUORRHYSA-N 452.471 2.384 10 20 JECD Cn1nccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146551 PJMJGCOZLWCDSC-GOSISDBHSA-N 460.498 2.242 10 20 JECD C[C@H](Cn1cncn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1819545051 IQEMLJAGRQXVKK-BKSCXVJVSA-N 481.513 2.160 10 20 JECD CC(C)n1nccc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1820607902 MRZYGVUSELIHMJ-NSHDSACASA-N 478.625 2.007 10 20 JECD C[C@H](Cc1ccccn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1826546734 SHGWMZFAIWFLTK-TZMCWYRMSA-N 489.648 2.189 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)CC2CCOCC2)CC1 1826735677 HUXPXFPCXRNMAU-GOSISDBHSA-N 467.657 2.283 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccn3cncc3c2)CC1 1828684914 SRCHGTWDWJGKLG-LJQANCHMSA-N 485.635 2.428 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876027 FMOKKLUEXNKSTF-GRWKNNQQSA-N 471.554 2.127 10 20 JECD O=C(Cc1cc[nH]n1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878353 MEXADHLREIHHEO-WSSFADSRSA-N 454.527 2.402 10 20 JECD O=C(CCc1ccccn1)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1833885056 WXSSIESTUBUTIJ-WEVVVXLNSA-N 494.592 2.416 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3ccc(F)s3)CC2)CC1 1837228713 NTVHFIDASBWZMW-UHFFFAOYSA-N 485.628 2.360 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)c3ccc[nH]3)CC2)CC1 1838110518 SZPWYTJHFDCWCS-UHFFFAOYSA-N 463.538 2.420 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)c3ccc(CO)o3)CC2)CC1 1838467819 YUTGZWZMVQXPPI-QHHAFSJGSA-N 486.521 2.214 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)CC3(O)CCC3)CC2)CC1 1838817482 JLSLOGYQGRASDH-HWKANZROSA-N 474.554 2.120 10 20 JECD Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1839313340 ACDZZUFGXYTSSN-OGPASDKVSA-N 486.496 2.034 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CN3C(=O)C(=O)N(CC(C)C)C3=O)c2C)c1 22162598 NZVPYUMXJIGNDP-UHFFFAOYSA-N 497.504 2.297 10 20 JECD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 109190434 OLTLWYALXDUVLD-QGZVFWFLSA-N 459.568 2.272 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c(OCC(=O)O)c2C)cc1OC 726155732 YCYQEXZUEYQIKS-UHFFFAOYSA-N 472.541 2.338 10 20 JECD C[C@@H](c1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c1)N1CCOCC1 729786491 IYOTUYHQKJSVRH-IBGZPJMESA-N 452.555 2.171 10 20 JECD C[C@@H](NC(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1 744859467 SGSNDDWKLAHVJZ-LJQANCHMSA-N 461.607 2.436 10 20 JECD C[C@@H](OC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 845930718 VNTNEIISDLDLAT-XSENSBHDSA-N 498.491 2.139 10 20 JECD O=C(COC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC(=O)NC1CC1 913360434 KJOPJJUKUXHYIY-LCYFTJDESA-N 453.567 2.261 10 20 JECD C[C@@H]1CN(C(=O)COC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CCO1 913364014 VMZYAPSXMYBDCW-PWDRSIHYSA-N 499.408 2.441 10 20 JECD Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456506 GFZOEJGBSAPKNG-UHFFFAOYSA-N 477.491 2.428 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)cc2)C1 918053116 NYSMFVCRVYLGBH-KRWDZBQOSA-N 489.573 2.389 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCS(=O)(=O)c3ccc(Cl)cc3)cc2)C1 919777303 INQFFMNEXRYZGF-KRWDZBQOSA-N 479.002 2.315 10 20 JECD COc1cccc(CC(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c1 921074872 PORBIVDVFSVDCB-UHFFFAOYSA-N 452.555 2.128 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1cnc[nH]1)C2)c1cc(O)c(O)c(Cl)c1 1781122934 DOVVUHVXOBSSPY-SRIRNZLBSA-N 460.918 2.315 10 20 JECD COc1ncc(Cl)cc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785506100 UYYPLSFDSKWIPB-OJZQOFKYSA-N 489.912 2.017 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(CO)on4)C[C@@H]32)cc1 1790126061 NEGNWYQQZCKCNN-APTRMMRNSA-N 478.549 2.482 10 20 JECD CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(O)nc(O)c3)C[C@H]2C1 1796602370 ANKMUMPLLRIMLV-LVJQVDSHSA-N 486.569 2.392 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3cnccc13)C2 1802079702 TWISOGUKYDSGJL-PGTXOHQNSA-N 475.501 2.268 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ncccc1C(F)(F)F 1804335768 DRFPLLBBFPSCRX-ZSBIGDGJSA-N 472.514 2.213 10 20 JECD Cc1ocnc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808470745 XQNHBSBVPLBTNJ-FDDCHVKYSA-N 472.505 2.491 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810548572 AICXNJLKAHYWBI-INIZCTEOSA-N 476.574 2.498 10 20 JECD C[C@H](Oc1ccccc1)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1812762562 RMQMLGYIKSNORN-AQOAWAETSA-N 498.630 2.415 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1O2 1812893159 DXHTUZTZCVTMKM-UYIBYSMUSA-N 479.533 2.485 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c(O)c1 1813784132 ZPYYPXPYVMCHOP-KKSFZXQISA-N 484.603 2.276 10 20 JECD Cc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)cc1 1813991299 AUTZCVSDAIRQPL-AWEZNQCLSA-N 474.633 2.467 10 20 JECD CN(C)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1817142714 SBVHDNKWZOTQTO-LJQANCHMSA-N 451.531 2.146 10 20 JECD Cc1ccoc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1817428359 RGIWLQRJSNWHTD-SNVBAGLBSA-N 450.567 2.131 10 20 JECD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1822444852 LLRWRRNYWSBBKI-NHYWBVRUSA-N 499.524 2.133 10 20 JECD Cn1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)cccc1=O 1825737175 BNKDVDHEYIZEAM-JOCHJYFZSA-N 489.576 2.412 10 20 JECD C/C(=C/C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2)C(=O)O 1828082359 PQWKKWMQZYABRM-PENHIPQLSA-N 451.888 2.464 10 20 JECD Cc1c(F)cccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1830164373 MPRUZQFWTJKFPN-UVXPNCNTSA-N 486.496 2.034 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@@H]3CCC(=O)N3C2)CC1 1830208135 RMWZSGNOJAVMBH-RLLQIKCJSA-N 470.570 2.127 10 20 JECD Cn1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)n1 1832877544 QHWVVRRCQHSBFY-CPSHHHPTSA-N 468.554 2.413 10 20 JECD O=C(CCOc1ccc(F)cc1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833190556 OZOQPJWQHLXYKE-UHFFFAOYSA-N 486.544 2.286 10 20 JECD O=C(CSC1CCCC1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833457915 JZCUMERMHFJARA-UHFFFAOYSA-N 462.616 2.354 10 20 JECD COc1ccsc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988696 FYQLVEQNTIRSGO-UHFFFAOYSA-N 460.556 2.062 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/C3CC3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134625 OJHKBBNSXOQFFD-CMDGGOBGSA-N 463.582 2.317 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)c3ccon3)CC2)CC1 1837561006 ZQRQTAPBNJFOPG-UHFFFAOYSA-N 465.510 2.080 10 20 JECD Cc1ccc(S(=O)(=O)CC(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1842759262 VIXOWIRIPPUKMX-UHFFFAOYSA-N 478.954 2.351 10 20 JECD COc1ccc(N2CCCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)CC2)cc1 108432821 PLGFQOHRHAILCH-UHFFFAOYSA-N 477.558 2.208 10 20 JECD O=C(CN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1)NC1CCCCC1 728750209 VGXCLVWYDDTDGT-UHFFFAOYSA-N 475.609 2.063 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CCc3nc4ccccc4oc3=O)CC2)cc1 747703361 RZAPPZAZLPUFAE-UHFFFAOYSA-N 450.539 2.458 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)CC2)cc1 749159859 MYHSXDKTYVEQNO-NRFANRHFSA-N 492.667 2.238 10 20 JECD Cc1ccccc1CC(=O)N1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 750328852 VUYQCCFRSGGPKL-HSZRJFAPSA-N 477.609 2.293 10 20 JECD NS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 817949355 JOGUYZRKOCPSQF-UHFFFAOYSA-N 453.523 2.030 10 20 JECD CCCNC(=O)CN1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 916518783 KUBANGRMCATSDJ-UHFFFAOYSA-N 485.551 2.332 10 20 JECD C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN(C)Cc3ccc(N4CCOCC4)cc3)CC2)C1 917020507 QSUPIAYPMDHMCM-OAQYLSRUSA-N 456.631 2.452 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1OC 917759148 KBHHNINSBULSKR-UHFFFAOYSA-N 457.530 2.225 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3cc4c(cc3O)OCO4)cc2F)C[C@@H](C)O1 919452005 RUBGMMWGRFAIBG-ZIAGYGMSSA-N 460.458 2.347 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 919767183 NRKIUJNCSTWMBG-UHFFFAOYSA-N 468.579 2.001 10 20 JECD CC(C)n1nccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127213 ABXVUKVYFDATSK-ATIYNZHBSA-N 492.580 2.384 10 20 JECD COC(=O)c1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1784158793 HDAQESUNRZWFSD-XMMPIXPASA-N 488.924 2.224 10 20 JECD Cc1ccc(NCCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)c(C)c1 1788667684 HTZDRZVKKZGMER-CUWPLCDZSA-N 468.554 2.205 10 20 JECD CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1791810338 JFPUAMUTMYZRJI-QQDKQVRDSA-N 465.978 2.217 10 20 JECD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1793700819 JWXZQCRIKSRECG-VPTLXERWSA-N 489.912 2.495 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(Br)c(Cl)c1 1799517406 DKXYKPAYJGNDAE-IVWMJMPLSA-N 496.745 2.426 10 20 JECD COc1cc(/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)cc(OC)c1OC 1801582410 CFEUAIYSHPOMHW-WWCSPDMBSA-N 483.521 2.484 10 20 JECD COc1ccc(Cl)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c1 1804340723 YYEQUBCCQXQTDM-CLLJXQQHSA-N 468.000 2.461 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnc3ccccc3n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995170 DMMPOKLGQVIQTN-HJPURHCSSA-N 470.489 2.464 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc(OCCCO)cc1 1811380038 SOKQDSXMZCMODO-CYFREDJKSA-N 492.532 2.282 10 20 JECD CCOC(=O)O[C@H](C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1812368974 VJQHZWIEKLIYLW-OFWGVEALSA-N 499.520 2.479 10 20 JECD CSCC[C@H](O)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813095397 GWMFXYSVMGZFAV-WEOAJZPDSA-N 487.578 2.032 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)COc2cccnc2)[C@@H]1c1cccnc1 1814161528 HOOCGJWXSLTKBD-OXOXJNMLSA-N 490.516 2.392 10 20 JECD O=C(Cc1ncccn1)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1816000722 KRRJUDAKCCFVGE-BVBGJJFLSA-N 464.482 2.265 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCO4)sc2C1 1819123719 XDFNKEBCZKMKAW-MXPWBENCSA-N 497.533 2.178 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2)n1ccnn1 1824690635 HAGIILRXUOBRFP-MWLCHTKSSA-N 462.919 2.286 10 20 JECD Cc1cc(C)n(CCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)n1 1826576557 WDBAFCRMOJIHHX-CQSZACIVSA-N 456.528 2.079 10 20 JECD Cn1nc2c(c1C(=O)N[C@H]1CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C1)CCC2 1828198157 SIZFFHGQVGHWMQ-PPOCWRSBSA-N 495.561 2.421 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnoc1C1CC1)CCO2 1834617090 FYDZJDBKGRYTJB-JOCHJYFZSA-N 477.901 2.000 10 20 JECD O=C(CC1CCOCC1)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1834630437 KQRTWJOMDBSUMM-DUXPYHPUSA-N 487.597 2.205 10 20 JECD Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c(O)c1 1834988377 KRTLDERULGIVNF-UHFFFAOYSA-N 454.527 2.006 10 20 JECD CC(C)O[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835132686 DIWQPSPVPCYJTM-LJQANCHMSA-N 483.613 2.164 10 20 JECD CN1CCCC[C@@H]1C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836724244 NGVOYHSPKBDZQH-XMMPIXPASA-N 495.624 2.262 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)C3(Br)CC3)CC2)CC1 1838030334 OKDWQTSBTHAOMV-UHFFFAOYSA-N 468.348 2.033 10 20 JECD O=C(Cc1ccccc1O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031728 IFZZTLCCIBHWKX-UHFFFAOYSA-N 455.511 2.053 10 20 JECD Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)c(O)c1 1838821068 SNVPSYZJEPCWQJ-UHFFFAOYSA-N 491.635 2.173 10 20 JECD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1839431660 GUZZEKHIIQNIMG-XMMPIXPASA-N 490.940 2.073 10 20 JECD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)ccc1F 1839435187 FCBNKNNQNYZJKI-QHCPKHFHSA-N 494.903 2.283 10 20 JECD C[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)CC1 1840532223 KDGVPGLYKPCTBN-YXNRMQQYSA-N 474.554 2.099 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2nc(Cl)ccc2F)C1 1842136114 LZFHIKNKWXASBX-UHFFFAOYSA-N 455.877 2.484 10 20 JECD Cc1cc(Br)ccc1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055030 ZYDIXLGYUNUJBD-UHFFFAOYSA-N 482.425 2.435 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](CN4CCN(c5ccccn5)CC4)C3)CC2)cc1 303043802 SXERBSAXIGBTNB-DEOSSOPVSA-N 492.668 2.273 10 20 JECD O=C(NCCCO)C1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 726722966 ZXLPZYMNNCODAZ-UHFFFAOYSA-N 454.518 2.177 10 20 JECD CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(S(N)(=O)=O)c1 729227858 ZWZXXBSZPPNUKR-IBGZPJMESA-N 450.536 2.260 10 20 JECD CCOC(=O)c1sc(N/C=C2\C(=O)NC(=S)N(CCOC)C2=O)nc1-c1ccccc1 747840182 JWEFGUALKZWWHK-ACCUITESSA-N 460.537 2.172 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 749498870 FRAKRAXMVDQBEK-FQEVSTJZSA-N 455.486 2.312 10 20 JECD O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 807755284 LSIAOOFPLNEYQD-IRXDYDNUSA-N 474.469 2.119 10 20 JECD CCOC(=O)N[C@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C1 917191845 ZZSVMEANBQCKPW-HNNXBMFYSA-N 492.510 2.452 10 20 JECD CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 917832824 HGVZUGYDTJJXBL-HXUWFJFHSA-N 472.611 2.347 10 20 JECD O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 917918027 JQWXRUWTWTZODO-UHFFFAOYSA-N 475.464 2.433 10 20 JECD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 918285966 CLLNPLPTPQPDKV-HZPDHXFCSA-N 456.518 2.362 10 20 JECD O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 918671729 VPSHMXDIHVVENB-IBGZPJMESA-N 471.535 2.099 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(S(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1 918820154 LPLXTCHJXCKOTH-IYBDPMFKSA-N 478.542 2.316 10 20 JECD NC(=O)c1cccc(CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919785297 XBMDCQHAUUMOAR-UHFFFAOYSA-N 463.517 2.041 10 20 JECD C[C@H](C(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c1)n1cccn1 920194255 AJZNBFZHFZSWBL-GOSISDBHSA-N 476.537 2.174 10 20 JECD COC(=O)COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1 920926955 SVPHTCLTXFFGKV-QGZVFWFLSA-N 455.511 2.199 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3ccc4cc(O)ccc4n3)C2)C1 1777699622 JUIFWLSHQNMJSE-VYRVQILBSA-N 491.500 2.214 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CC[C@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)c2c1 1778509571 PWNXTBXHGSOLAT-UGRMLPBFSA-N 493.516 2.450 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1778592049 LZERIRSMNNDNPO-QFIPXVFZSA-N 456.886 2.385 10 20 JECD COc1ccc2[nH]cc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3cc(O)nc(O)c3)C4)c2c1 1779008874 LSVFVYNMGYLWHG-CJFMBICVSA-N 480.521 2.424 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004544 ZZSBTWHVWAVVOQ-FATZIPQQSA-N 497.976 2.356 10 20 JECD Cc1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)cs1 1785296699 ZPAWAAVASRPVJN-QITLCBANSA-N 465.959 2.352 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790243015 NGIFQRGWAGKMAU-JQIPMYIQSA-N 499.995 2.401 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4c3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790246300 UZHNEMAFXGGYGX-ROOHIHILSA-N 470.913 2.306 10 20 JECD CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)cc1 1792239729 HZYHRGUYMCLCCY-FHWLQOOXSA-N 475.636 2.093 10 20 JECD COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1796586380 FNPXEENTRNGZBW-BRTYFSMRSA-N 491.592 2.454 10 20 JECD CCN(CC)C[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796934711 HBKIUWYSIJRSCL-RMVXJAJNSA-N 453.587 2.395 10 20 JECD O=C(C[C@@H]1COc2ccccc2O1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1803459407 KPNLWVMEWITGMJ-MVIPISOYSA-N 490.516 2.438 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1cccc(O)n1 1805670764 HOBPWSLTLXWCQQ-HOYKHHGWSA-N 484.516 2.295 10 20 JECD Nc1ncc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)s1 1807271941 HEQTXBIXGGNTLX-IERDGZPVSA-N 489.561 2.233 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3ccc4c[nH]nc4c3)C2)CC1 1810611141 CSHRHOYMYMMXQY-UHFFFAOYSA-N 471.608 2.268 10 20 JECD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)no1 1813334473 HQKMYUJLYJBDAM-QLFHSEGHSA-N 478.505 2.457 10 20 JECD Cc1ncccc1CCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814185378 QJAZNVVFWJPXJC-AUSIDOKSSA-N 497.646 2.284 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cccc4c[nH]nc34)sc2C1 1816813655 FSBGUUILFNZLPI-NSHDSACASA-N 486.604 2.106 10 20 JECD Cc1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)cn1 1817363546 IKAXOLBMVVQFGV-CQSZACIVSA-N 475.534 2.260 10 20 JECD CN1CCCC[C@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1822587169 AQJPNTIULRGAAJ-KXBFYZLASA-N 480.594 2.332 10 20 JECD N[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)c1cccnc1 1826984808 AQQMXRPJDNTZIS-PMACEKPBSA-N 453.543 2.211 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)CC1 1829518080 ZQXDXUBLFRZDKT-CYXJOQHWSA-N 467.522 2.384 10 20 JECD O=C(CCc1cnc[nH]1)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833789044 WMXWVUYYLYDACW-UHFFFAOYSA-N 475.977 2.292 10 20 JECD O=C(/C=C/c1cccnc1)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1833858279 FUORJCIIVOJHAR-IUMFQGNOSA-N 492.576 2.497 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)C3CCCCC3)C2)C1 1839431732 JAXIPWGLLNDRCO-QFIPXVFZSA-N 452.935 2.402 10 20 JECD COc1cc(CC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)ccc1[N+](=O)[O-] 1847038491 UAYQFRQUHJGFEY-VMPITWQZSA-N 483.477 2.180 10 20 JECD O=C(NC1CC1)c1ccc(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c([N+](=O)[O-])c1 19101665 VSEJKABGHKVALJ-UHFFFAOYSA-N 488.551 2.003 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)cc2F)C[C@@H](C)O1 726277340 MLIOFMWFKVSGIK-JBYIUTFZSA-N 463.598 2.181 10 20 JECD Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C)n1-c1cccc(Br)c1 728699457 VHIZYSHMKBNUBZ-PMACEKPBSA-N 496.427 2.084 10 20 JECD COc1ccc(N2CCN(C(=O)C[S@@](=O)Cc3csc(-c4cnn(C)c4)n3)CC2)cc1 729870409 BFAFNKAIJKQSAU-HKBQPEDESA-N 459.597 2.150 10 20 JECD NC(=O)COc1cccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 913317760 KVXZBMRRUKVERC-UHFFFAOYSA-N 458.426 2.122 10 20 JECD COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2nc(C3=S=CC=C3)n[nH]2)cc1 917127985 WGBRYDLGMLHHFN-UHFFFAOYSA-N 455.521 2.492 10 20 JECD COc1cccc(/C=C(\C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n2nnnc2C)c1 917834007 GGMFERDRJBITHZ-BTVXTAIASA-N 475.553 2.006 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 918307492 XHDRTPIPVHXTON-UHFFFAOYSA-N 462.547 2.419 10 20 JECD CC(=O)N[C@H](C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CCCC1 919697800 KIRFHHXXXIHQPX-QFIPXVFZSA-N 454.550 2.253 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCNc3ccc([N+](=O)[O-])cc3)CC2)cc1 920256239 UGDIKRGOYSFABL-ZHACJKMWSA-N 453.499 2.037 10 20 JECD Cc1cc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1Br 1318014318 KFSNKQKDYWWLQY-AWEZNQCLSA-N 469.357 2.317 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 1783814626 YVQNNIWCSBWYNI-FCGYBERRSA-N 464.518 2.450 10 20 JECD Cc1ccc2oc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)cc2n1 1785509218 PJUHNMFCKKWLLW-CIFMFNLYSA-N 479.489 2.410 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc5ncccn5n4)[C@H]3C2)cc1 1787938066 NYDFTYDXGGJHQM-PMVMPFDFSA-N 499.575 2.439 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(=O)C1CC1)C2 1796750340 XAYFTRSYRSJJLY-PLACYPQZSA-N 484.597 2.322 10 20 JECD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2)N1CSCSC1 1798528442 SMUIZLUPLSHOLS-INONVRRSSA-N 479.624 2.498 10 20 JECD COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c(Cl)c1OC 1804334117 AJCLFBJAKFYYOL-CLLJXQQHSA-N 498.026 2.469 10 20 JECD O=C(CCOc1ccccc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1806354199 RAOFCORAQSATDT-FDDCHVKYSA-N 498.630 2.417 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2ccc(O)cn2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470198 UBARCUGCTLOEPQ-BCHFMIIMSA-N 498.543 2.224 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cccc3nc[nH]c23)[C@H]1c1cccnc1 1814189687 WBYCVJLQRAMXGK-VFNWGFHPSA-N 494.602 2.138 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2)N1C[C@H]2C[C@H]2C1 1819582353 ZZQLDAAPNVHNQA-YPOVHQQRSA-N 484.578 2.226 10 20 JECD COC(=O)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1822627075 VQZSARRKNJLEOB-CYBMUJFWSA-N 451.867 2.136 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccc(CO)c(F)c1 1823326024 MILXILZAKXGOMS-KRWDZBQOSA-N 455.446 2.467 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2nc3ccccc3[nH]2)[nH]n1 1823498650 SQYPJZPRTVAASF-HNNXBMFYSA-N 483.579 2.452 10 20 JECD CC(=O)NC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708266 OSMHESUALGAUCM-NSHDSACASA-N 466.947 2.348 10 20 JECD Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)nc2nccn12 1827429693 PAANBSSHVMOGFV-LJQANCHMSA-N 464.526 2.391 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cn3ccccc3n2)CC1 1828059677 OADUYOPXIMABAN-GOSISDBHSA-N 485.635 2.428 10 20 JECD O=C(c1cncs1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898747 XVLKLYLHPJPRSA-AWEZNQCLSA-N 452.627 2.237 10 20 JECD O=C(c1cccc(F)n1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901990 WOOGDQSOYBJFFF-MRXNPFEDSA-N 464.588 2.314 10 20 JECD O=C(c1[nH]nc2ncccc12)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902469 NBNDDYWJOWFWNB-INIZCTEOSA-N 486.623 2.052 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccccc13)CCO2 1836942616 HNBGDMKZUWALLV-QHCPKHFHSA-N 486.912 2.011 10 20 JECD O=C(Cc1ccccc1F)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837709235 TZPWLELVFRLSAH-UHFFFAOYSA-N 457.502 2.487 10 20 JECD COc1ccsc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1838295731 OCNPWIAPKDDQPI-NRFANRHFSA-N 482.942 2.205 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)CCC3CCCC3)C2)C1 1840880462 QFRWSXCVMPNRER-CZNRWDAFSA-N 474.554 2.243 10 20 JECD CC(=O)Nc1ccccc1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1846836561 NWTRVCKPYPMHAY-UHFFFAOYSA-N 459.506 2.255 10 20 JECD NC(=O)[C@@H]1CCCN(CCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 729505832 NETNVNUPMSAOCS-MRXNPFEDSA-N 453.534 2.143 10 20 JECD O=C(NCCCCN1CCN(c2ncccn2)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 729614606 MAMVOCQEODJIMK-JOCHJYFZSA-N 468.602 2.475 10 20 JECD Cc1cc(C(=O)[C@@H](C)N2CCN(S(N)(=O)=O)CC2)c(C)n1-c1ccc(OC(F)F)cc1 914787944 MAECBHNDRGGUPW-OAHLLOKOSA-N 456.515 2.088 10 20 JECD Cc1cc(CN2CCN(CC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)CC2)no1 916986219 OZAMNEFRFVABID-OALUTQOASA-N 459.566 2.170 10 20 JECD O=C(N[C@@H]1CCN2CCC[C@H]2C1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 917291997 GMORUVACOLNBCD-ZBFHGGJFSA-N 460.512 2.458 10 20 JECD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(N3CCOCC3)c2)c1 918371142 FNQOXGRUJUONPJ-UHFFFAOYSA-N 498.399 2.463 10 20 JECD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918465197 IGIGMVOFNCASPX-HXUWFJFHSA-N 479.581 2.090 10 20 JECD C[C@@H]1CN(c2ccc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cn2)C[C@@H](C)O1 919100641 NVQRJXYUORFGOR-QZTJIDSGSA-N 486.544 2.144 10 20 JECD CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 919878247 LROCDOKVGZPZKS-UHFFFAOYSA-N 483.587 2.342 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccccc1N1CCN(C)CC1)c1ccc(N2CCOCC2)cc1 920927364 VUGNQQJRBZCTGG-LJQANCHMSA-N 451.571 2.091 10 20 JECD Cc1cc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c(C)s1 921122440 JFXUQJFAYARSQI-UHFFFAOYSA-N 478.640 2.418 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1c(F)cccc1F)C2)c1cc(O)nc(O)c1 1777852145 FKRAGEKFSWSFSH-WZONZLPQSA-N 461.465 2.141 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccncc1C(F)(F)F 1778273269 UKVNQBNIWGHWKD-IIBYNOLFSA-N 480.443 2.348 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(F)(F)F)C2)C1 1780569507 HXHUGKCBGCDJPR-HXUWFJFHSA-N 451.401 2.269 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 1784186948 YVQNNIWCSBWYNI-ITFSHRRLSA-N 464.518 2.450 10 20 JECD COc1ccc(F)cc1C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1785020633 HVUONAQGLHVILL-VWLOTQADSA-N 480.496 2.071 10 20 JECD COc1ccc2c(c1)CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]31)C2 1788179255 YCVZGOZXGXWGAR-CQOCVSQPSA-N 495.576 2.290 10 20 JECD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)ccn1 1790245095 QLEDIUGZSNYYSS-YEWWUXTCSA-N 461.902 2.062 10 20 JECD O=C(/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2)NCc1ccccc1 1793074868 ZIJJYILLUBFMRR-YEMQZTKUSA-N 491.544 2.327 10 20 JECD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2)C(=O)OC(C)(C)C 1795767834 AEINRRWWMZULEF-NCSHHQJSSA-N 475.542 2.322 10 20 JECD CCc1cc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n(C)n1 1810923662 UJHHFFDECARGEL-CLOONOSVSA-N 499.575 2.490 10 20 JECD O=C1COc2ccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)cc2N1 1817845948 CVOMVPHVAROPEX-MRXNPFEDSA-N 478.465 2.167 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cncs2)[nH]n1 1823496648 NTLFIUSQKCCGMR-NSHDSACASA-N 450.571 2.032 10 20 JECD COc1cc(F)ccc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1827483972 NENKFFLPZUAIOD-LLVKDONJSA-N 494.595 2.377 10 20 JECD Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)on1 1828195564 QXSGQDHVPLKKQF-LPZVBRGNSA-N 470.507 2.424 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)[C@H]2CC2(F)F)C1 1843852743 KWBOXSIMHRCFBB-HZPDHXFCSA-N 495.523 2.392 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)CC2)cc1 749564179 VMPNQHHYWLAADK-QHCPKHFHSA-N 494.592 2.357 10 20 JECD CCN(CC)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1 916503245 JAGUOKQTABMSRC-UHFFFAOYSA-N 472.611 2.316 10 20 JECD CON(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1Cl 917833200 OCFVCUQUGREBLF-QGZVFWFLSA-N 495.001 2.154 10 20 JECD O=S(=O)(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc2c(c1)CCO2 919730521 ZPQYJGWHZXCCFB-UHFFFAOYSA-N 469.542 2.356 10 20 JECD O=C(O)c1cc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)ccc1Br 919730668 MKDAHUTYKQYUFX-UHFFFAOYSA-N 455.330 2.462 10 20 JECD Cc1ncc2c(n1)CC[C@H](NC(=O)NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)C2 919782027 AMRYTLSUCIZTNK-FQEVSTJZSA-N 476.560 2.397 10 20 JECD CCOc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1S(=O)(=O)N(CC)CC 919810157 CETBLAALUVEGBL-UHFFFAOYSA-N 485.584 2.445 10 20 JECD Cc1sc(=O)n(CC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1C 920628854 LZCDPPVWLXKJGU-UHFFFAOYSA-N 450.472 2.484 10 20 JECD Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)c(C)c1 1780346403 ADACKQBLDVNDJL-WZONZLPQSA-N 475.636 2.291 10 20 JECD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)n1ccccc1=O 1781122112 MGBZFFXHEIYQRQ-OFJJYEOVSA-N 489.956 2.302 10 20 JECD CCN(C)[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781122990 KIRNPMMKSNPVDL-JPEVHGAISA-N 453.967 2.219 10 20 JECD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)ncc1[N+](=O)[O-] 1782005701 WLYUKHWLPURZFP-OAQYLSRUSA-N 476.873 2.120 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4sccc4c3O)C2)C1 1782400047 SWABKPYXPQXJEW-JOCHJYFZSA-N 455.492 2.170 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(F)cc1F)CCO2 1785510286 TUUGJAOYCSGZHX-GTYDBAGRSA-N 460.433 2.239 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)s1 1787537257 JOJORFDAKZYGCJ-IEZWGBDMSA-N 482.562 2.143 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3F)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540106 DYXXERIKRAOWCY-BPXKWBHBSA-N 464.497 2.212 10 20 JECD CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)cc1 1789662934 AAGOTDRMSUYWAA-FHWLQOOXSA-N 475.636 2.093 10 20 JECD CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)CC1 1790976645 LHSKOIBJVNZMRO-VMXHOPILSA-N 481.684 2.289 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cnn(C)c2)C3)cc1 1799622333 HZLLXURAJAXKCS-BRTYFSMRSA-N 461.566 2.274 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1cccn2c(O)nnc12 1800714800 GFPAKXZTBZVRIR-CLLJXQQHSA-N 457.874 2.065 10 20 JECD CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1800735092 PXMYVGOMSWMJCR-QDMKHBRRSA-N 494.957 2.083 10 20 JECD COc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807991134 GBDQTYNILUPRPJ-MZNJEOGPSA-N 478.505 2.295 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnc(-c3ccccn3)nc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993937 RDWKPNDGZPEODZ-SBUREZEXSA-N 497.515 2.373 10 20 JECD COc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(O)c1OC 1807999759 NBAFQGCTLZATRR-BTYIYWSLSA-N 494.504 2.244 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccncn1 1808515705 BLAUPKMGAMZJJS-JEYNVIPUSA-N 461.478 2.021 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2c(c1)OCO2 1808986808 FHKUYKWMJKPLIH-ZHRRBRCNSA-N 462.462 2.250 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cc2n(n1)CCC2 1809984806 GLIJYAHZVWQPCP-VREWFTFGSA-N 489.532 2.374 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811799093 VBICCHAOBNSCRV-QRWLVFNGSA-N 468.897 2.413 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)[C@H]1CCCS1(=O)=O 1812497419 JVECNIGZJKBVSW-GDIGMMSISA-N 493.969 2.043 10 20 JECD Cc1cccc(CC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1814186762 WUQHQSGAZGDLOZ-CVDCTZTESA-N 482.631 2.499 10 20 JECD C[C@@H]1CCc2c(C(=O)N3CC[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3c3cccnc3)n[nH]c21 1814189672 VTWZPCZLQDWDAR-VWVPQACVSA-N 498.634 2.034 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc3[nH]ccc3n2)[C@@H]1c1cccnc1 1814189768 YBBYQSSPNBGTRB-YCRPNKLZSA-N 494.602 2.138 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(Cl)c1)CC2)c1cc(O)nc(O)c1 1816721370 KAWWNRJODBCBBC-SNVBAGLBSA-N 461.887 2.243 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(N3CCCC3)ccn1)CC2)c1cc(O)nc(O)c1 1816725845 QCHPABCOHQUSMO-AWEZNQCLSA-N 480.550 2.484 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@@H]1Cc2ccccc2CN1 1817999157 BSDFPMMRDKLOHM-RBUKOAKNSA-N 462.510 2.236 10 20 JECD CCOC(=O)C1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)CC1 1824863700 LAYXSXMLWPBBEQ-AWEZNQCLSA-N 495.561 2.191 10 20 JECD O=C(CCn1ccnn1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717392 DIDAQPFWAKBSAR-JOCHJYFZSA-N 477.569 2.081 10 20 JECD O=C([C@H]1CCOC1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717763 XGHWQFYARHLCIA-UGKGYDQZSA-N 452.555 2.436 10 20 JECD C[C@H](Cn1cccn1)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828195490 OIXVTZCTKMRLSU-RAAGAXANSA-N 483.550 2.418 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)CCN1CCCC1)CC2 1828200888 VPYGNPUTFZTZML-LWUPOJRFSA-N 472.567 2.371 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC=CO2)CC1 1828900097 OCNFUQPHINNFLV-IRXDYDNUSA-N 451.614 2.159 10 20 JECD Cc1nc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)o1 1829299563 QYTGURWRHIPFIZ-MRXNPFEDSA-N 464.613 2.385 10 20 JECD COc1ccc([C@H](C)C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1833236029 MLWBYWOXZRDIMX-KRWDZBQOSA-N 482.581 2.490 10 20 JECD CCn1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)n1 1834274282 HCUSPKKCWLOIAY-UHFFFAOYSA-N 475.977 2.467 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834987486 VXQJLBYCWKEQLE-KRWDZBQOSA-N 468.554 2.146 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)c3cnco3)CC2)CC1 1836980582 KZGRPNJIAOMXMV-DUXPYHPUSA-N 457.483 2.117 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 1840880840 NXUYRHPPWBNLHS-CKUSHTOWSA-N 493.516 2.068 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442124 ANGPIZOFGZVTFM-FQEVSTJZSA-N 495.580 2.382 10 20 JECD C[C@@H](C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)N1CSCSC1 1844320144 MYVJOJRRPNHJEU-YVZNUBBCSA-N 465.597 2.063 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CCCC34CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)c2n1 1844666934 XAAIZWJSTPVRFC-UHFFFAOYSA-N 472.505 2.181 10 20 JECD O=C(/C=C\c1c[nH]c2ccccc12)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056920 URHOJDQBAZAZJB-SREVYHEPSA-N 454.577 2.245 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1cnccc1C(F)(F)F 1848145196 DHYXBTUIOBIZPN-GJZGRUSLSA-N 486.541 2.095 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CC(=O)N(Cc4ccc(C)cc4)C3)CC2)cc1 23474009 PNPUCLKOODGONS-OAQYLSRUSA-N 465.550 2.244 10 20 JECD COc1ccc(N2CCC(NS(=O)(=O)c3ccc(NS(C)(=O)=O)cc3F)CC2)cc1 728294815 IXTMCVMBGWQCKI-UHFFFAOYSA-N 457.549 2.153 10 20 JECD CCCCN(C)C(=O)C1CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 743363323 RPJJYCFJDWJUHM-UHFFFAOYSA-N 459.635 2.497 10 20 JECD COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)cc1[N+](=O)[O-] 746979930 ZVWMSRGPKUBDFG-UHFFFAOYSA-N 495.533 2.025 10 20 JECD CCn1c(CCC(=O)NCc2ccccc2O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 748354952 QMDQBWWRKLJICV-UHFFFAOYSA-N 472.567 2.032 10 20 JECD CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1Cl 917833435 SIZOHLCCHNDGFV-QGZVFWFLSA-N 479.002 2.222 10 20 JECD C[C@H](CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)Cn1cccn1 919783842 WLLHHEZHMYDVOV-GOSISDBHSA-N 452.538 2.274 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC3(N4CCOCC4)CCCCC3)CC2)cc1 920254524 OUZDWVLPQQZLTP-MDZDMXLPSA-N 470.614 2.051 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003284 QQAXMVDWWVFFRU-WHEQGISXSA-N 483.949 2.108 10 20 JECD CCN(CC)[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1)c1ccccc1 1782815310 SFDFEROWVWWOOZ-DHLKQENFSA-N 468.554 2.019 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)nc1 1783222433 UOXNKCAZNXWAHL-BDBNTTMOSA-N 483.521 2.048 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(F)c1F)CCO2 1785510323 VRGOLHFGFFVVAM-NKOINVLESA-N 460.433 2.239 10 20 JECD COc1ccc(F)cc1CC(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510662 WAYXWBZRDPPFJI-UDFXQGOISA-N 486.496 2.037 10 20 JECD CC[C@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)CC1 1792242241 VOIXIVOKTHIHHI-ATIWLJMLSA-N 467.657 2.043 10 20 JECD CN(C)c1cccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1 1793857301 JWZDDUYFCYKMSU-MFKICJERSA-N 489.956 2.099 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1-c1ccc(F)cc1)C2)c1cc(O)nc(O)c1 1796139607 JBSWSPUKZGSCTM-FAQVEIGNSA-N 478.480 2.211 10 20 JECD Cc1cccc(C)c1N1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)CC1=O 1796598742 DBXMNPMLUDIIIB-HAGHYFMRSA-N 478.549 2.415 10 20 JECD CCOc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1799018789 RGIRDYROVDMNRT-JWMIDBARSA-N 468.506 2.119 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H]2CCC(=O)N2C1)c1cc(O)c(O)c(Cl)c1 1799932606 FLUKVLFONQBUII-DWBZUHSKSA-N 461.946 2.404 10 20 JECD C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1800371873 NAOXJJOKHUHDGA-BBNHKIMGSA-N 484.524 2.424 10 20 JECD O=C(Cc1ncccn1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1804695563 WZEFCPXNSIWLGG-VFNWGFHPSA-N 467.913 2.499 10 20 JECD Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)nc1C 1805137709 LTSMAMJEXYUNHE-UTKZUKDTSA-N 483.619 2.273 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cnc2ccoc2c1 1808130385 LHOHSIGNIRMMCB-BTYIYWSLSA-N 495.586 2.403 10 20 JECD Cn1nc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)cc1O 1811798595 SBKWCYUOYVMBRF-YJYMSZOUSA-N 471.901 2.219 10 20 JECD CCc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)n[nH]1 1815895376 JZLDMCVOMBUGOB-CQSZACIVSA-N 477.550 2.447 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1[nH]cnc1-c1cccnc1)CC2)c1cc(O)nc(O)c1 1816727294 MBLSWXBBBVITMQ-ZDUSSCGKSA-N 477.506 2.274 10 20 JECD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)n1cccc1C=O 1817844584 FMUUJUJOJSDTKG-DYVFJYSZSA-N 452.471 2.397 10 20 JECD C[C@@H](Cn1cncn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1829053386 VXSXJLUTJRZHHX-CVDCTZTESA-N 491.596 2.327 10 20 JECD CC(C)(C)OC(=O)CC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896805 QKKRNCBSYUMHMU-MRXNPFEDSA-N 483.656 2.198 10 20 JECD C[C@H]1C[C@@]1(C)C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836366546 WBEKCIFUHNVXOO-HFJWLAOPSA-N 465.598 2.397 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccoc1Cl)CCO2 1838844762 JBHNVPGSHRVWOG-HXUWFJFHSA-N 471.293 2.381 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc4cccnc4n3)C2)C1 1839433870 DUYFRBLFNVUWCM-XMMPIXPASA-N 498.923 2.078 10 20 JECD COc1c(Cl)ccnc1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038322 MHVKPCHVQKTOHL-GQCTYLIASA-N 459.886 2.391 10 20 JECD C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(N2CCOCC2)cc1 109190971 DPTIIPOMBVYOOH-GOSISDBHSA-N 489.594 2.230 10 20 JECD C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(S(=O)(=O)N(C)C)c1 727601140 NCMUIAGZNWDJOG-MRXNPFEDSA-N 464.563 2.473 10 20 JECD CN(CCN1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1)Cc1ccccc1 729598458 AVIQDTYNWGODMQ-VWLOTQADSA-N 492.668 2.348 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)cc1 742920372 OLIREUHRNYSWOX-OAQYLSRUSA-N 486.638 2.034 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C[C@H]3c4ccccc4CCN3C(C)=O)CC2)cc1 742927661 WWQGESZGGNMYRJ-VWLOTQADSA-N 450.583 2.469 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Cc3c(C)[nH]c(-c4ccncc4)nc3=O)CC2)cc1 917938845 KXJQMWCPYXTHSW-UHFFFAOYSA-N 476.581 2.020 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)nc1 918309707 FOICDSHUPDGQRB-UHFFFAOYSA-N 452.433 2.456 10 20 JECD CC(=O)NCC(=O)NCC(=O)OCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 918759519 HHFUNABGHQINDR-UHFFFAOYSA-N 453.417 2.091 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCCn1cccc1)C2)c1cc(O)nc(O)c1 1777851312 VLKUFCRAIHRLIM-NTKDMRAZSA-N 456.543 2.292 10 20 JECD COc1ccccc1CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009605 XCZSRXXMVDTAIZ-HSZRJFAPSA-N 460.914 2.446 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1782462950 ZXAYDZSFSGYAQR-JOCHJYFZSA-N 474.876 2.295 10 20 JECD CCc1oncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783220281 WIDQIEDIXFCSAH-YGBPNOIISA-N 471.510 2.195 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@@]1(F)Cl)C2 1783222865 PLPWSRWCRPYBSA-NKTNCWPWSA-N 468.909 2.255 10 20 JECD CCCCCc1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)s1 1785547380 YSSZDHYLNLHKEQ-OAQYLSRUSA-N 496.680 2.180 10 20 JECD CSCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787537442 UUBZGPQHQREEBN-QRFRQXIXSA-N 472.611 2.148 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787540157 KPVJLQQPIWNHGF-BZVKRPRLSA-N 489.576 2.033 10 20 JECD CCc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)s1 1788772094 YMAOAXNTISQYGS-DEMFTJLTSA-N 473.551 2.129 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)cc1O 1790013511 DDBPUPCYDAXZLY-LEDOBFOHSA-N 476.533 2.087 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cnc2cc(Cl)ccn12 1796059413 XGEBYHXEUPTZKB-GAKFLWOGSA-N 498.923 2.021 10 20 JECD COc1ccc2[nH]cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CN3C(=O)CSC3=S)C4)c2c1 1798065082 GIIXHTLYHRWEBK-BTTYYORXSA-N 472.592 2.289 10 20 JECD CC[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2)NC(=O)OC(C)(C)C 1800185656 JKNLULDHJWRSJN-NXOAAHMSSA-N 462.547 2.438 10 20 JECD Cc1ccc(C)c(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1800605349 CBJNKCCBTIESHV-HJGDSWMPSA-N 466.534 2.266 10 20 JECD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1803263111 ULTKZGQAHIBEMD-CESLVFQTSA-N 479.449 2.422 10 20 JECD COc1nccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1F 1807993377 JIQLAVZPUPKSCG-XOBRGWDASA-N 467.457 2.064 10 20 JECD Cc1nnsc1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1808650500 SDURWSVQGVSRFY-JINHGQCCSA-N 481.534 2.391 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803349 IDGCWYPEFCFQTI-KPZWWZAWSA-N 457.874 2.208 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1cncc(O)c1 1812908430 HVRLTSIICMUTJD-KOSHJBKYSA-N 484.516 2.295 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)C1CCC(O)CC1 1813194524 QYCOWTNLELVUPD-HMCXLGJFSA-N 489.576 2.431 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CC2(O)CCC2)[C@@H]1c1cccnc1 1814165652 JTAPFTSGAYHXKF-IAADTXTGSA-N 467.522 2.223 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2nc3ccccc3[nH]2)[C@H]1c1cccnc1 1814188878 CUEXFASTSLXKLR-QRWLVFNGSA-N 494.602 2.138 10 20 JECD CCc1ccnc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1 1816057946 UFCWXKKCBPRLRM-LBPRGKRZSA-N 475.621 2.187 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CC2)c1cc(O)nc(O)c1 1816728934 OCIVKISIVWABQY-RLVYNTFLSA-N 491.529 2.085 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1c(F)ccc(O)c1F)CC2)c1cc(O)nc(O)c1 1816729124 RGRALFRNCXMETF-VIFPVBQESA-N 462.434 2.473 10 20 JECD Cc1noc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)n1 1817570443 GLMJLKCQUUBSTL-PMGBHYCQSA-N 468.470 2.166 10 20 JECD CS(=O)(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1822972294 KBDBHQYYYRZMDJ-CQSZACIVSA-N 470.935 2.215 10 20 JECD Cn1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)c1=O 1823476402 BWYIUKAGYSAUTL-SYJIQKIWSA-N 479.493 2.245 10 20 JECD C[C@@H]1CCc2c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CN4C(=O)CSC4=S)n[nH]3)n[nH]c21 1823498762 VRAPNLVIWPHKOS-RISCZKNCSA-N 487.611 2.349 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1823815530 IUSMUJSEUDGUKK-NSHDSACASA-N 485.478 2.411 10 20 JECD C[C@@](O)(CC(=O)O)CC(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717445 HXDBZVBTKQRWAG-RLWLMLJZSA-N 498.580 2.015 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cc3n(n2)CCCC3)CC1 1828621422 VVELNTDIIZIFOP-LJQANCHMSA-N 489.667 2.313 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1829096734 DFSZPAQKUOVNEC-MXFAVLBMSA-N 471.554 2.127 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccco3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134715 XPPWZTQWZNXIDS-UHFFFAOYSA-N 463.538 2.258 10 20 JECD CC(=O)C[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838785327 HXTBBHRXWNOIET-MQDFFIGUSA-N 474.554 2.430 10 20 JECD CCCCC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881331 PLPXWLKIOUQAAV-CJAJTKCTSA-N 476.570 2.489 10 20 JECD CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1841750211 VFXBJUCNJBHXAN-DYVFJYSZSA-N 497.976 2.496 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccccc2N2CCCCC2)C1 1845512567 MZKXWBNEIOQMAX-UHFFFAOYSA-N 472.636 2.354 10 20 JECD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1845520097 QWNJUHSBXFUAKY-UHFFFAOYSA-N 490.520 2.271 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC 745299035 ULWWFQBANJCERV-UHFFFAOYSA-N 468.554 2.221 10 20 JECD CN(C)c1ccc(CNC(=O)CSc2nnc(N3CCOCC3)n2Cc2ccco2)cc1 827080988 ALALYVKKUIBBGV-UHFFFAOYSA-N 456.572 2.231 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCCCN3C(=O)c3ccccc3)nc12 918786263 DXLAEUFXCYGZAY-SFHVURJKSA-N 452.467 2.350 10 20 JECD Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cn2)n1 919103726 FNLBCNQXZBAPLT-UHFFFAOYSA-N 467.501 2.333 10 20 JECD Cn1c(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc2ccccc21 1777846641 QWYHUYWUCAASQY-QFQXNSOFSA-N 478.549 2.355 10 20 JECD CC(C)N[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1)C(C)C 1778127260 BFFROSQCPXXARC-LSCGWGKXSA-N 497.640 2.316 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNc4ccccc43)C[C@@H]21 1792218719 NMCQJLWODTWXOJ-BKMMKJMJSA-N 479.533 2.006 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(F)F)no3)C[C@@H]21 1792219243 MFXAXQACTMHIOW-WYJPARRNSA-N 479.436 2.036 10 20 JECD NC(=O)c1ccccc1C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792315018 UBGMVKHPDQHRJH-UHFFFAOYSA-N 482.587 2.394 10 20 JECD COc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1792721447 XASNPGWKQNDXLT-USGNIVHTSA-N 476.913 2.042 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(-c3ccccc3)c3ncccc13)C2)c1cc(O)nc(O)c1 1796138349 WGSATIBQQWDEPW-MRSFGVLCSA-N 499.527 2.349 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnncc2C(=O)O)cc1 1798099597 GBEXSWCTCXDDRX-BBIADKPPSA-N 489.532 2.099 10 20 JECD CN1CCc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)c(O)c(Cl)c3)ccc21 1799768206 MSPLWQLOKREKEM-UPHUGPLXSA-N 471.941 2.261 10 20 JECD Cc1nscc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1805194119 WVGRWWWGMQMBRQ-KBXCAEBGSA-N 475.621 2.026 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccc(O)cn1 1806110354 LWFFGNSOQYLURA-HGALLEHASA-N 476.489 2.332 10 20 JECD CC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1806395097 IPNOXQRSPZUKDH-KHMGOCISSA-N 453.495 2.287 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C[C@@H]2CNc3ccccc3O2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995697 HTJCHSXXGSVBBK-SXMMONRFSA-N 489.532 2.471 10 20 JECD Cc1ccoc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1808504227 IWFUXYDTXKYDNZ-QAPCUYQASA-N 458.565 2.163 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2c(c1)OCO2 1808986800 FHKUYKWMJKPLIH-AOMKIAJQSA-N 462.462 2.250 10 20 JECD Cn1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)cn1 1816451295 SLXUNFVUGNRUNL-IQIBNGDESA-N 452.471 2.279 10 20 JECD CC(C)(C)n1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cn1 1816721305 JEGRBCARXSXNKZ-CYBMUJFWSA-N 456.528 2.440 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3ccc(F)cn13)CC2)c1cc(O)nc(O)c1 1816729509 UXRSNRHJCARUJQ-LBPRGKRZSA-N 468.470 2.276 10 20 JECD O=C(Cc1cnc[nH]1)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1818004891 ZQLUYHYFNAUMRP-IBGZPJMESA-N 460.498 2.161 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)ncn2)CC1 1824655886 LETXOMGHDRQUKZ-OAQYLSRUSA-N 476.537 2.208 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)Cn2cc(Cl)cn2)CC1 1827084052 GKHSKQQPCWERNK-MRXNPFEDSA-N 484.047 2.017 10 20 JECD NC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)c1ccccc1 1827425935 DLZPWCDPAJUGPR-RTWAWAEBSA-N 452.555 2.469 10 20 JECD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)n1cccn1 1828200386 PMWCNICIXLBQBV-OWZHMFJBSA-N 469.523 2.343 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)Cn2ccncc2=O)CC1 1831108135 TVZNFXPISFFVDB-GOSISDBHSA-N 474.945 2.241 10 20 JECD CC(C)C[C@H](C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)N1C(=O)c2ccccc2C1=O 1845240085 BPWRFYRTFOBCAU-LJQANCHMSA-N 492.532 2.021 10 20 JECD CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845502385 RWYRNKMPVTVXLB-OAHLLOKOSA-N 493.944 2.494 10 20 JECD COc1cccc(Cl)c1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1846851865 NHLCUHTZLSCNDM-UHFFFAOYSA-N 453.973 2.026 10 20 JECD O=C1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(O)c(O)c(Cl)c2)CN1C1CCCC1 1848043178 NMTOJTURDRNAKF-JLSDUUJJSA-N 461.946 2.358 10 20 JECD CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1=O 25071361 SFMPHAHTBWVPAQ-RUZDIDTESA-N 466.538 2.210 10 20 JECD CCN(C)C(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2ccc(N(CC)CC)cc2)c1=O 746188439 ADOYVEAPIQFXIM-UHFFFAOYSA-N 457.640 2.459 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCN1CCN(Cc2ccccc2)CC1 915902597 XHHQTNZKTMWZPL-UHFFFAOYSA-N 451.615 2.482 10 20 JECD COc1ccc(CN2C(=O)C(=O)N(CN3CCCN(c4ccc(OC)cc4)CC3)C2=O)cc1 917484775 GVASMSJJXQTJGZ-UHFFFAOYSA-N 452.511 2.164 10 20 JECD CC(C)C[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 917832980 JQIVLZDINVLHEK-MLDBQTBOSA-N 480.609 2.370 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4F)C3)cc2)C1 917834637 LYMJTKCRIZJPSG-IAGOWNOFSA-N 456.493 2.336 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(=O)Nc1ccc(Cn2cncn2)cc1 918274318 BFSZDOUHPUYYOA-UHFFFAOYSA-N 488.470 2.437 10 20 JECD C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)C[C@H](C)O1 918288043 SJKPLQFRHHGFCT-ROUUACIJSA-N 498.555 2.167 10 20 JECD CSCC[C@H](NC(=O)c1ccco1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918372105 LJNHSRKNTDCQNZ-HKUYNNGSSA-N 458.584 2.149 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CN3C(=O)COc4ccccc43)cc2F)C[C@H](C)O1 918964396 RHLDUZSCZZZSJR-IRXDYDNUSA-N 485.512 2.024 10 20 JECD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)c2C)c1 919074093 ZGHYIUBZXHHVIR-QUCCMNQESA-N 472.563 2.164 10 20 JECD Cc1cc(C(=O)COC(=O)c2cn(CC(=O)N(C)C)nn2)c(C)n1-c1ccc(OC(F)F)cc1 920642090 KFMDUTXRBIZSGN-UHFFFAOYSA-N 475.452 2.415 10 20 JECD COCCN1C(=O)/C(=C/Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)C(=O)NC1=S 920980391 LWUZRARSONKQOS-CPNJWEJPSA-N 488.591 2.290 10 20 JECD CCn1nc(C)cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1777843767 UQBUMGMUSOPLRD-ATIYNZHBSA-N 492.580 2.132 10 20 JECD CC1=CC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)CC1 1778100576 HWHSSMFVPODYPM-DFBJGRDBSA-N 450.539 2.356 10 20 JECD COc1ccc(C)c(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1781786333 XALAQRCTNIMPFT-AAHGLTIQSA-N 468.506 2.277 10 20 JECD COc1ccc(F)cc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1785027973 ZWQJWYIXXBFHSS-CMEAPCDJSA-N 472.469 2.108 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc(OC(F)(F)F)cc1 1790031649 PRTZPWVOGBASLX-JQFCIGGWSA-N 481.427 2.299 10 20 JECD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)s1 1794039369 RGWLSIYMWYIVNX-MRSFGVLCSA-N 480.590 2.372 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3occ(Cl)c3c1)C2)c1cc(O)nc(O)c1 1796139569 FNZQVXLYCRVOFS-VTEUUUEMSA-N 457.870 2.409 10 20 JECD COc1ccc(Cn2cc(CC(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(O)nc(O)c3)cn2)cc1 1796598990 UKNQXLNRAHMATM-WKCHPHFGSA-N 491.548 2.241 10 20 JECD Cc1cc(F)c(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c1 1800779973 GWXIIZWXLTYHQM-CLLJXQQHSA-N 453.536 2.385 10 20 JECD O=C(COc1cccnc1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1804340730 GJXTUAZUCMRAFJ-OLCGYDSQSA-N 490.516 2.392 10 20 JECD COc1ccc([C@H](O)C(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)cc1 1805161407 HZAUXJBEGAQXBJ-NRFANRHFSA-N 455.511 2.080 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)N(C)C(=O)OC(C)(C)C 1807667409 BNTZLKNIFLVBGL-QLVMHMETSA-N 499.568 2.463 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccn3nccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808000640 NXEJQADBECSENM-AOMKIAJQSA-N 458.478 2.169 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)[S@](=O)c1ccccc1 1808001218 RUEBSIQOVNQZKM-BGPDRLABSA-N 494.573 2.404 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc(O)n2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808467629 IWHDLDNSWWIYMI-KOSHJBKYSA-N 484.516 2.295 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ncn(-c2ccccc2)n1 1808556713 ZFHIQGWMHJNUHM-VGOFRKELSA-N 485.504 2.102 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](O)CC2)[C@@H]1c1cccnc1 1814167230 ZBIQBEUMHSKWDO-LNGRBJHKSA-N 481.549 2.469 10 20 JECD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)N1CSCSC1 1816726267 SGONMXOYNZHTIN-CMPLNLGQSA-N 481.625 2.218 10 20 JECD CC(C)(C)[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364258 RTCJLTHYJOWKGR-YJYMSZOUSA-N 469.567 2.255 10 20 JECD Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)n[nH]1 1818147284 WUKIZTYKVMGXLP-HXUWFJFHSA-N 474.525 2.469 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC[C@H]1c1cc(NC(=O)C2(Br)CC2)n[nH]1 1820942629 QWWKOIXKJBXUBA-LBPRGKRZSA-N 450.293 2.449 10 20 JECD CC(=O)N(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1824884726 NDEZQGWVSKLAKD-QHCPKHFHSA-N 481.597 2.267 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(=O)oc1)CC2 1828199215 QKXDPZXGLFBSKX-DRRGCAIJSA-N 469.475 2.152 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832875477 NIYNCAKFHNFJHQ-ILUDYIOVSA-N 473.570 2.351 10 20 JECD O=C(CCCc1ccncc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1833059505 YVFHMHBMEUMDKA-DEOSSOPVSA-N 489.956 2.239 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3ccoc13)CCO2 1839588104 LZQHRDDGYAOJQS-UJWGQFCKSA-N 494.500 2.333 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc31)CCO2 1840260993 JBEVVZPNRHMXFL-CFQSTXECSA-N 494.544 2.003 10 20 JECD C[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccccc1 1840881129 DVFJPRBVLNPUSZ-KIVJQPFTSA-N 496.560 2.467 10 20 JECD COC[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1841661893 CSHVGVQYYMKNQK-YLJYHZDGSA-N 474.602 2.191 10 20 JECD Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1842234231 WIKMSGKXVSQVFP-UHFFFAOYSA-N 471.514 2.309 10 20 JECD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034201 DVPZLKIEDRWOOM-FCXRPNKRSA-N 455.423 2.235 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(N2CCOCC2)n(C[C@H]2CCCO2)c1=S 14215462 RAVXXGAFGBHBRU-JOCHJYFZSA-N 488.658 2.356 10 20 JECD COc1ccc(N2CCCN(Cn3nc(C[C@H]4CCS(=O)(=O)C4)n(C)c3=S)CC2)cc1 250810365 VUAUTNZCHTXXPM-QGZVFWFLSA-N 465.645 2.107 10 20 JECD COc1cc(/C=C2/SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc2c1OCO2 726626210 BASAZWTZMBXTCI-LZYBPNLTSA-N 464.546 2.473 10 20 JECD CCOC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1F 728583705 AXEIKWQRFNJDGA-MRXNPFEDSA-N 463.531 2.183 10 20 JECD COC(=O)CN1CCN(c2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)CC1 729043438 NMGSDKYUTOSGDB-UHFFFAOYSA-N 485.560 2.279 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)C[C@H](C)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 729136887 ZRNVVGPJEFRUOF-KRWDZBQOSA-N 478.542 2.279 10 20 JECD Cc1cc(C(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c(C)n1-c1ccc(S(N)(=O)=O)cc1 753471126 DAAJJSNKXQDHFT-UHFFFAOYSA-N 494.529 2.028 10 20 JECD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 918277550 PAHVAPNOQYKOGK-UHFFFAOYSA-N 478.471 2.465 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCNS(=O)(=O)c3ccccc3Cl)cc2)C1 918372089 KXCGUKUBGXNHIN-KRWDZBQOSA-N 479.002 2.027 10 20 JECD CC(=O)N[C@H]1CCCN(C(=O)COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 919064469 SOTHKMUYHAMXNB-VUVCFOEZSA-N 495.648 2.400 10 20 JECD NS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 919971776 XBOLZOHRFRXLPK-UHFFFAOYSA-N 486.363 2.127 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3CCN(c4ccc(F)cc4)C3=O)CC2)cc1 920570641 MBQWIBVVTOHNEI-NRFANRHFSA-N 455.486 2.079 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnc3ccccc13)C2)c1cc(O)nc(O)c1 1777848563 ZIUNTCONAWNEMW-CJFMBICVSA-N 462.506 2.482 10 20 JECD COc1cc(C)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1 1777852782 UWKRBAZHNQOBIU-NTKDMRAZSA-N 455.511 2.251 10 20 JECD CC(=O)O[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)C(C)C 1781121974 GNQWVPDMGNZECY-QMHWCDLVSA-N 482.961 2.466 10 20 JECD COc1ccc(OCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)cc1 1783779731 HNRRIBRTQKCXSD-XQAUZQBESA-N 490.940 2.432 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)cc(Cl)n3)C[C@@H]21)c1cc(O)nc(O)c1 1787293998 YXUWYRLWVDYJQJ-XEGUGMAKSA-N 467.309 2.102 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc2ncoc2c1 1788051023 MUKQPQPOKGTOCQ-QOGCKDPTSA-N 479.489 2.251 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)nn1C(F)F 1789332870 YPQLUQKBYXUUFM-KOSDZWPSSA-N 492.479 2.010 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cnc2ccoc2c1 1796233518 RBOAFRMROSIENQ-HBCWATKFSA-N 457.870 2.409 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H](O)C1 1797721583 JCPRUDJQQYMUJD-FKOZLKKJSA-N 486.613 2.114 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1c(F)ccc(O)c1F 1799729725 ZIHJNRYXNPTWCI-XGISUXEOSA-N 468.840 2.252 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3ncccc13)C2)c1cc(O)c(O)c(Cl)c1 1799768428 YJFIIPLYZUCKJU-HBCWATKFSA-N 468.897 2.211 10 20 JECD Cc1nc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccc1F 1804938672 QGSHXWPSVZMRTI-YCRPNKLZSA-N 451.458 2.364 10 20 JECD CSCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814186083 WXESYRIGZIXJTA-CRAIPNDOSA-N 480.681 2.337 10 20 JECD CCOC(=O)c1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)ccn1 1816727405 SXNOQFLZLQGTNI-CYBMUJFWSA-N 483.506 2.061 10 20 JECD CCOC(=O)c1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)ccn1 1821583314 KAMFWEBHIZKYFF-ZDUSSCGKSA-N 483.506 2.061 10 20 JECD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)n1ccnn1 1821722259 VEFZLFCGNXTAIY-DNVCBOLYSA-N 475.513 2.047 10 20 JECD CN1N=C(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CCC1=O 1824928823 QXTFLPWLYSFSOB-MBNRZODZSA-N 484.553 2.045 10 20 JECD CC(C)(C)n1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)nn1 1827428372 WOCMFDGLZMUSCB-GOSISDBHSA-N 456.547 2.386 10 20 JECD O=C1COc2ccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)cc2N1 1827428616 ZEPWDRUKBNBJSL-LJQANCHMSA-N 480.521 2.371 10 20 JECD Cn1c(=O)n(C)c2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)ccc21 1828210299 NEZOQKITCDVPPN-LJQANCHMSA-N 493.564 2.230 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1nccc3occc13)CC2 1828242936 WXQRICYJXWZSTD-JTQLQIEISA-N 487.588 2.370 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876024 FMOKKLUEXNKSTF-ACMHHVSHSA-N 471.554 2.127 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876977 QAAFQTBKFAVJTC-JBCHAPISSA-N 494.610 2.117 10 20 JECD O=C(c1cnc2[nH]ncc2c1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901406 DFTBOFHRKSKFLY-KRWDZBQOSA-N 486.623 2.052 10 20 JECD O=C(c1cccc2ccnn12)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902052 WYOVGBFLGUCDEA-SFHVURJKSA-N 485.635 2.428 10 20 JECD CC(F)(F)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834986042 WJFSSIDGXMLMFF-UHFFFAOYSA-N 454.518 2.359 10 20 JECD Cn1ccc2cccc(C(=O)NC3CCN(C4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)c21 1835398380 IVQXTNRGJZHEAB-UHFFFAOYSA-N 477.565 2.484 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1)c1ccc(Cl)cc1 1836294551 MXEGBFMMTSEAKH-UHFFFAOYSA-N 495.070 2.386 10 20 JECD COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c(C)c1 1836328515 REUKJBQCZFODEG-UHFFFAOYSA-N 468.554 2.309 10 20 JECD Cn1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)n1 1837490209 QEAYEVCELPKESP-UHFFFAOYSA-N 462.934 2.411 10 20 JECD CCn1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)n1 1842515042 JKLKZHFNNKNNAX-OAQYLSRUSA-N 496.612 2.438 10 20 JECD COc1ccc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1NC(C)=O 1844745857 HOTLKULWZLZORG-UHFFFAOYSA-N 489.532 2.264 10 20 JECD CN(C)c1cccc(OCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc(O)c(O)c2O)c1 1848085966 QLUOSPUWMTVWIL-YSOBTRATSA-N 467.522 2.163 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 728793391 RIKGJXQIRFOOGP-CQSZACIVSA-N 451.570 2.469 10 20 JECD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 728980043 UOQLRZXSBJFPMV-HNNXBMFYSA-N 463.556 2.039 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H](c1ccccc1)N1CCCCC1=O 731224840 MGQHOLIXBYQCSK-QHCPKHFHSA-N 455.580 2.291 10 20 JECD CC(C)(C)NS(=O)(=O)CCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916622421 PVILAOXLULNBEJ-UHFFFAOYSA-N 466.526 2.059 10 20 JECD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 917380624 HXNGWUASGHWHGB-UHFFFAOYSA-N 499.511 2.339 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)C1 917832057 IAGSHKGYOHZKBR-OAQYLSRUSA-N 484.622 2.105 10 20 JECD C[C@@H](OC(=O)Cc1nc2ncccn2n1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 919143932 IPFIQJJIYPIMIA-CYBMUJFWSA-N 455.430 2.013 10 20 JECD COc1ccc([C@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)N2CCOCC2)cc1 919790612 URKSUKGBKVFEIK-DEOSSOPVSA-N 454.571 2.405 10 20 JECD CC(=O)NCc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1 921179293 AXMLBYDTDXRRJP-UHFFFAOYSA-N 483.546 2.417 10 20 JECD CN(C)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1 1777852897 ZNCLOCBQBOZOSN-NTKDMRAZSA-N 454.527 2.000 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@H](O)Cc1ccccc1 1781896556 VBOXKXJICJVJAX-DNRQZRRGSA-N 488.968 2.482 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3[C@@H]1O)CCO2 1782004525 ZDPGYUCMCRZENV-HMHJJOSWSA-N 486.952 2.491 10 20 JECD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)ccc1[N+](=O)[O-] 1785182767 LLXHVXKAKRDHKI-JOCHJYFZSA-N 491.884 2.425 10 20 JECD Cc1c(F)cccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1792679868 ZTUYIJMGXQDPAP-GPVSGQMNSA-N 464.497 2.130 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1n[nH]c2cc(Cl)ccc12 1799852014 BPFIQPFVNIMVNV-BTTYYORXSA-N 492.026 2.257 10 20 JECD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1802247089 CIFMPCYJZVAIPR-JLFBVJACSA-N 470.522 2.210 10 20 JECD CCn1nccc1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1805920351 WNARHWFLLDEZSH-AEVOMHCASA-N 477.521 2.448 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807997654 CFYYCGIUDNHPKM-AKCHCHLHSA-N 485.541 2.121 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cc2n(n1)CCC2 1809984804 GLIJYAHZVWQPCP-MWMWCICHSA-N 489.532 2.374 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811802723 AILKFZUJYSBSLT-PXAZEXFGSA-N 486.872 2.411 10 20 JECD O=C(CN1CCCCC1=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1812975052 GJJJOFPLYSHLMI-ZHRRBRCNSA-N 486.956 2.478 10 20 JECD Cc1ncncc1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814163806 MPPLESOUVQUKPY-DPLQINJDSA-N 475.505 2.330 10 20 JECD Cc1noc(N)c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1814906395 INPCIJBECDFUMW-LBPRGKRZSA-N 479.522 2.040 10 20 JECD CCc1[nH]nc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1Cl 1815813541 LGNUYMLHAPZMDN-QMMMGPOBSA-N 499.043 2.168 10 20 JECD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728402 OFRTWPZYIZOJAA-OLZOCXBDSA-N 491.570 2.478 10 20 JECD Cc1ncncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1820705952 QHSNHBKAPNSDAF-LPZVBRGNSA-N 467.507 2.298 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)C2CCC(CO)CC2)[nH]n1 1823496579 LFPQIXZWKLUYGO-ZBCRRDGASA-N 479.628 2.061 10 20 JECD Cn1nccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1825974298 CBYNUBBSCGTHRK-JHTBKMLMSA-N 454.527 2.484 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3n[nH]cc3c1)CC2 1828242526 KLONJTWUHIXFEW-GFCCVEGCSA-N 486.604 2.106 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)o1 1839432276 JHLYZOYYWGXXSL-OAQYLSRUSA-N 450.875 2.036 10 20 JECD CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)CCCCC1 1840123783 CHGNRXUZOVWFPN-SANMLTNESA-N 482.581 2.206 10 20 JECD O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250850 VQSUCRBZPXKSBC-UHFFFAOYSA-N 495.261 2.433 10 20 JECD CN1CCCc2cc(CNC(=O)N3CCN(CCNC(=O)c4ccccc4F)CC3)ccc21 731283733 GASDKVFAWKIESN-UHFFFAOYSA-N 453.562 2.465 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3nnn(-c4ccc5ncccc5c4)c3C)nc12 731400304 IEQAALTUVMHGLH-UHFFFAOYSA-N 473.449 2.406 10 20 JECD NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)cc1 916588460 MSDVJCMXTJYBBV-UHFFFAOYSA-N 485.610 2.495 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 917758357 RGHGNIDYFMFXPF-UHFFFAOYSA-N 487.625 2.342 10 20 JECD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1C 919072238 MBJMQABHRVESBU-OALUTQOASA-N 472.563 2.164 10 20 JECD COc1ccc(CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cn1 919783328 SMXHJGCKIMKOFY-UHFFFAOYSA-N 451.506 2.345 10 20 JECD CC(C)CN1C(=O)/C(=C\Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C(=O)NC1=S 920980051 UQNQWYSDBUGLDY-UVTDQMKNSA-N 471.004 2.320 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)Cn4cncn4)C3)C2)cc1 1779226596 KFDYBIKXYHPQGL-AFMDSPMNSA-N 476.581 2.465 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc([N+](=O)[O-])[nH]1 1780234341 IXJRBACSXOLHFG-IIBYNOLFSA-N 478.889 2.429 10 20 JECD O=Cc1ccccc1-c1cncc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)c1 1782766266 QZROJZGEHYLGBP-SANMLTNESA-N 488.500 2.125 10 20 JECD Cc1ncc(/C=C/C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)s1 1792221404 WNLIWLUNHMHWSC-WGLVPLJVSA-N 485.562 2.275 10 20 JECD CN(C)c1ncc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)o1 1792313902 IDJQKRBWCQRQPB-UHFFFAOYSA-N 473.580 2.349 10 20 JECD O=C(CCN1CCCC1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1792369118 RZNHFEIVJWFLHB-UHFFFAOYSA-N 460.625 2.467 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC1)C2 1796307229 ACAQBKPWUQERNG-NPDDRXJXSA-N 486.613 2.094 10 20 JECD CN1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796750309 VJSCDFSNQWLEDU-KCSJKLDESA-N 499.656 2.437 10 20 JECD CS(=O)(=O)c1cncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)c1 1800715783 OKLNVUNGVMONHX-QDMKHBRRSA-N 479.942 2.115 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccnn2c1)C1=NN(c2ccccc2)C(=O)C1 1801037232 CZACQUSZTPIQAR-ZHPFXUNLSA-N 456.506 2.379 10 20 JECD CC(C)(C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1803070489 IDNOSZHQUQSTPX-CDNPAEQRSA-N 477.565 2.287 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1ccc2c(c1)OCO2 1804285985 MYGWCDKFRMJVTA-KFSMGIKGSA-N 452.463 2.497 10 20 JECD COc1cccc(CCC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n1 1804431821 KPAQUVHHGZIBBK-MZNJEOGPSA-N 477.521 2.244 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cc(C(F)F)no1 1807727421 QRJKPUBGRNEHGU-SJCJKPOMSA-N 495.533 2.187 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(-c3cccnc3)[nH]n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994620 JVXJOTFCTOKYNG-SBUREZEXSA-N 485.504 2.306 10 20 JECD Cn1cccc1C(=O)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808470167 TYEOPZDEVGNJDY-NTKDMRAZSA-N 498.543 2.102 10 20 JECD CCN(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814167148 YQTUMZYDGYCBPX-KTVLDTPSSA-N 468.554 2.258 10 20 JECD COc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c([N+](=O)[O-])c1 1816727195 GDWUTRKDADULOX-CYBMUJFWSA-N 499.505 2.335 10 20 JECD C[C@H](Cn1cncn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1819545052 IQEMLJAGRQXVKK-HTFDGFGYSA-N 481.513 2.160 10 20 JECD Cc1nc(F)ccc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1820959213 ZJPGFIKLGZPJQL-SNVBAGLBSA-N 479.584 2.072 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCCO2)CC1 1823823557 BTTZNKGSZMWZIA-IRXDYDNUSA-N 453.630 2.036 10 20 JECD Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)o1 1828240644 YTEQZQAPKHPXBH-JTQLQIEISA-N 450.567 2.131 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CNc3ccccc31)CC2 1828242888 UQUKNZCDTWNCNS-WCQYABFASA-N 487.632 2.125 10 20 JECD O=C(/C=C/c1ccsc1)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1833139234 OUPVUBRMXZOARA-ZHBSTKLQSA-N 494.573 2.011 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CCOc3ccc(F)cc3)CC2)CC1)c1cc(O)nc(O)c1 1834985868 ZXCXBHYMDQJLPT-UHFFFAOYSA-N 486.544 2.286 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1ccc(F)nc1 1835884079 QKGGGNXPEAFFAW-UHFFFAOYSA-N 492.555 2.199 10 20 JECD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)ccc1F 1840881322 PBYCTIBKOQQYNF-OGPASDKVSA-N 486.496 2.034 10 20 JECD Cc1nc(CC(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(C)s1 1842105009 AKMLSAAQYNHDER-UHFFFAOYSA-N 451.552 2.299 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CC(F)(F)C1 1843866163 UFVZGSOPBAAKJE-HNNXBMFYSA-N 496.511 2.202 10 20 JECD CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1845397902 DAQGEZCHUNMNHR-LJQANCHMSA-N 472.611 2.239 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)C2(c3ccc(Cl)cc3)CC2)C1 1845917865 IUEZJWKBAWQIEK-UHFFFAOYSA-N 464.012 2.435 10 20 JECD COc1ccc(N2CCCN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)CC2)cc1 108427565 QQFYGRZNCSYADK-UHFFFAOYSA-N 465.597 2.130 10 20 JECD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 728209799 PMZDIYWOGRBLAW-UZLBHIALSA-N 475.615 2.141 10 20 JECD CCN(CC)c1ccc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 800711013 YIYWAOQEAHAPPO-UHFFFAOYSA-N 477.631 2.103 10 20 JECD Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)n2)cc1[N+](=O)[O-] 809724297 ZLNUMVWLDPCBBL-UHFFFAOYSA-N 454.511 2.475 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2)cc1 916197169 WOZWOWNGHFUYEF-UHFFFAOYSA-N 465.598 2.375 10 20 JECD COC(=O)CNC(=O)Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 916680810 AGQVWLVOHXZZBY-HXUWFJFHSA-N 455.511 2.437 10 20 JECD COc1ccccc1N1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 918117937 UBGZBOJGBLJRHP-FQEVSTJZSA-N 451.571 2.429 10 20 JECD NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2)CC1 918295717 DQQDACXJWPXCED-QHCPKHFHSA-N 494.592 2.236 10 20 JECD O=C(COC(=O)Cn1ncc2ccccc2c1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 919262666 STAFLYNMBULXBF-UHFFFAOYSA-N 467.437 2.354 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1F 919663284 CZYDZBFLMVHUCT-UHFFFAOYSA-N 454.502 2.386 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(=O)n(Cc2ccccc2)n1 919697950 PEEVXILXSBXYQJ-UHFFFAOYSA-N 499.550 2.477 10 20 JECD COc1ccc([C@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)N2CCOCC2)cc1OC 919790618 UVECZJKEAVXULE-QHCPKHFHSA-N 484.597 2.413 10 20 JECD Cc1cc(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(Br)c1 920290963 QFKBMBVDLUAYKM-MRXNPFEDSA-N 482.400 2.232 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1n[nH]c(C2CC2)c1Br 920854880 SWKHUUPFQBMEBW-UHFFFAOYSA-N 453.362 2.214 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1cccc2ncccc12 1778455372 GCNZLQIZYRJSFU-NTKDMRAZSA-N 498.630 2.223 10 20 JECD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)ccc1Br 1780869153 IHWVMVKMTLZLAO-NRFANRHFSA-N 476.327 2.321 10 20 JECD Cc1cc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)ccn1 1785118924 DCRZMIYGQZGMMQ-SSPYTLHUSA-N 489.576 2.095 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)C1(c3ccc(O)cc3)CC1)CCO2 1785503924 UNOZESICIAFDGI-AMGVHNACSA-N 480.517 2.084 10 20 JECD CC1(C)CCC(CC(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)CC1 1785545285 MZINTKURIMFIEW-JOCHJYFZSA-N 467.657 2.283 10 20 JECD CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C[C@@H]21 1786394333 FCSDMOCDPZWFBK-WJMWBRGCSA-N 474.602 2.094 10 20 JECD N[C@@H](Cc1cscn1)C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1788533754 LYQIUTYHYIJGIB-KRWDZBQOSA-N 453.524 2.267 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)[nH]3)C[C@@H]21 1792218206 LTYUSQMLINKDPT-OQEHJRJISA-N 495.454 2.457 10 20 JECD O=C(C[C@@H]1CNc2ccccc2O1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1797678995 XUCGUSIIQJFLRE-JEZSTIGHSA-N 487.940 2.218 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc[nH]1)C2 1798418272 KRKQCKDYUHBZMH-XMTFNYHQSA-N 499.568 2.209 10 20 JECD COc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)ccc(F)c1F 1800587570 QRKXKQWVZXRLRH-ZSBIGDGJSA-N 469.535 2.086 10 20 JECD COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1C 1804331430 XCTRYVXOOXHNPZ-BJWYYQGGSA-N 461.609 2.045 10 20 JECD Cc1nn(C)c(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)c1F 1805150223 MWWBNCLOCMZEJR-QSUDOZCYSA-N 495.511 2.412 10 20 JECD Cn1cnc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1C(F)(F)F 1808667539 AXQSKFRZXKKQOK-SCLBCKFNSA-N 490.442 2.274 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cccc2c1OCC2 1809003867 NRIMHHSIOBWCBF-LAUBAEHRSA-N 496.614 2.196 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cc2cnccc2[nH]1 1809993520 OOLROLPVTJDLCT-BTYIYWSLSA-N 494.602 2.138 10 20 JECD O=C(/C=C/C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1)NCc1ccccc1 1810548854 JCUUWPJWPUKDRB-BQYQJAHWSA-N 478.549 2.210 10 20 JECD O=C(NC[C@H]1CCN(C(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810854 XCORJSDGFGRERJ-SPLOXXLWSA-N 499.911 2.040 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1onc2ccccc12 1812167069 JDQSLKLKWHQUPH-FOIQADDNSA-N 495.586 2.403 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H](CNC(=O)C(F)(F)c2ccco2)[C@@H]1c1cccnc1 1812377418 MTLFGZSJPXMVMN-KDOFPFPSSA-N 494.545 2.333 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)n1ccnn1 1812398440 PSRUJAHXMMJYHB-FRIZHTMISA-N 470.917 2.319 10 20 JECD COc1nccnc1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162399 JOZGIIOQXFZCHN-IRUILINGSA-N 491.504 2.030 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2onc3ccccc23)[C@@H]1c1cccnc1 1814189967 MLMCBHJCAVRNPG-FOIQADDNSA-N 495.586 2.403 10 20 JECD CCc1ncsc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814190293 WDCSHUWOGASHJC-KSSFIOAISA-N 489.648 2.280 10 20 JECD COc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c(O)c1 1816727085 CWEMBTDDVQMKNP-NSHDSACASA-N 456.480 2.203 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCCC2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818145675 CHOBFRRTPKHCIB-FQEVSTJZSA-N 463.542 2.291 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CC2(O)CCC2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818148092 ZGHFOKGBCXUCNQ-IBGZPJMESA-N 464.526 2.500 10 20 JECD COCCn1nccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1818251890 IDEDJFNEQXPIBY-JKNJVXJCSA-N 496.524 2.389 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H]2C[C@H](O)CN2)CC3)cc1 1823440117 NAMPNJXOAJRBOL-LMNJBCLMSA-N 479.606 2.499 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)cco2)[nH]n1 1823475343 PAXSHHJKKIWRNI-YERXGYGTSA-N 466.450 2.499 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@@H]2CCOC2)[nH]n1 1823501455 QUDGLLUNTJUQMF-HIFRSBDPSA-N 465.601 2.079 10 20 JECD COc1cnc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c(F)c1 1825587434 MGXXSCLSVNANMV-KRWDZBQOSA-N 494.614 2.323 10 20 JECD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c(C)o1 1828239680 BKRVNKILOZZNBA-LLVKDONJSA-N 464.594 2.439 10 20 JECD O=C(CCn1cncn1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878490 QKNYMCMMKUUDBO-WSSFADSRSA-N 469.542 2.118 10 20 JECD O=C(CCc1cn[nH]c1)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837158084 JAADVOWWBBBXCM-UHFFFAOYSA-N 492.580 2.134 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)c3cccnn3)CC2)CC1 1838452701 CKTQYDNFQHFONS-UHFFFAOYSA-N 460.918 2.467 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348304 MBDLRTUIMNQXNY-JIPXPUAJSA-N 496.608 2.031 10 20 JECD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(C)n1C 1839433657 NZNOSQNAXFHHGF-QHCPKHFHSA-N 477.945 2.090 10 20 JECD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1cccs1 1840881898 UWUYFBUEHOWXIE-OZXWZZFLSA-N 488.562 2.138 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)c2cnco2)C1 1841729625 JDZXXUODANCWEE-MRXNPFEDSA-N 486.525 2.039 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1cnoc1)C2 1843331385 RQWGADGYXIRXQR-LJQANCHMSA-N 469.542 2.210 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)CC1 1847037269 IBDBEXOREHYGOR-SOFGYWHQSA-N 473.526 2.077 10 20 JECD COCCN(C(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 23237487 BZPVTCZTRCPKPP-PMACEKPBSA-N 493.651 2.483 10 20 JECD CCCCCS(=O)(=O)CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 727993597 XABFJCUSVJHZTB-UHFFFAOYSA-N 463.579 2.164 10 20 JECD CN(CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)C1=NS(=O)(=O)c2ccccc21 743918836 CDNDQQAXUSGBKN-HXUWFJFHSA-N 470.595 2.341 10 20 JECD C[C@@H](NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)NC(C)(C)C 749010771 RXSUWAZEHVELIS-MRXNPFEDSA-N 457.554 2.045 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)c2C)cc1F 914655016 OQCSCLARMTWWGZ-PKOBYXMFSA-N 490.553 2.303 10 20 JECD CON(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 916674054 LRMHLQPMMXUJCW-UHFFFAOYSA-N 452.508 2.166 10 20 JECD Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 917380670 KKRJDFCUYBPXCD-UHFFFAOYSA-N 457.474 2.428 10 20 JECD COc1cccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)c1 918220332 BKAZGVRNABHTQM-UHFFFAOYSA-N 470.545 2.463 10 20 JECD C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1)n1cncn1 918266489 NNKHPEKFNLGUON-QGZVFWFLSA-N 461.526 2.333 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3S(C)(=O)=O)cc2F)C[C@H](C)O1 918286703 KGFNSXBHXJOKBY-GJZGRUSLSA-N 463.531 2.098 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3C(=O)N(C)C)cc2F)C[C@H](C)O1 918287132 OFSWFYSFJUNDTM-HOTGVXAUSA-N 456.518 2.396 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(N2CCOC2=O)cc1 918442451 IJNHEGHRPIGWKZ-UHFFFAOYSA-N 452.511 2.107 10 20 JECD O=S(=O)(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCc2ccccc2C1 919729105 CWKJUCATLRHQGB-UHFFFAOYSA-N 482.585 2.335 10 20 JECD C[C@H]1C[C@H](C)CN(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919729650 JWJIPPGMIBUDTN-ROUUACIJSA-N 462.595 2.255 10 20 JECD O=C(Cc1nnc(O)c2ccccc12)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919761582 KJFMEBFUVGRMPX-UHFFFAOYSA-N 473.512 2.450 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(=O)Nc1cccnc1N1CCOCC1 919795662 OTVFKFMRPWAWTI-UHFFFAOYSA-N 493.486 2.029 10 20 JECD C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 919813130 WTKRSNYEOIXAAE-OAHLLOKOSA-N 471.539 2.333 10 20 JECD COC(=O)CNC(=O)Cc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 920871223 FYQINESVQDHPRC-QGZVFWFLSA-N 454.527 2.238 10 20 JECD O=C1Nc2ccccc2/C1=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1778909031 TYSCNVVDDNKQBD-NSXGMPHASA-N 483.908 2.230 10 20 JECD Cn1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(C(F)F)n1 1782005373 BQBJYOJYLNSDSU-HXUWFJFHSA-N 470.860 2.180 10 20 JECD COc1ccc2[nH]cc(/C=C/C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)c2c1 1789950798 RQOXLYVKYPTTGI-NVZXKRJNSA-N 492.532 2.289 10 20 JECD O=C(CCc1c[nH]c2ccc(F)cc12)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1791136392 FZKMWWQKRLSGDQ-ZRCAFCQKSA-N 482.512 2.339 10 20 JECD CSc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)cc1 1791452434 TXVFIYQVSKPBHF-SNRMKQJTSA-N 457.552 2.051 10 20 JECD COc1ccc([C@@H]2C[C@@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1 1793523414 RVSIYQUYMFYVOL-MGGVOPSTSA-N 473.620 2.297 10 20 JECD Cc1ccc(S/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)cc1 1796138723 PKJBCXBMLGXCGO-PHFADZCDSA-N 455.536 2.310 10 20 JECD CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796602569 QBLUZISTFOVMAJ-NCRMQOBRSA-N 486.569 2.392 10 20 JECD O=C(/C=C1\C(=O)Nc2ccccc21)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796934717 QCFVIDVJOWXTNQ-BUZJXTRYSA-N 483.528 2.453 10 20 JECD COC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1806377027 HDJYCFCKDVLBFZ-JLTOFOAXSA-N 461.902 2.419 10 20 JECD Cc1noc(N)c1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1807106187 QAGNTZDGDJVPFH-HTAPYJJXSA-N 487.520 2.073 10 20 JECD Cc1ccn(CC(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n1 1808465272 SKAWKEKVUANUJM-CPJSRVTESA-N 485.548 2.085 10 20 JECD CC[S@](=O)CCC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808468419 QERBUYKQLKGVMZ-VMUUJRIJSA-N 495.605 2.039 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCN(C(=O)CNC(N)=O)[C@@H]2c2cccnc2)cc1 1811273253 OLVVZYMBRWMZNH-ZJSXRUAMSA-N 474.565 2.477 10 20 JECD COC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811799819 ZFGINDQOBGVTFO-XOBRGWDASA-N 461.902 2.419 10 20 JECD CCN(C)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1812316269 ORZIFNAXUQHXGU-HVGZQZFMSA-N 468.554 2.258 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)C1=COCC1 1813590025 VPRVVLQCHBRVDK-FDDCHVKYSA-N 459.506 2.185 10 20 JECD CC(C)N(C)CC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813597645 YOJNVWFEOIRDGQ-CJFMBICVSA-N 476.581 2.221 10 20 JECD Cc1noc(N)c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1814906390 INPCIJBECDFUMW-GFCCVEGCSA-N 479.522 2.040 10 20 JECD Cn1cnc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)c1 1823476662 LIZRCWJDWBLIRN-BVBGJJFLSA-N 452.471 2.279 10 20 JECD O=C(CNC(=O)c1ccco1)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708673 MJEQNVQQMYUEQG-NSHDSACASA-N 490.925 2.457 10 20 JECD Cn1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)cccc1=O 1825737177 BNKDVDHEYIZEAM-QFIPXVFZSA-N 489.576 2.412 10 20 JECD Cn1c(=O)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)nc2ccccc21 1827427235 IMVKADILDSUDGX-LJQANCHMSA-N 491.548 2.287 10 20 JECD Cc1nn(C)c(C)c1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832234601 NHBONZYJSYTMDH-IBGZPJMESA-N 491.683 2.059 10 20 JECD O=C(CCN1CCOC1=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876389 KVYWVOKBIHIXHP-XZXOBPBMSA-N 487.553 2.279 10 20 JECD Cc1nc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)s1 1834076628 LARIFTZPWKIFSP-NRFANRHFSA-N 481.958 2.208 10 20 JECD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)n[nH]1 1837590201 BZKPHCOQRMURTO-HHHXNRCGSA-N 491.592 2.438 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)c1)CCO2 1838912181 LFAVPFCAEFHICO-JOCHJYFZSA-N 464.877 2.274 10 20 JECD Cc1noc(C)c1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432210 HDPYMGSZZXEZQU-QHCPKHFHSA-N 493.944 2.059 10 20 JECD C[C@H](C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)N1CSCSC1 1844317429 GQDFVWMRHNICFJ-MRXNPFEDSA-N 473.624 2.026 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c(O)c(Cl)c1 1847423712 JQWTXZLDOGLNSP-CQDKDKBSSA-N 453.923 2.480 10 20 JECD C[C@@H](C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1C(=O)NC2(CCCC2)C1=O 726654541 MFLVALOQVCCPEG-AWEZNQCLSA-N 489.484 2.197 10 20 JECD CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726718198 BCNTWNWSUFKIFB-QGZVFWFLSA-N 460.547 2.370 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1 727068002 OQYHKTMJCPCDIM-UHFFFAOYSA-N 461.364 2.397 10 20 JECD Cc1cc(C(=O)COC(=O)CN(C)C(=O)OC(C)(C)C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 727893286 YQYHYRVHLNYISZ-UHFFFAOYSA-N 479.555 2.334 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1 744377075 GFDKTZCCCANNSP-SFHVURJKSA-N 453.948 2.220 10 20 JECD C[C@@H](NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(N2CCOCC2)cc1 748463018 WGLAWXLDIFGNMI-HXUWFJFHSA-N 466.586 2.017 10 20 JECD Cc1cc(C(=O)COC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c(C)n1-c1cccc(F)c1 762392357 KGTHYJMFKAXRDB-UHFFFAOYSA-N 457.483 2.457 10 20 JECD O=C(COC(=O)Cn1cnc2sccc2c1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 819072924 IVAGNCIZTAPNRA-UHFFFAOYSA-N 473.466 2.415 10 20 JECD COc1ccc(N2CCN([C@@H](C)C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)cc1 856902767 KSCKZIPOLBLPKT-NRFANRHFSA-N 452.599 2.354 10 20 JECD COc1cc(OC)cc(C(=O)N2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)c1 914576085 YOHUNSXAGVLSGK-UHFFFAOYSA-N 454.571 2.186 10 20 JECD CN(Cc1ccccc1O)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 917310181 MGSZOAQILLSAMP-UHFFFAOYSA-N 479.986 2.317 10 20 JECD O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)NCc1ccc(N2CCC(CO)CC2)cc1 918204358 ZWSNJPARYMNCNH-UHFFFAOYSA-N 481.018 2.326 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 918633864 PQUBOJAVXYYIOE-CTNGQTDRSA-N 461.534 2.261 10 20 JECD CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)cc1 919805676 GMGFHPTZKUFYKV-INIZCTEOSA-N 495.623 2.424 10 20 JECD C[C@@H](OC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)C(=O)N1CCOCC1 1343802725 YBAVKKSQIVCUKV-JXCQQFQQSA-N 499.408 2.441 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4cc[nH]c4cc3Cl)C2)C1 1777998364 VOGGZJUUFPGHIF-QFIPXVFZSA-N 456.886 2.385 10 20 JECD Cc1cc(F)cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1781574047 NECHVAXHFQTUDV-ISTCRNMPSA-N 456.470 2.408 10 20 JECD O=C(COc1ccc(O)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1783842767 STNQSZFTSNNXCS-ROOHIHILSA-N 476.913 2.129 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cn1 1792217872 UAIKHWULQZLNFY-YIYMGJEGSA-N 481.549 2.133 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C)COC1 1792694079 YRFUDOSQLRIULX-PLACYPQZSA-N 486.613 2.379 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc(Cl)cc2nn[nH]c12 1798619266 CZRYFLJQDCYFLH-YQYWCBKUSA-N 492.319 2.193 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2cccc(Br)c2n1)c1cc(O)nc(O)c1 1801034921 UFMYHJUYDHJDOR-BTTYYORXSA-N 486.326 2.469 10 20 JECD CC(C)(C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1803081308 JHVJHASJOAZVSZ-FNDOBQDHSA-N 469.538 2.325 10 20 JECD Cc1ncc(Br)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804331264 SMBMIVZNVFKJBR-BTTYYORXSA-N 497.440 2.265 10 20 JECD Cn1nc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)cc1O 1804899206 NJSDIGHTFFUOFE-DJJJIMSYSA-N 471.901 2.219 10 20 JECD CCc1cc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n[nH]1 1807767485 PBCDQIMHCMRFIF-KOSHJBKYSA-N 485.548 2.480 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2nnsc2C2CC2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993411 KHTXMQQBXXOICI-IFXJQAMLSA-N 466.523 2.250 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccnnc2O)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811805586 BIVPGZCPXJFIJE-SCLBCKFNSA-N 469.885 2.275 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1cncc(O)c1 1812908428 HVRLTSIICMUTJD-HOYKHHGWSA-N 484.516 2.295 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2[nH]cc3c2CCC3)[C@H]1c1cccnc1 1814190152 ROLTUTFQWGASNG-IERDGZPVSA-N 483.619 2.078 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccn3ccnc3c1)CC2)c1cc(O)nc(O)c1 1816725416 KCOMLWOUUMGLQL-CYBMUJFWSA-N 450.480 2.137 10 20 JECD O=C(COc1ccc(O)nn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1824561566 YCMWWQITQAQAJQ-JTQLQIEISA-N 491.913 2.008 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccc(C(F)(F)F)[nH]1 1835854532 DPAFMKVQFSRGDA-UHFFFAOYSA-N 481.475 2.339 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)cc1 1839348251 JAXJAVWEBNDCDU-RUZDIDTESA-N 480.521 2.172 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNc4ccccc43)C2)C1 1839434152 QZCXXWJMZOHUIV-OSPHWJPCSA-N 487.940 2.031 10 20 JECD O=C(CC(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1)Nc1ccc(F)cc1 1843442359 FGSMOWXBDFMCPQ-UHFFFAOYSA-N 477.496 2.151 10 20 JECD COc1ccc(N2CCC(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 110357468 JWAMDZPOGVFMOV-UHFFFAOYSA-N 459.568 2.115 10 20 JECD CC1CCN(c2ccc(CNC(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)cc2)CC1 731120956 MNDGOXUVKNRJEZ-UHFFFAOYSA-N 465.602 2.251 10 20 JECD CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 916456162 QIYOMIUDGFQDFU-INIZCTEOSA-N 487.538 2.338 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2F)C[C@H](C)O1 918936804 UJZULHWXJCVLCI-HOTGVXAUSA-N 493.557 2.284 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)cc1 920250067 ATQVYZDVLMFKHX-YPKPFQOOSA-N 475.549 2.337 10 20 JECD CCc1ccc(C(=O)N2CCN(C(=O)/C=C\C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2)cc1 920254824 PAIDSTMCZFOWCW-SEYXRHQNSA-N 490.604 2.447 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)c1 920469263 LRYNXKFCRXQMAO-UHFFFAOYSA-N 466.991 2.359 10 20 JECD CCOC(=O)c1sc(NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1C 920634944 SFDJXMJNEIBYQP-UHFFFAOYSA-N 456.498 2.106 10 20 JECD COCCN1C(=O)/C(=C\Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)C(=O)NC1=S 920975474 GEZDFCKVVMKRNQ-ATVHPVEESA-N 494.982 2.326 10 20 JECD COCCN1C(=O)/C(=C\Nc2cc(C)nn2-c2ccccc2C(F)(F)F)C(=O)NC1=S 920979621 FDOWOUBZSHUBIQ-BENRWUELSA-N 453.446 2.385 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3cnccc3c1)C2)c1cc(O)nc(O)c1 1777848107 JSTQXIKDKKLMCT-CJFMBICVSA-N 462.506 2.482 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126212 LLQZRSONKWYOBS-YIXXDRMTSA-N 490.560 2.372 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccccc1O)C2)C1=NN(c2ccccc2)C(=O)C1 1778127628 UHXVQNDRMCOQAN-YIXXDRMTSA-N 490.560 2.242 10 20 JECD COCCn1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)n1 1778244815 MSHWHCBDMJRUFX-AUSIDOKSSA-N 492.960 2.035 10 20 JECD CC(C)(C)c1cnc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)cn1 1778415608 QGTGWUZXTAWQNZ-HOYKHHGWSA-N 469.542 2.022 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)C1=NO[C@@H](c2ccccc2)C1 1778789824 XLQPBHGDXKXUNE-UMEGOILYSA-N 480.521 2.138 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(Br)cnc3Cl)C2)C1 1779382188 UHTVXXKISKTGQN-IBGZPJMESA-N 497.733 2.061 10 20 JECD Cc1cc(F)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)c1 1780891344 OUQJVEBSHXZYFK-VGOFRKELSA-N 479.599 2.122 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccncc1Cl)CCO2 1785506673 DJBJFIWJUNMIBJ-WYAMSBGYSA-N 459.886 2.009 10 20 JECD Cc1csc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1794087036 DZUOJMLEEORJGV-PGWTTWODSA-N 472.563 2.409 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C3(C(F)(F)F)N=N3)cc1)C2)c1cc(O)nc(O)c1 1796140645 RSVAINTUMKAKOY-ZSBFGKGUSA-N 491.426 2.191 10 20 JECD CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2)C1CC1 1796802012 IZTLMOHEEGAMFE-RCJHGTSTSA-N 460.531 2.048 10 20 JECD C[C@H](Nc1nccs1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1796865705 OBBHLFSGOCWXFV-RSCUQUGOSA-N 458.540 2.412 10 20 JECD Cc1nnc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)s1 1796932469 BMLSHSWKUYOIJI-VBUUOAMHSA-N 466.567 2.210 10 20 JECD O=C1Cc2cccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C3=NN(c5ccccc5)C(=O)C3)C4)c2N1 1801066179 GVCUYTHGBDGRBP-GGPHIMKMSA-N 471.517 2.226 10 20 JECD COc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)n1 1806950029 JFLIPULXDJULFI-UHFFFAOYSA-N 454.527 2.374 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)c(F)c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001735 WWBMBPCKMCSNIN-QVKFZJNVSA-N 452.442 2.366 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cnoc1 1808528834 DCEWHGGBXSDCOX-CVTZPFNJSA-N 450.451 2.219 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cn2cc(F)ccc2n1 1809847178 JYIGIBHAHMQYDE-QRQCRPRQSA-N 476.468 2.308 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc(Cl)cn1 1810748686 KZJAOTRUKUZQEM-AUUYWEPGSA-N 490.010 2.310 10 20 JECD Cc1ccc(C(=O)C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1812966640 PSIUBTZECJNURR-GHTZIAJQSA-N 496.614 2.139 10 20 JECD C[C@H](Cc1ccccn1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1813284795 OBCXOXXBVAEBEY-UQNRQAKVSA-N 461.522 2.481 10 20 JECD O=C(CCc1cnccn1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813444208 RZXOEXAKNZTZHX-FQRUVTKNSA-N 497.559 2.303 10 20 JECD O=C(Cc1cnc2ccccn12)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720550 XVNYCEKEJPIOQM-CYBMUJFWSA-N 464.507 2.066 10 20 JECD Cc1noc(N)c1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362320 KPSKVLYYQLPDEL-GFCCVEGCSA-N 479.522 2.040 10 20 JECD COc1cscc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1817796477 PPPXDNXXZYJLQT-VIFPVBQESA-N 482.634 2.299 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)C3CCN(c4ccccn4)CC3)sc2C1)c1cc(O)nc(O)c1 1822506627 JYICPXNBDMAVIA-MRXNPFEDSA-N 494.577 2.487 10 20 JECD CN(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)nc1 1823496165 HPDIABWXJMBZIS-MRXNPFEDSA-N 487.611 2.037 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2F)[nH]n1 1823498832 WLAKDIBKWRMMKU-AWEZNQCLSA-N 462.532 2.110 10 20 JECD Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)nc2nccn12 1827429692 PAANBSSHVMOGFV-IBGZPJMESA-N 464.526 2.391 10 20 JECD Cn1cc(F)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1827946577 OSHLPSRJGQHBBV-MRXNPFEDSA-N 466.604 2.258 10 20 JECD Cc1nc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)s1 1834076629 LARIFTZPWKIFSP-OAQYLSRUSA-N 481.958 2.208 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc4c(c3)CCCO4)CC2)CC1)c1cc(O)nc(O)c1 1834988092 CZYRSGCDBWQNMA-UHFFFAOYSA-N 480.565 2.317 10 20 JECD CC(C)O[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1835795535 XOSXMEVIWMQLQI-QQOXCAACSA-N 475.586 2.202 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc4ncsc4[nH]3)CC2)CC1 1838029925 RJDNJZYKBXKISS-UHFFFAOYSA-N 471.539 2.357 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3ccoc3Cl)CC2)CC1 1838565502 PPWNDTCDROSWPL-UHFFFAOYSA-N 486.015 2.406 10 20 JECD Cc1ccc(O)c(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)c1 1838576800 ANXVMKGHZCDMKS-UHFFFAOYSA-N 491.635 2.173 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cnc3ccc(C(F)(F)F)cn23)C1 1844070813 NPBINVUCTVLFHY-UHFFFAOYSA-N 497.524 2.030 10 20 JECD CCOC(=O)N(CC(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)Cc1ccco1 1846531392 HLEVBBWTFXVNBQ-VQHVLOKHSA-N 499.520 2.272 10 20 JECD CCOC(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)CC1 1846977279 HCMKBKSGGJPBJC-UHFFFAOYSA-N 465.934 2.437 10 20 JECD CS(=O)(=O)c1ccc(/C=C2\SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 726628628 ZRQKFJBXBIFVDB-YBEGLDIGSA-N 468.603 2.139 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(-n4cnnn4)cc3)n2)s1 727247460 XJPKUGXPAVSSNM-UHFFFAOYSA-N 461.554 2.284 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCCc3nnc4n3CCCCC4)cc2)C1 727600510 JXYPFVWOUAJUFR-LJQANCHMSA-N 453.591 2.138 10 20 JECD Cc1nn(C)c(N2CCOCC2)c1CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 727644784 MXAYGQVFDIOFCC-UHFFFAOYSA-N 480.592 2.111 10 20 JECD COc1ccccc1CN1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 728128497 AODCUKICACLCLS-QFIPXVFZSA-N 465.598 2.424 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCn3cc(S(N)(=O)=O)cn3)c2C)cc1F 749327853 OMDISGPDBUJGBM-UHFFFAOYSA-N 462.503 2.202 10 20 JECD Cc1ccc2ncc(C(=O)OCC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c(=O)n2c1 919059020 CHYPANPLMAVYDY-CALCHBBNSA-N 482.512 2.229 10 20 JECD COc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1N1CCCC1=O 920926463 PIAPKHSXGHDMCA-QGZVFWFLSA-N 466.538 2.475 10 20 JECD C[C@H](OC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)C(=O)N1CCOCC1 1343802724 YBAVKKSQIVCUKV-GQVHDAKQSA-N 499.408 2.441 10 20 JECD CCc1[nH]nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1Cl 1782002803 WTHNYDWCXXJPMV-FQEVSTJZSA-N 469.325 2.447 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)cnc3Cl)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539646 MYOQHSKBUDRJPS-DCPHZVHLSA-N 499.930 2.260 10 20 JECD O=C(Cc1c(F)cccc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1789631982 FHSNIQMFEXHCLG-NVVBAYIOSA-N 496.514 2.280 10 20 JECD Cc1cc(F)c(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1799807973 JNCWZQRQUYKFGV-RSQQPWMTSA-N 482.487 2.269 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC12CCCN1CCC2 1800001823 SOWAFCVNIWORGG-QGZGNFAASA-N 455.555 2.473 10 20 JECD O=C(Cc1n[nH]c2cc(Cl)ccc12)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804335698 FGNGHYJNLSCDBT-BTTYYORXSA-N 492.026 2.257 10 20 JECD CO[C@H](C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccc1 1806795434 YLSBDVIZPZCQNQ-QIJUGHKUSA-N 498.630 2.335 10 20 JECD Cn1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(C(F)F)n1 1808844405 WWWLLVHCTPCYOR-YJYMSZOUSA-N 472.452 2.192 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cc2cccnc2[nH]1 1809904533 VUDPJMBKRXNOHN-OXQOHEQNSA-N 494.602 2.138 10 20 JECD Cc1ccc(S(=O)(=O)CC(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)cc1 1810543649 LSQHECSYDRBAFF-UHFFFAOYSA-N 487.578 2.120 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1812056800 WICKPQWNVSTJAU-KOSHJBKYSA-N 499.531 2.410 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@H]2CCCOC2)[C@@H]1c1cccnc1 1814166845 ULMILUFVSMUSGU-DRHZFIHJSA-N 467.522 2.344 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cc(C3CC3)on2)[C@@H]1c1cccnc1 1814186265 ZFHUUFOKZALFDA-FOIQADDNSA-N 485.591 2.127 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cc(C3CC3)on2)[C@H]1c1cccnc1 1814186267 ZFHUUFOKZALFDA-QRWLVFNGSA-N 485.591 2.127 10 20 JECD O=C(CCN1CCOCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1814643410 DNDFWAGOEUEDCC-CYBMUJFWSA-N 480.974 2.156 10 20 JECD Cc1oncc1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364607 VVUOFRRZRLNAAE-CYBMUJFWSA-N 464.507 2.458 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823497427 DKJBQFSVLCNJJW-CJNGLKHVSA-N 487.611 2.158 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2nccc3nc[nH]c23)CC1 1827507186 KARAQIDTDAKDHU-INIZCTEOSA-N 486.623 2.052 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4cccc(Cl)c34)C2)C1 1836418353 PLMIZAJAKWVPDJ-HSZRJFAPSA-N 486.912 2.011 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837869933 VOSMECXJGNCOPG-MRXNPFEDSA-N 469.542 2.001 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 1843925801 YJBSWZZUJWTDNU-NRFANRHFSA-N 485.968 2.469 10 20 JECD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726725594 BYRSICMCSYJEJN-UHFFFAOYSA-N 496.536 2.262 10 20 JECD O=C(COC(=O)CNC(=O)c1c(F)cccc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 731078148 DYPHJDYNFMBDDE-UHFFFAOYSA-N 481.883 2.044 10 20 JECD CC[C@@H](OC)C(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 744643686 ZAQAOGDINHSANB-JOCHJYFZSA-N 478.567 2.266 10 20 JECD Cc1ccc(C(=O)OCC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)c(O)c1O 750619681 SNFPLXJTBJLXGL-UHFFFAOYSA-N 496.520 2.145 10 20 JECD CCO[C@@H](C)c1nc(CN2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)cs1 857457577 XJFSRIHTSAGHDB-AWEZNQCLSA-N 468.601 2.276 10 20 JECD CCCCN(C(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)[C@@H]1CCS(=O)(=O)C1 913223727 DHLVIZVQKJVOFY-OAHLLOKOSA-N 498.557 2.017 10 20 JECD O=C(COC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC(=O)NC1CC1 913360435 KJOPJJUKUXHYIY-UKTHLTGXSA-N 453.567 2.261 10 20 JECD O=C(NCCCN1CCN(c2ncccn2)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 916267649 RRCNYDYXDUWQDK-OAQYLSRUSA-N 454.575 2.085 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CSc3nnc(O)n3C[C@H]3CCCO3)cc2F)C[C@@H](C)O1 917184060 AVPGWWOFXLBEFU-BFYDXBDKSA-N 479.578 2.324 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(C(=O)N4CCOCC4)cc3)cc2F)C[C@@H](C)O1 917918467 PLLPBTPDILTACB-HDICACEKSA-N 491.585 2.390 10 20 JECD COc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)cc1 918116857 BGQMFAUEFNRMSR-OAQYLSRUSA-N 479.581 2.065 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc2)C1 918118397 QYXUYHBINUNTJV-FPOVZHCZSA-N 471.627 2.323 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 918439149 TZJHQSYXZTWZMN-UHFFFAOYSA-N 488.635 2.279 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(C(=O)Cc3ccccc3F)CC2)c1 921187561 JUTKPIMEQNSSQQ-UHFFFAOYSA-N 469.557 2.453 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3c(=O)oc4ccccc43)cc2F)C[C@@H](C)O1 1317951963 KAHNCUPHPSUEKQ-HZPDHXFCSA-N 471.485 2.207 10 20 JECD CCc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)n[nH]1 1781122698 CDECKMOUXKQGIE-XMSQKQJNSA-N 462.934 2.478 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2nc4ncccn4n2)CCO3)cc1 1781752971 DRXHUIJDFBKAEB-AREMUKBSSA-N 485.548 2.289 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3onc4ccccc34)C2)C1 1782349109 CNGLPWMOHKQGPM-YFTVHVBSSA-N 465.462 2.102 10 20 JECD COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)cc1F 1782677642 DQAULPWCOYIEBD-NTKDMRAZSA-N 473.501 2.011 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCCC1(F)F)C2 1783245319 RWKLTODXHZOMOS-STXHMFSFSA-N 489.610 2.186 10 20 JECD Cc1c[nH]c(C)c1CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785503240 FLBTYBUKQZHHLI-CIFMFNLYSA-N 469.538 2.224 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)C(F)(F)c1ccco1)CCO2 1785510402 YOVZZKCPQZKEQD-LWQICCLCSA-N 464.421 2.032 10 20 JECD O=C(CNC(=O)c1cccnc1)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1786777028 UBHUTIKIJCTCBU-UHFFFAOYSA-N 461.478 2.066 10 20 JECD C[C@@H]1CCc2c(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)n[nH]c21 1807996472 SZKHHBICFPJUMM-OXDBHQQFSA-N 462.510 2.294 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnn3cccc(F)c23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001310 UMXSJJJKVGDBIX-QVKFZJNVSA-N 476.468 2.308 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1nc2ccccc2[nH]1 1809046072 SPXSWCVGTDJSBD-YWZLYKJASA-N 494.602 2.138 10 20 JECD O=C(O)CSCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1813087953 YQSOVVAUCQFHOM-YJYMSZOUSA-N 479.942 2.284 10 20 JECD CSCC[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813095394 GWMFXYSVMGZFAV-JSFTZJQYSA-N 487.578 2.032 10 20 JECD O=C(Cc1ccc(O)cn1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813498681 OIMIRUMLGVOQIJ-STNXAFIHSA-N 490.516 2.261 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)CCc2ccco2)[C@H]1c1cccnc1 1814184806 GQKQFADTWYNOSJ-IERDGZPVSA-N 472.592 2.174 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728680 LIIMSSHWCZQMQV-NSHDSACASA-N 485.478 2.411 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCO2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146657 WGZWROREHCLZTG-RBUKOAKNSA-N 450.499 2.374 10 20 JECD CC[S@@](=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1819510793 QEGWPNYNRIYTOA-RPLXOIEJSA-N 487.607 2.007 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc(-n2cccn2)nc1 1820735402 SHDFCESBUNEJIB-CQSZACIVSA-N 477.506 2.070 10 20 JECD Cn1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)cccc1=O 1823476778 NFPVWZMVOGDZMV-PXUDHTSWSA-N 479.493 2.245 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1)n1ccnn1 1823712593 PWOZSUARDPWULJ-MWLCHTKSSA-N 462.919 2.286 10 20 JECD CN(C)C(=O)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1823882388 SDQXZLLKBDXQIK-KRWDZBQOSA-N 466.966 2.256 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4csnn4)C3)C2)cc1 1839348904 SOJCFIAJXRYTQR-DEOSSOPVSA-N 481.578 2.329 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccn4)C3)C2)cc1 1839349025 ZZQHAJZRLYQOIV-SANMLTNESA-N 475.549 2.268 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CCO2 1840122069 MQHFHYFXUSBJHB-SYQAFCNFSA-N 494.544 2.077 10 20 JECD Cc1c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nnn1-c1cccc2cnccc12 731182582 FYMGHXDQWMCMNI-UHFFFAOYSA-N 476.562 2.289 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 916625040 CAESUSAUWZWBLA-UHFFFAOYSA-N 460.625 2.456 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CS(=O)(=O)Cc3ccc(Cl)s3)cc2)C1 917832601 CWQRIRBACRMGPL-HNNXBMFYSA-N 470.016 2.334 10 20 JECD C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(S(=O)(=O)N(C)C)cc1 918105422 QJHHTQYPHNISBG-MRXNPFEDSA-N 464.563 2.473 10 20 JECD CCOc1ccc(N/C=C2/C(=O)NC(=S)N(CC(C)C)C2=O)cc1S(=O)(=O)N(CC)CC 920980653 UPPRXMUZLIFERP-VBKFSLOCSA-N 482.628 2.311 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(F)(F)F)C2)C1 1780573355 RZZXUBGLVQGQNM-IBGZPJMESA-N 487.525 2.009 10 20 JECD Cc1ncc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)s1 1782508112 DXISNCVMANZKLQ-PXDATVDWSA-N 495.605 2.301 10 20 JECD CCOc1ccccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785506609 ADLKEFZYDGWWBQ-GVODCENMSA-N 468.506 2.359 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)cc1Cl 1787294259 GKPXBNHRUUITJK-YEWWUXTCSA-N 461.902 2.062 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(F)CCCCC3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539462 HVUGTQCZMUAINA-CUWPLCDZSA-N 470.545 2.431 10 20 JECD O=C(CCCn1cccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1791666218 XUBBOLLAKDYECW-IOKJFNJESA-N 469.538 2.078 10 20 JECD CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(O)nc(O)c3)C4)c2C1 1794859048 DBDNOPOJEQJWDP-QDMKHBRRSA-N 498.540 2.032 10 20 JECD O=C(Cc1ccc(F)c(C(F)(F)F)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1800431396 GTJUZKNAURYHQW-VTEUUUEMSA-N 483.418 2.097 10 20 JECD CNc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1807089304 IECSFKXBHAEWCJ-DYESRHJHSA-N 483.619 2.303 10 20 JECD COc1cc(C(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)n(C)n1 1807523378 XWOZLXFJFAUVTF-UHFFFAOYSA-N 478.553 2.066 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3nonc3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995763 ILKBTBKDDVSJBZ-VFNWGFHPSA-N 460.450 2.057 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)N(C)C(=O)OC(C)(C)C 1808001894 ZHUCMQCJKDNBTP-KUDFPVQQSA-N 499.568 2.463 10 20 JECD CC(C)CNC(=O)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1808447614 UDYSOICIBKUKAU-HNAYVOBHSA-N 474.945 2.238 10 20 JECD Cc1cnoc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1811242506 WHFAESSHGFFNHC-GCJKJVERSA-N 472.505 2.491 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(-n2ccnc2)ccn1 1811583073 SZZBMRLIRDYEKW-HXOBKFHXSA-N 485.504 2.102 10 20 JECD Cc1nn[nH]c1C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811804418 WEWCJQRUKCHIFE-ACJLOTCBSA-N 456.890 2.206 10 20 JECD Cc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)cc1 1813991300 AUTZCVSDAIRQPL-CQSZACIVSA-N 474.633 2.467 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C23CC(F)(C2)C3)n[nH]1 1815291821 WEJQXWONVCSTFY-RMEHTXHKSA-N 451.549 2.154 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C1CCC3(CC1)OCCO3)CC2)c1cc(O)nc(O)c1 1816729275 RSWAZBVUKBVKJU-AWEZNQCLSA-N 474.539 2.108 10 20 JECD Cc1c(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)cnn1C 1817362304 KKHMVPGGQRSEEO-AWEZNQCLSA-N 477.550 2.204 10 20 JECD CCn1nc(C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1817842449 FPEOFXLQDLNIEZ-CQSZACIVSA-N 475.600 2.101 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848727 ZNCMQRAMJXGYBC-OAHLLOKOSA-N 474.518 2.437 10 20 JECD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)n1cncn1 1822772128 VLBUGXZKHLNRLI-BHDDWZGFSA-N 467.486 2.085 10 20 JECD O=C(COc1cccnn1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823713145 DVQFSQKFGPYCBE-LLVKDONJSA-N 475.914 2.303 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1825814946 INVUYIPNAXGKDL-ZYHUDNBSSA-N 477.543 2.088 10 20 JECD CN1CCC[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)C1 1828197812 LQMGDYRJSGJINM-WSQYCBKMSA-N 472.567 2.227 10 20 JECD O=C(/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)NC1CC1 1828790327 DEZAFGWEOWWVMR-DGVDTQEHSA-N 491.592 2.234 10 20 JECD Cn1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)cn1 1832276294 QKDFKKLPPPSCCI-CPSHHHPTSA-N 468.554 2.413 10 20 JECD CCc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1833517634 FSHFHSYXGPWPMP-HSZRJFAPSA-N 475.929 2.092 10 20 JECD O=C(CCc1cn[nH]c1)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833814088 WUBXJNHRYDEHAI-UHFFFAOYSA-N 475.977 2.292 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CSC3CCCC3)CC2)CC1)c1cc(O)nc(O)c1 1834985898 OMPIBBAYTNGPBH-UHFFFAOYSA-N 462.616 2.354 10 20 JECD CSc1cccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1O 1834988854 MHPWXDLAIXOQSA-UHFFFAOYSA-N 486.594 2.419 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)C1 1843700990 NDCVDGPFKLKJEA-UHFFFAOYSA-N 462.984 2.499 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)C[C@H]2CNc3ccccc3O2)C1 1844221995 IKXZVQAZLJIICZ-LKUPDRCFSA-N 465.506 2.283 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 1845403246 WNABFAMNBVNSHV-UHFFFAOYSA-N 465.441 2.344 10 20 JECD CN(CC(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1)C(=O)c1ccccc1 1845500477 GKIURWZDOSIURS-UHFFFAOYSA-N 457.914 2.340 10 20 JECD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 726284672 ZBDOHLSSDAJICU-UHFFFAOYSA-N 459.446 2.310 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)c1 726984258 OAIPTJMFTSFECI-GOSISDBHSA-N 453.948 2.220 10 20 JECD CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)s1 727248544 GUIVRAOKTALGJK-UHFFFAOYSA-N 462.542 2.310 10 20 JECD CC(=O)N1CCN(c2ccc(CNC(=O)CCS(=O)(=O)Cc3cccc(C)c3)cc2)CC1 857494132 JMHSDBJXJPROBY-UHFFFAOYSA-N 457.596 2.285 10 20 JECD COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)CC2)cc1 916625863 SCEPGSODVVHGMP-UHFFFAOYSA-N 490.651 2.465 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)cc2F)C[C@H](C)O1 917712476 OXWYFLSZPCYXMN-GJZGRUSLSA-N 472.473 2.389 10 20 JECD COCCOc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cn1 918288900 XGSWXIBVTCUZPL-IYBDPMFKSA-N 460.506 2.114 10 20 JECD Cc1nccc(-c2cccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2)n1 918464631 XWIGXJPZRLGOAF-HXUWFJFHSA-N 472.549 2.409 10 20 JECD CCOc1ccc(NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1OCC 920636983 RSRFLAWUSDKMSV-UHFFFAOYSA-N 452.485 2.357 10 20 JECD C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)c1ccc(N2CCOCC2)cc1 920869852 BPSSLZQYAGAQOC-HXUWFJFHSA-N 493.674 2.421 10 20 JECD CCCCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(N3CCCC3)cc2)c1=O 1317902328 QBMVHXFFKVALHQ-UHFFFAOYSA-N 453.608 2.015 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3cc4sccc4[nH]3)C2)C1 1778699515 ALWGPNXBONERKJ-XMMPIXPASA-N 477.546 2.466 10 20 JECD Cc1nccnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781122193 VHJSVPMFSNSHQM-VGOFRKELSA-N 460.918 2.291 10 20 JECD O=C(C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccc(Cl)cc1 1785503567 KMPXTKPBGQLZDE-LHLOKTHNSA-N 486.908 2.183 10 20 JECD COc1cc(C)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1 1787540097 CVSQSEDKODPLCL-OEOAZWSVSA-N 490.560 2.390 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1n[nH]c2c(F)cccc12 1788399263 QFLXWQYJDVVSIK-XYTPNCCPSA-N 496.495 2.126 10 20 JECD CC(=O)NCCC(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788673734 GCBUXULPRBYQFG-UHFFFAOYSA-N 461.522 2.440 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cccc(Br)c1F 1790032601 QMNKLLYBNYMJGS-PJODQICGSA-N 494.317 2.302 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1792987937 BZYJOIBTIUYWPL-FRQROOTJSA-N 497.976 2.115 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccsc3[nH]1)C2 1802079415 HXNLXQHSWYATSV-PZPAOMODSA-N 469.519 2.263 10 20 JECD Cc1ccc(COCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1C 1802080059 GXHHBWBGNKXGPW-TUGWXJGJSA-N 496.560 2.240 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cnc1C 1804809206 XNWPMGDFOUWQCZ-LAUBAEHRSA-N 483.619 2.273 10 20 JECD CC(=O)c1cc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n[nH]1 1805256796 VGJAZZAGQSSWNE-HOYKHHGWSA-N 499.531 2.120 10 20 JECD COc1nccnc1C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)C1 1807587575 NDGAASGECMZYRJ-GQCTYLIASA-N 468.510 2.160 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2CCC(O)CC2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470883 ZSTQGASKTOSZGJ-HMCXLGJFSA-N 489.576 2.431 10 20 JECD Cc1nc[nH]c1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1808687760 RKKNOIXUFJOKHC-IRUILINGSA-N 463.494 2.263 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1c[nH]c2cnccc12 1810066106 DRQSJBCFDMQZLW-VFNWGFHPSA-N 494.602 2.138 10 20 JECD CCOC(=O)/C=C/C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814163047 WVNCBCLVFAJXQE-LCJPUOCZSA-N 481.505 2.037 10 20 JECD C[C@]1(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)CCCN1 1814166635 RQQONKYCPJDYQI-HPVKENARSA-N 466.538 2.060 10 20 JECD CCc1oncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816607754 HURKHCKWCFKVTB-ZDUSSCGKSA-N 462.557 2.126 10 20 JECD O=C(/C=C/C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)NCc1ccccc1 1816720212 GBFPMDJITIAYBM-ROJDOSBLSA-N 493.545 2.048 10 20 JECD CCc1[nH]nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1Cl 1816722041 BSEOBUWKYRWPEP-VIFPVBQESA-N 462.919 2.428 10 20 JECD O=C(/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1)NC1CC1 1818146873 JWAOYLRBXJTERN-DUQGCJEPSA-N 489.536 2.030 10 20 JECD CCOC(=O)c1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)ccn1 1821583313 KAMFWEBHIZKYFF-CYBMUJFWSA-N 483.506 2.061 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccncn2)[nH]n1 1823475537 VZOOHKJYOVPNPU-YERXGYGTSA-N 450.455 2.336 10 20 JECD CC(C)N[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)C(C)C 1823497930 IUKWUHMINBJESE-DNVCBOLYSA-N 480.660 2.285 10 20 JECD CN(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1826708320 BCMPMHGDWPVVFO-JOCHJYFZSA-N 453.587 2.351 10 20 JECD CC(C)n1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)n1 1828199213 QEICGSOBZAKMHC-FLUIGGAXSA-N 484.538 2.372 10 20 JECD C/C=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCN2C(=O)OCc1ccccc1 1829037520 OLXXKLXVIRJDTC-KLWTWKFNSA-N 480.521 2.135 10 20 JECD O=C(CCc1cccs1)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1833874911 USFYWKWVFBWLRK-UHFFFAOYSA-N 494.708 2.113 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)c3ccncc3O)CC2)CC1 1838110348 AOIXHCCUOBVWFC-UHFFFAOYSA-N 491.548 2.192 10 20 JECD Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431718 IKDCQGNUGJPOME-XMMPIXPASA-N 490.940 2.209 10 20 JECD COc1ccsc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433632 MPJNFCRFJQTKPF-NRFANRHFSA-N 482.942 2.205 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)ccc3F)C2)C1 1839433693 PYYVHNLKVHXLRD-QFIPXVFZSA-N 482.867 2.413 10 20 JECD Cc1ccc2[nH]cc(CC(=O)N3CCCC34CN(C(=O)CN3C(=O)CSC3=S)C4)c2c1 1841975550 ULIHPXRQOYUXJP-UHFFFAOYSA-N 456.593 2.083 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)[C@H](O)c2ccccc2Cl)C1 1846508977 ANATVDPLZIRGFT-OAQYLSRUSA-N 466.925 2.370 10 20 JECD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 24192745 SFZHNQIQQPSLNA-UHFFFAOYSA-N 459.568 2.053 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(-n4cccn4)c(Cl)c3)cc2)C1 727614616 DGHOBXQFCLIAEQ-KRWDZBQOSA-N 480.956 2.482 10 20 JECD O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCC[C@H](C2OCCO2)C1 728074297 YEMBVMBUHVGCQB-AWEZNQCLSA-N 477.495 2.326 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3cccc(-n4nnnc4SC)c3)CC2)cc1 743294755 YCFQIFMHQZMZKK-UHFFFAOYSA-N 468.587 2.337 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCc1ccccc1OCCN1CCOCC1 744291635 DFZPOJRJFHNROT-UHFFFAOYSA-N 472.561 2.373 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 748851968 BSXOBTFCYIMPPN-GOSISDBHSA-N 467.522 2.079 10 20 JECD COCCN1C(=O)/C(=C\NNc2ncnc3scc(-c4ccc(OC)cc4)c23)C(=O)NC1=S 814318677 HEFAPDWXSJSWCP-ZROIWOOFSA-N 484.563 2.057 10 20 JECD O=C(COC(=O)c1cncs1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 825309593 RLGAWFGACSABJA-NSIKDUERSA-N 477.545 2.046 10 20 JECD Cc1cc(C)nc(-n2nc(C)c(CC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2C)n1 917835014 WZQNSLRXCAGVSX-NRFANRHFSA-N 475.597 2.457 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)C1 918463016 GOCOIXHBAGJTBT-HXUWFJFHSA-N 491.592 2.269 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CCCN3c3ncccn3)cc2F)C[C@@H](C)O1 919061709 AFTWZTMOTAQBKN-CBGDNZLLSA-N 471.533 2.058 10 20 JECD C[C@@H]1CN(c2ccccc2NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@@H](C)O1 919662023 DYCWVQNFIWKLQO-SBHAEUEKSA-N 493.608 2.257 10 20 JECD Cc1cc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)c2)no1 919840824 YJGWPWAEJSUOIY-UHFFFAOYSA-N 490.563 2.271 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3cc[nH]c13)C2)c1cc(O)nc(O)c1 1777848015 HGPPLVWXKWQHFV-HOYKHHGWSA-N 450.495 2.415 10 20 JECD CN(C)c1ccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1 1777850992 QDZANHAYNNKMKY-QFQXNSOFSA-N 482.581 2.319 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4cc[nH]c4cc3Cl)C2)C1 1777998359 VOGGZJUUFPGHIF-JOCHJYFZSA-N 456.886 2.385 10 20 JECD C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003551 UGICLRXOXZUXDZ-IQMFZBJNSA-N 474.945 2.200 10 20 JECD COc1ccc(COCC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1784100539 XAJRHFUXOQDTCV-DEOSSOPVSA-N 490.940 2.420 10 20 JECD C[C@@H](Cc1ccco1)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1784584727 YTKVZNQJGUMOCE-AVRWGWEMSA-N 464.522 2.081 10 20 JECD CSCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785503938 UUQAPFLFUUGZOS-HVPBSWBLSA-N 450.557 2.036 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)cnc1C 1787537226 GKORLBWRHZKROB-HARLFGEKSA-N 475.549 2.085 10 20 JECD Cc1ccc(-c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)nc(O)c3)C4)c[nH]2)cc1 1794291233 RKXGWPAISMXQQP-BBIADKPPSA-N 462.506 2.313 10 20 JECD COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)cc1O 1796931100 LNIBQJXCBSYTBE-FNLKRUPLSA-N 476.533 2.374 10 20 JECD O=C(Cc1ccc2ncccc2c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804331377 VOGZSFOYWWJNCG-BCDXTJNWSA-N 468.604 2.276 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC2(CCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)CC1 1807709215 LOTQFUPPMLTEQQ-UHFFFAOYSA-N 462.510 2.232 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3nccnc3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995284 FZHFGYYHGFLRQO-UZUQRXQVSA-N 470.489 2.464 10 20 JECD CC(C)(C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808463757 FXUSTPWMPSCHIF-SXSPYAJSSA-N 477.565 2.287 10 20 JECD C[C@H]1Oc2ccc(C(=O)N3CCC4(CCCN(C(=O)c5cc(O)nc(O)c5)C4)CC3)cc2NC1=O 1810546442 HIJVKCKTSHUFBM-OAHLLOKOSA-N 480.521 2.371 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1onc2ccccc12 1812167072 JDQSLKLKWHQUPH-YWZLYKJASA-N 495.586 2.403 10 20 JECD CCc1ncccc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814185813 UXXVBXWWGCWBAK-IERDGZPVSA-N 483.619 2.219 10 20 JECD COc1cncc(CCC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1 1816721915 RQFSZEMHOZJHFE-AWEZNQCLSA-N 469.523 2.212 10 20 JECD CCOC(=O)N1CCC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)CC1 1816728008 FHLAPSSDFXCBRP-CQSZACIVSA-N 489.554 2.044 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728505 RIJVKCQEADWQRT-WCQYABFASA-N 455.496 2.038 10 20 JECD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)n1cccc1C=O 1817844583 FMUUJUJOJSDTKG-CXAGYDPISA-N 452.471 2.397 10 20 JECD Cc1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1818341542 VGTLKDHYCRDRMF-HNNXBMFYSA-N 458.569 2.279 10 20 JECD Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)n(C(F)F)n1 1820294332 AWUCFMIYYOISSA-LBPRGKRZSA-N 497.553 2.476 10 20 JECD O=C(CC12CCCN1CCC2)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1822753230 FZFCIEQIXOSSPM-AWEZNQCLSA-N 457.556 2.194 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ncn2)CC1 1829470230 NDIPREAJGQEGRP-OAHLLOKOSA-N 482.031 2.224 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)c2ccco2)CCO3)cc1 1829828940 YFTZYLXTAYPBIO-RPLLCQBOSA-N 493.560 2.491 10 20 JECD CCOC(=O)/C=C/C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1834406316 OYVFBOOTEYCOTO-ONEGZZNKSA-N 479.961 2.056 10 20 JECD CC[C@H](C)[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)c1ccccc1 1834930803 LHROIZBDMQNFKW-WMDMVVLCSA-N 483.565 2.393 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)CCO2 1836597620 KDKXWOUDMBFULB-GLDPYIMESA-N 487.940 2.020 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3n[nH]c4ccc(F)cc34)CC2)CC1 1838029964 WBFMGRLGBDVEQL-UHFFFAOYSA-N 483.500 2.434 10 20 JECD N[C@H](C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1)c1cccc(Cl)c1 1843442055 QGASTLXXDMGAPM-NRFANRHFSA-N 465.941 2.336 10 20 JECD COc1cccnc1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O 1848175614 PLQXRANNNXOUAR-ZGCXVMDJSA-N 453.495 2.055 10 20 JECD C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccc(N2CCOCC2)cc1 109191054 MVZYUWXMPGWJMJ-CYBMUJFWSA-N 468.373 2.424 10 20 JECD COc1ccc(N2CCC(NC(=O)c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)CC2)cc1 110356190 CYCDQLINXPCUOO-UHFFFAOYSA-N 455.536 2.401 10 20 JECD CC(C)COC(=O)N1CCC(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 726159253 BLUNQTYNYHKZOT-UHFFFAOYSA-N 451.589 2.042 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CC[C@H](CNC(=O)OC(C)(C)C)C3)CC2)cc1 726248227 LCBAURCDYBCYHF-LJQANCHMSA-N 461.607 2.373 10 20 JECD NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1F 726852934 CSLJHBIUZHSELB-UHFFFAOYSA-N 468.407 2.035 10 20 JECD O=C(CN1CCCN(C(=O)c2cccc(F)c2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 917046552 HAVHKRIJMSABIW-UHFFFAOYSA-N 472.536 2.266 10 20 JECD CCN1CCN(c2ccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)CC1 918311977 XQGZHQUTWFUCOR-UHFFFAOYSA-N 465.598 2.262 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)nc12 918983887 LRMDSXQICXGMLZ-HNNXBMFYSA-N 452.467 2.325 10 20 JECD CCCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1Cl 919795068 PFEZRRYEGQENDL-QGZVFWFLSA-N 499.999 2.436 10 20 JECD O=C(NCc1cccc(OCCN2CCOCC2)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 920838746 RTPVZIBUXCMCPB-UHFFFAOYSA-N 486.588 2.497 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cc(F)ccc1F)C2)c1cc(O)nc(O)c1 1777851475 KEYUVAWVNCWKBW-WZONZLPQSA-N 461.465 2.141 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(Cl)nn1)C2)C1=NN(c2ccccc2)C(=O)C1 1778128085 ZPPXIAYCCKIIFJ-NTKDMRAZSA-N 496.955 2.050 10 20 JECD COc1cc(C)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)cc1OC 1781071440 YAPQJMNMDSHJDW-CJFMBICVSA-N 485.537 2.260 10 20 JECD COc1cc(C)cc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1 1781482691 KSPOYYHMFTXCAK-SANMLTNESA-N 476.533 2.240 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCn4ccnn4)C3)C2)cc1 1784532552 KZOBMNYWUXTCDL-RUZDIDTESA-N 462.554 2.219 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790246085 JZXLDRDWFXJDHM-ZAHVWYGNSA-N 450.944 2.220 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3c(Cl)cncc3s1)C2)c1cc(O)nc(O)c1 1796138297 SUDBMEQONKMCQN-SLAYPKMVSA-N 474.926 2.273 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3cnccc13)C2)c1cc(O)c(O)c(Cl)c1 1799769127 AQDYZNVDTQORIO-DBWKPXFBSA-N 456.886 2.145 10 20 JECD COc1cccc(/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c1 1801849273 WMIVCGRFRUIECJ-ORIYUZMUSA-N 459.593 2.207 10 20 JECD O=C(CCCc1ccncc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1804602714 XUJQPQUIWONBDC-WMZHIEFXSA-N 497.646 2.366 10 20 JECD CCn1nccc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1805911628 FQFWDLVSTAKQNY-NTKDMRAZSA-N 485.548 2.411 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cncc3cnccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995633 SMRGJFYQGSTIJR-QMHKHESXSA-N 470.489 2.464 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3O2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996262 PWCVFBDQWSLJRH-NYDSKATKSA-N 460.490 2.211 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc2cccn2cn1 1809446813 OCHLALNSPYRLGI-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1810207212 IMWRKJWDUDZBIO-TVTNDZMWSA-N 497.646 2.448 10 20 JECD CCOC(=O)c1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccn1 1811525641 UKXVTKHOONPXKM-HTAPYJJXSA-N 491.504 2.093 10 20 JECD CCc1noc(C)c1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814188938 GAMHJFSGFNVPQE-QRWLVFNGSA-N 487.607 2.120 10 20 JECD COC(=O)CSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815221243 BFFYFGZWGCFLSN-SFHVURJKSA-N 498.565 2.101 10 20 JECD O=C(COc1cc(Cl)ccn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1820083680 YAKREVUXWFHOMX-LBPRGKRZSA-N 475.914 2.303 10 20 JECD Cc1ncncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1820698219 CJJANNQAAIQKSQ-AWEZNQCLSA-N 475.534 2.260 10 20 JECD Cc1nn(C)c(C)c1CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822790428 FWISWTNQFJFHJC-KRWDZBQOSA-N 453.503 2.115 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)[nH]n1 1823476637 KSUPVWWHWDCOSE-BIENSFFJSA-N 497.468 2.037 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cccc4nccn34)sc2C1)c1cc(O)nc(O)c1 1824124615 YEYCAPYFPYLBSH-LBPRGKRZSA-N 450.480 2.137 10 20 JECD Cc1noc(C)c1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1825013306 RLEGECHCTPCQQJ-SFHVURJKSA-N 478.640 2.314 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)Cc2ncccn2)CC1 1825317401 KPNIWWIDVKBAEG-JOCHJYFZSA-N 474.565 2.432 10 20 JECD O=C1NCc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)ccc21 1827427919 DSEYLKOYHPESLC-HXUWFJFHSA-N 464.522 2.283 10 20 JECD O=C(C1CC(O)C1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715161 OFWNANKDAPXJHV-ZOGYUUGASA-N 452.555 2.170 10 20 JECD CCOC(=O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828199614 BDQRQGXLLQSJKG-PPOCWRSBSA-N 489.550 2.475 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(F)c1)CC2 1828246903 IDAGEXZCHMAKJT-GFCCVEGCSA-N 464.569 2.368 10 20 JECD O=C(c1cc(O)no1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876784 NCMYSVXAOPSPCW-YERXGYGTSA-N 457.483 2.444 10 20 JECD Cc1cc[nH]c1C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1833980073 LWBUHWNDYNJMSJ-UHFFFAOYSA-N 476.581 2.301 10 20 JECD O=C(CCc1ccc(F)nc1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837142084 SNDDKCAWJPFRLP-UHFFFAOYSA-N 472.517 2.272 10 20 JECD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251038 PMWGTPXATPZOKA-KRWDZBQOSA-N 486.569 2.347 10 20 JECD COC(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843330844 PCWUQNMUQFUENC-LJQANCHMSA-N 474.602 2.333 10 20 JECD O=C(COC(=O)c1cccc(-n2cnnn2)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 9745822 FSXQRZDKTWXQDR-UHFFFAOYSA-N 453.414 2.233 10 20 JECD Cc1cc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c(C)n1-c1ccc(Br)cc1 105735834 QPOOABIMTIUYIL-UHFFFAOYSA-N 489.414 2.473 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(Cn4cccnc4=O)c3)CC2)cc1 726726544 UFMBQTIRTGHIDT-UHFFFAOYSA-N 461.522 2.024 10 20 JECD Cc1ccc(C(=O)OCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)n1C 753850734 HPZRXLKBOLIYSP-ZDLGFXPLSA-N 487.559 2.237 10 20 JECD C[C@@H](OC(=O)c1sccc1S(N)(=O)=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 774799550 FYYSEUYKAYPESM-LLVKDONJSA-N 484.511 2.355 10 20 JECD CCc1c(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cnc2ncnn12 914771136 LSZXTVJGVAWNSR-UHFFFAOYSA-N 455.430 2.258 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cc(OC)c(OC(F)F)cc3N)CC2)cc1 915568951 QAKPGFQNWUYNFA-UHFFFAOYSA-N 465.453 2.393 10 20 JECD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2F)C[C@@H](C)O1 917918195 LZMQRBVRPYQEEI-ZIAGYGMSSA-N 461.515 2.144 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cccc(-n4ccnc4)c3)CC2)cc1 918763340 ISFGWBBTIGYQEL-UHFFFAOYSA-N 462.554 2.148 10 20 JECD C[C@H](OC(=O)Cc1nc2ncccn2n1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 919143934 IPFIQJJIYPIMIA-ZDUSSCGKSA-N 455.430 2.013 10 20 JECD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)c1 920881148 AKZGGMLCCKEPNN-NRFANRHFSA-N 486.638 2.161 10 20 JECD CC(C)CN1C(=O)/C(=C/Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)C(=O)NC1=S 920979646 FPHBMCHBDJLXKQ-LZNAANCOSA-N 464.613 2.302 10 20 JECD O=C(COC(=O)c1ccccc1N1CCCC1=O)NCc1ccc(N2CCOCC2)c(F)c1 1115880172 DFLHIWYJYNTGFF-UHFFFAOYSA-N 455.486 2.262 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCc3ccoc3C1)C2)c1cc(O)nc(O)c1 1777846427 HMDLEMPPINXBCG-LSRZYVKLSA-N 455.511 2.018 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cccc(F)c3F)C2)C1 1780813265 QJJJTBRNUKHIIK-NKOINVLESA-N 460.433 2.239 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4c(Cl)cccc34)C2)C1 1782219779 HPKALZAVSVOURU-SXBBHYFQSA-N 498.923 2.490 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)cc(O)n1 1787458855 ZONVUPSHTMFSLJ-QITLCBANSA-N 461.902 2.067 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(=O)NCC(C)C)C[C@@H]32)cc1 1790126946 YAJFWPQDMYPEGY-XWGVYQGASA-N 480.609 2.460 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790246083 JZXLDRDWFXJDHM-DFUQVGCNSA-N 450.944 2.220 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3cc4n(n3)CCC4)CCC2)cc1 1792315119 FEVQSXVEXZABSJ-UHFFFAOYSA-N 469.592 2.437 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1COc2ccccc2O1)C1=NN(c2ccccc2)C(=O)C1 1794094801 DFKHPKOQRCWZAH-YCMMZOLNSA-N 474.517 2.258 10 20 JECD CC[C@H](NC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1796179444 YWLXUMNLFYJLPN-LILSUDLASA-N 487.645 2.341 10 20 JECD Cc1ccn2c(=O)c(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C3=NN(c5ccccc5)C(=O)C3)C4)cnc2c1 1797607111 AFYOHEMRIJSHIV-FNLKRUPLSA-N 498.543 2.048 10 20 JECD CC(=O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1803407124 YVDKVVRIPTXELB-CVDCTZTESA-N 475.549 2.496 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccnc2ccccc12 1804333429 KKPQMBPGAUMYMT-QDMKHBRRSA-N 454.577 2.347 10 20 JECD O=C(CCC(F)(F)F)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1806834035 ILEFVDFGPKTXFD-GUYCJALGSA-N 474.530 2.290 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3O2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996264 PWCVFBDQWSLJRH-XTQVGHSUSA-N 460.490 2.211 10 20 JECD Cc1ccoc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1808504226 IWFUXYDTXKYDNZ-MAUKXSAKSA-N 458.565 2.163 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810549803 BNHKRWIDSBZEFM-HWKANZROSA-N 469.494 2.168 10 20 JECD COC(=O)c1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1813200276 JIMKTPNMMREEKM-DVECYGJZSA-N 490.516 2.237 10 20 JECD CNc1nsnc1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162918 ZCLNYNLQFXIFEJ-RDUOXDFISA-N 496.549 2.125 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)no1 1814185237 AJDOVKHHHYMMIZ-MGPUTAFESA-N 487.607 2.373 10 20 JECD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1 1816727119 FHKMTMUVDSBIIC-LBPRGKRZSA-N 498.521 2.463 10 20 JECD COc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)ccc1[N+](=O)[O-] 1816727326 NWXKUTXMBHBWFN-ZDUSSCGKSA-N 499.505 2.335 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccn3nccc13)CC2)c1cc(O)nc(O)c1 1816729980 XOZUYLWLKQKCKY-LBPRGKRZSA-N 450.480 2.137 10 20 JECD CCOC(=O)O[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1824613346 VWTLDDVAZACJFD-NNUUWNPISA-N 491.522 2.447 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1829162357 IEMKVIHDMYDXBG-LJQANCHMSA-N 493.524 2.344 10 20 JECD N[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1ccccn1 1834724161 BHJAPEUPBCDSII-NRFANRHFSA-N 487.988 2.031 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc(-c4ncc[nH]4)cc3)CC2)CC1)c1cc(O)nc(O)c1 1834988057 ANUUUMNDJFHVIV-UHFFFAOYSA-N 490.564 2.382 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cnoc3C3CC3)CC2)CC1 1837593698 HILIEYHOJREVQL-UHFFFAOYSA-N 456.499 2.284 10 20 JECD CC1(C)CCC(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)CC1 1839230352 QYFUPRXHBGUKAZ-DEOSSOPVSA-N 461.559 2.169 10 20 JECD O=C(c1ccc2nccnc2c1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441483 CGMQDGLDKKNZRJ-UHFFFAOYSA-N 454.490 2.240 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442228 GSAALNTYGCLVDT-UHFFFAOYSA-N 477.477 2.219 10 20 JECD C[C@@H](C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)[S@@](=O)c1ccccc1 1847039523 YMJNUHYNWWPKBR-NLKBSQOQSA-N 470.547 2.216 10 20 JECD CN(CC(=O)NCc1ccccc1CN1CCOCC1)Cc1ccc(N2CCOCC2)cc1 15571945 PTGIOTLFNZGVFV-UHFFFAOYSA-N 452.599 2.104 10 20 JECD Cc1cc(C(=O)COC(=O)Cn2nnc3ccccc3c2=O)c(C)n1-c1ccc2c(c1)OCCO2 16274570 SVWYWELYMVFENB-UHFFFAOYSA-N 474.473 2.396 10 20 JECD O=S1(=O)CCN(c2ccc(CNS(=O)(=O)c3cc(Br)cnc3Cl)cc2)CC1 726977007 VKKCZWHFOBQQDM-UHFFFAOYSA-N 494.820 2.211 10 20 JECD CCCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 727308105 FTTKKIDWBAEQCX-HXUWFJFHSA-N 472.590 2.260 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 728138398 CUWDXDGBLLMWLM-UHFFFAOYSA-N 474.508 2.017 10 20 JECD COCCn1c(N)c(C(=O)CN(Cc2ccc(C)s2)c2ccc3c(c2)OCCO3)c(O)nc1=O 728927484 CGXKPBXROJAWBT-UHFFFAOYSA-N 486.550 2.208 10 20 JECD COc1ccc(N2CCN(CCNC(=O)/C(=C/c3ccc(F)cc3)n3nnnc3C)CC2)cc1 742921582 UGKCOTYTILTCFT-QJOMJCCJSA-N 465.533 2.066 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)C[C@H]3c4ccccc4CCN3C(C)=O)CC2)cc1 792097678 CLFIJMYTRUXBBT-DEOSSOPVSA-N 465.550 2.423 10 20 JECD CCn1c(CCC(=O)N(C)Cc2ccccc2O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 917308050 YIEPXFQCYPXKGS-UHFFFAOYSA-N 486.594 2.374 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)C1 918117182 IFKQUWFAJATJHP-LJQANCHMSA-N 466.542 2.328 10 20 JECD CCn1c(=O)nc(O)c2c(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc(C(C)C)nc21 918671558 DCRWBAPKSBFPRE-KRWDZBQOSA-N 492.580 2.272 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(CS(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1 918820085 LUCDUFJFJPQBGZ-CALCHBBNSA-N 492.569 2.457 10 20 JECD COCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1 919895656 RASPLPJUQYURDS-UHFFFAOYSA-N 472.611 2.396 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)on1 1780373551 QDNRQRYNXIGVNC-XMMPIXPASA-N 465.510 2.034 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)cc3F)C2)C1 1780828405 ULLJFNINQWCTGK-VWLXRYFESA-N 460.433 2.239 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)cc1 1781753171 GAONNJFSACRRSW-DEOSSOPVSA-N 478.509 2.483 10 20 JECD CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753463 BBMGNUAKYBDPRN-RUZDIDTESA-N 483.638 2.022 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 1783410390 OMNGQERXFWRSKW-RPFOBCEVSA-N 478.545 2.452 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OCC4CC4)cc3)C[C@@H]21)c1cc(O)nc(O)c1 1787294645 XRBNOBUYUMWMOQ-YYWHXJBOSA-N 467.522 2.189 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 1794031609 PAWHQQRNELBHSI-HFXSTPQUSA-N 483.565 2.246 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1803150717 JMHBHKBJDUFRQA-QLVMHMETSA-N 499.568 2.368 10 20 JECD C[C@](O)(C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)C(F)(F)F 1803999939 YUMGBGMQDUJNEV-WTFUGHNRSA-N 495.454 2.231 10 20 JECD CN1CCCC[C@@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1822600840 MGRPOAOMDVIQFM-YHOLHYGNSA-N 472.567 2.370 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823475517 UMKWHBAXMGIUKH-XPLVDZNXSA-N 471.514 2.099 10 20 JECD Cc1nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)co1 1825958841 IFPUCFLRFYRNKL-MRXNPFEDSA-N 450.586 2.077 10 20 JECD COc1cc(C)ccc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988372 KMKAJBOLOKBPFP-UHFFFAOYSA-N 468.554 2.309 10 20 JECD O=C(Cc1cc(F)cc(F)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1836123363 PAWNZGGKFDGHAX-HSZRJFAPSA-N 496.894 2.342 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)C3CC(O)C3)CC2)CC1 1836683915 APXQQSFXBKXRIM-UHFFFAOYSA-N 452.935 2.134 10 20 JECD COc1c(Cl)ccnc1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838030376 UCKLHUSCNDMPAL-UHFFFAOYSA-N 490.944 2.476 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)cc1 1839349042 APYOCHLKBSNNTP-AREMUKBSSA-N 465.550 2.143 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251206 HEKURKCPFUXEQZ-DLBZAZTESA-N 474.558 2.393 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)Cn2cnc3ccccc32)C1 1846288586 WRPGHGZZLLONLQ-UHFFFAOYSA-N 456.506 2.033 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1847934957 PHVSMBCIMNTICK-UFYCRDLUSA-N 496.564 2.444 10 20 JECD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(S(=O)(=O)NC4CC4)c3)cc2F)C[C@@H](C)O1 725824559 XQKZZBYGASIHJH-HZPDHXFCSA-N 497.614 2.359 10 20 JECD O=S1(=O)CCN(c2ccc(CNS(=O)(=O)c3ccc(Br)s3)cc2)CC1 726975481 BWHOAEPPDNRJFI-UHFFFAOYSA-N 465.416 2.224 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 729064093 OSTFDPSHTQMDJF-MRXNPFEDSA-N 487.578 2.342 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCN(C(=O)c4ccc(C)c(OC)c4)CC3)CC2)cc1 917063340 OHEUTHUOQXEWKU-UHFFFAOYSA-N 466.582 2.119 10 20 JECD CC(C)C[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 917832978 JQIVLZDINVLHEK-KZKAQZJJSA-N 480.609 2.370 10 20 JECD COc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1[C@@]1(C)NC(=O)NC1=O 917928118 VNNNEGMQOAVKNG-HSZRJFAPSA-N 474.583 2.415 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3S(C)(=O)=O)cc2F)C[C@@H](C)O1 918286704 KGFNSXBHXJOKBY-HUUCEWRRSA-N 463.531 2.098 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)cc1 918309082 FAIQIGGNSVUCLV-UHFFFAOYSA-N 462.572 2.312 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 918554859 TZLIUHQWISMVGG-LJQANCHMSA-N 457.552 2.348 10 20 JECD COCCOc1ncccc1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919701150 LPECDQPZPIPZTF-UHFFFAOYSA-N 466.517 2.293 10 20 JECD CCN(CC(=O)Nc1ccccc1OC)C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 920255259 UFXPUCIWHJIYHS-YPKPFQOOSA-N 480.565 2.396 10 20 JECD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 928992798 XQVHTKPQNCSOFM-LJQANCHMSA-N 479.624 2.477 10 20 JECD C[Si](C)(C)c1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)co1 1779350478 KEXFGQJQMQZURC-UZUQRXQVSA-N 473.602 2.072 10 20 JECD COc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782002461 IPQGPPHHHPNPNR-QHCPKHFHSA-N 476.913 2.282 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC13CCCN1CCC3)C2 1783221640 JLHMPXIEWXFSLD-YRHVXKOMSA-N 499.608 2.349 10 20 JECD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1)c1cccs1 1784379547 WIXHAHRACJNWBZ-XDHUDOTRSA-N 466.563 2.474 10 20 JECD CC(=O)NCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1786459634 VGBSMZOGHVKUSQ-UHFFFAOYSA-N 476.624 2.143 10 20 JECD C[C@@H](CC(N)=O)C(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788671515 UNKPMAOVZUBOIT-INIZCTEOSA-N 461.522 2.425 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1789946502 ZVCCYZHBNBGUCG-OQZHBAMCSA-N 490.560 2.227 10 20 JECD C[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802082597 VYQCLADHSXIMKS-WRUHDHAJSA-N 466.534 2.285 10 20 JECD O=C(CCc1cnc[nH]1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1804428818 ATZBMEHBMQBBIZ-RZIHNSIVSA-N 477.521 2.274 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cnoc1C1CC1 1806143777 GIGOYNWGHFPPAA-KXBFYZLASA-N 485.591 2.127 10 20 JECD Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1806667011 NKCBJWYIIFDSAQ-MBSDFSHPSA-N 498.630 2.335 10 20 JECD Cc1nnc(CCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)s1 1807993523 JUDISKXWAPCEEO-QVKFZJNVSA-N 468.539 2.000 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ncn(-c3ccccc3)n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994546 UJPALGFLVFNHBP-VGSWGCGISA-N 485.504 2.102 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)C1 1807996529 UQDVZAFQODXAGM-IERDGZPVSA-N 497.552 2.074 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1808001862 RHVCXMNXAQISQM-KKSFZXQISA-N 485.541 2.122 10 20 JECD CN1CCN(c2ccc(C(=O)N3CCC4(CCCN(C(=O)c5cc(O)nc(O)c5)C4)CC3)cc2)CC1 1810548889 JRFWGCKPPOMGTK-UHFFFAOYSA-N 493.608 2.403 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811798250 ZZRCUPVRAQWOKX-HNAYVOBHSA-N 474.945 2.381 10 20 JECD O=C(/C=C/c1cnc[nH]1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813302306 YUEKEDLSSBRBBH-PCTUSVLJSA-N 475.505 2.354 10 20 JECD COc1cscc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814189475 QIHAZSBWNFHLNZ-LIRRHRJNSA-N 490.632 2.332 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)C2CCSCC2)[C@H]1c1cccnc1 1814192204 UPKUYHCNFRBRGC-LPHOPBHVSA-N 478.665 2.091 10 20 JECD COc1cnc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)cn1 1816612341 RZUCZKYYYORHAS-IQIBNGDESA-N 480.481 2.344 10 20 JECD Cn1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c(C(F)F)n1 1816725043 IPWBOYZKXYKCSK-VIFPVBQESA-N 464.454 2.160 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3cnccc3n1)CC2)c1cc(O)nc(O)c1 1816725836 PXXZSSWRFJYNQU-ZDUSSCGKSA-N 462.491 2.432 10 20 JECD O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728204 AEYFYRJHUFUOBK-GFCCVEGCSA-N 487.469 2.465 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728771 VAYOVTPEXAWSCH-DGCLKSJQSA-N 455.496 2.038 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3ccnn13)CC2)c1cc(O)nc(O)c1 1816728991 OWWWUXUQUGVKDB-GFCCVEGCSA-N 450.480 2.137 10 20 JECD O=C(CNC(=O)C(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1822443614 OQZFAVRQLKQMKR-LBPRGKRZSA-N 489.838 2.459 10 20 JECD C[C@]1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)CC1(F)F 1823501485 RFXCBGVTNIAEHG-PIGZYNQJSA-N 457.528 2.307 10 20 JECD CC(C)[C@@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715439 UNKOQVVKSLHGED-JTHBVZDNSA-N 454.571 2.416 10 20 JECD Cc1nc2ncccn2c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1828225452 UOJZRRHUIAXQNY-GOSISDBHSA-N 464.526 2.391 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)CC2 1828242367 HJBSHGBOORJZET-CYBMUJFWSA-N 496.586 2.436 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)C1Cc3ccccc3C1)CC2 1828248847 AVYLFGCBKBMOSY-OAHLLOKOSA-N 486.644 2.330 10 20 JECD O=C(/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)NC1CC1 1828793983 LIKXDTHWVPMQLH-MTLGCUBSSA-N 483.565 2.271 10 20 JECD Cn1nccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876961 OWTRGEYKRANDPH-JHTBKMLMSA-N 454.527 2.484 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)CC1)c1cc(O)nc(O)c1 1834987436 UHCAUFPXABFRCN-UHFFFAOYSA-N 487.488 2.039 10 20 JECD COC(=O)CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031652 AHTPSZAHUOYBJB-UHFFFAOYSA-N 477.558 2.229 10 20 JECD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1838928870 RDWNKBACVIYZOD-QHCPKHFHSA-N 476.913 2.144 10 20 JECD O=C(CCc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431971 ZKMFZQXJMNWIJG-DEOSSOPVSA-N 474.941 2.454 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)cc1 1840609097 OLEQQVZLXVTLCU-PSELDJGJSA-N 479.577 2.057 10 20 JECD O=C(CCN1Cc2ccccc2C1=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037837 UXCWGDVWOSKIOF-VQHVLOKHSA-N 477.517 2.066 10 20 JECD Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)ccc21 215905133 ZTNDHUYLIVBALZ-UHFFFAOYSA-N 484.500 2.211 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc4nc(C)oc4c3)CC2)cc1 915744725 UOXUGWCWIHEHOG-UHFFFAOYSA-N 451.527 2.412 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CCNS(=O)(=O)c3cccs3)cc2F)C[C@H](C)O1 918141341 UUZMVGCZMQGOIQ-GJZGRUSLSA-N 455.577 2.486 10 20 JECD CS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 918278418 TZSKKUXRXUCMHI-UHFFFAOYSA-N 485.484 2.200 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cc(S(C)(=O)=O)ccc3Cl)nc12 918815487 RNKQYKLYRIWHRN-UHFFFAOYSA-N 453.860 2.026 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccccc3SCC(N)=O)cc2F)C[C@@H](C)O1 918915469 CFVNSNSBSKWFSF-HZPDHXFCSA-N 489.569 2.490 10 20 JECD CC(=O)Nc1nc(C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cs1 919090161 KHMVHVGCNDQZAJ-CHWSQXEVSA-N 464.519 2.327 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)CC2)cc1 919223908 LCIZPEFLGRIGIL-UHFFFAOYSA-N 458.427 2.326 10 20 JECD CCN(CC(=O)Nc1cccc(OC)c1)C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 920255146 RMQYZCBFYOWNTO-SEYXRHQNSA-N 480.565 2.396 10 20 JECD CCNC(=O)COc1ccc(NC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 920255174 RVAYPTDYYKRKQO-OUKQBFOZSA-N 466.538 2.054 10 20 JECD C[C@H]1C[C@@]1(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127714 VDYLQLMSANDBHZ-XMECYREJSA-N 452.555 2.339 10 20 JECD COc1cccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)n1 1782004290 URVUJXZUJRNJGR-QHCPKHFHSA-N 475.929 2.231 10 20 JECD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccccc1 1785544126 CRGSSGSOZWKMPK-JNHKJOQOSA-N 452.507 2.450 10 20 JECD CCOc1ccc(Cl)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787294466 RHYRFBSQVCNBGA-IXDGSTSKSA-N 475.929 2.452 10 20 JECD CSc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)cc1 1787295144 OLVOZADIIWZQNB-SNRMKQJTSA-N 457.552 2.051 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cc1OC 1789543432 FDAKCCJIFCKDAX-OPJMQWPPSA-N 498.532 2.127 10 20 JECD Cc1c(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)cn2[nH]cnc(=O)c12 1790012927 ZABMEQLOJXFILU-UHFFFAOYSA-N 474.477 2.199 10 20 JECD Cc1cc(C)nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1 1792219255 NJLVWXAMULZBKZ-GMHLOAMTSA-N 467.522 2.122 10 20 JECD CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)N(CC)CC 1793462002 RLDBXSVEWJVQRB-HIRMHNASSA-N 453.967 2.075 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)ccc1F)C2)C1=NN(c2ccccc2)C(=O)C1 1796479094 DFLQWONVPIGIKJ-YEZVWNJWSA-N 484.915 2.475 10 20 JECD Cc1ccc2[nH]c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2c1 1796479808 VUZMUTFVSBQHHQ-HBNMSFMJSA-N 485.544 2.472 10 20 JECD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796604113 IBJHHCJJIZAXBB-QDMKHBRRSA-N 455.471 2.033 10 20 JECD Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c2cccnc21 1799769156 BQFOMYBPJBNQHE-HBCWATKFSA-N 470.913 2.155 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1noc(-c2ccccc2)n1)c1cc(O)nc(O)c1 1799806183 LMZDSHCIEGFMCL-BCDXTJNWSA-N 463.494 2.427 10 20 JECD Cc1nscc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1805194122 WVGRWWWGMQMBRQ-KDOFPFPSSA-N 475.621 2.026 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccon1 1806000947 WDUKGEQAZHXZAT-XGBCVQCSSA-N 450.451 2.219 10 20 JECD CCc1[nH]nc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1Cl 1807704803 INALFFCFYLTFEQ-ZUOKHONESA-N 470.917 2.460 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)C(=O)c2ccco2)[C@@H]1c1cccnc1 1814161153 CJAFSOCZYPJMGJ-QSUDOZCYSA-N 477.473 2.394 10 20 JECD Cc1ccc(C(=O)C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1814190090 QEBYFPCUCCRQMI-WIYYLYMNSA-N 496.614 2.139 10 20 JECD O=C(CCN1CCCC1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1814265451 ORLKOJFVDKVBCX-LVXARBLLSA-N 488.592 2.366 10 20 JECD Cc1nnc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)s1 1815584627 AFMVXUXJZNTKAZ-QDBLGGKGSA-N 487.563 2.288 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@@H]1CNc2ccccc21 1817345581 KYRDKSUGPJTVHB-RHSMWYFYSA-N 484.607 2.471 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccc4nc[nH]c4c3)sc2C1 1819074781 VNNJPLVCUKIAPG-NSHDSACASA-N 486.604 2.106 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cnc(Cl)s3)sc2C1 1820790447 IDTXPBJXTUJZJQ-SSDOTTSWSA-N 488.041 2.339 10 20 JECD O=C1Cc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CN4C(=O)CSC4=S)[nH]n3)c2N1 1821516839 FHCVFUOCNOCXBY-OAHLLOKOSA-N 498.590 2.071 10 20 JECD Cc1ccc(C(=O)C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cc1 1822294707 FVQIFKURBQRPIJ-MRXNPFEDSA-N 485.591 2.453 10 20 JECD Cc1ccn2c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cc(O)nc(O)c3)CC4)cnc2c1 1824302893 XFVJLPPUELMYDP-ZDUSSCGKSA-N 464.507 2.445 10 20 JECD C[C@@H](Cn1cccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828195489 OIXVTZCTKMRLSU-LQTBYQGRSA-N 483.550 2.418 10 20 JECD COc1ccnc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1 1829262493 XJVXCZNQIVPZOD-SFHVURJKSA-N 476.624 2.184 10 20 JECD COc1ccsc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1838295732 OCNPWIAPKDDQPI-OAQYLSRUSA-N 482.942 2.205 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)[C@H]2CC(=O)N(Cc3cccs3)C2)C1 1841981008 YEIHEWPGAHAKNQ-UABRLCRWSA-N 497.573 2.130 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)CC1(O)CCC1)C2 1843331666 VHHTVGKQJIPZAA-HXUWFJFHSA-N 486.613 2.213 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 16878669 GABSOTTXSJHGMI-HSZRJFAPSA-N 453.499 2.288 10 20 JECD CN(CCN1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1)Cc1ccccc1 731213098 IEBZMGQDTAGRHU-UHFFFAOYSA-N 483.632 2.028 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c1 747017488 MTYYVQKTHOALAL-UHFFFAOYSA-N 488.610 2.363 10 20 JECD NS(=O)(=O)Cc1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 748975901 NPFMECKXDIDLKL-UHFFFAOYSA-N 478.482 2.046 10 20 JECD CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 913361308 QADBSGXIFNZLTD-DLRWLJPMSA-N 495.648 2.352 10 20 JECD CNC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(CCCNC(C)=O)cc3)cs2)cn1C 914791243 LAKXJOJZTZWCOP-UHFFFAOYSA-N 475.596 2.378 10 20 JECD O=C(c1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1)N1CCOCC1 915268835 GEHROROWAGXUOI-HXUWFJFHSA-N 460.552 2.235 10 20 JECD COc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2cccnc12 917929259 BLRYGWMVVKJQIL-KRWDZBQOSA-N 454.552 2.424 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CO3)c(C)n1-c1ccc(S(N)(=O)=O)cc1 918057556 RZAFIMKSCMHCTM-UHFFFAOYSA-N 483.502 2.112 10 20 JECD O=C(NCCN1CCN(Cc2ccccc2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 918185853 JGSYESDYGIWISR-UHFFFAOYSA-N 455.578 2.279 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(=O)Nc1cccc(Cn2cncn2)c1 918277051 KCHVUNBAXWQBGH-UHFFFAOYSA-N 488.470 2.437 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)C1 918373390 XUYKIDHJDHXUPH-FQEVSTJZSA-N 496.589 2.390 10 20 JECD CS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 918815498 RZQJOIDDIZVAIR-UHFFFAOYSA-N 484.933 2.192 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccccc3N3CCN(C)CC3)CC2)cc1 920254477 KDHUZFIBVOMQKK-VAWYXSNFSA-N 463.582 2.291 10 20 JECD CSc1ccc(C(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1NC(C)=O 920635929 MDAFPZCXTFXYIZ-UHFFFAOYSA-N 452.510 2.484 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(F)nc1F)C2)C1=NN(c2ccccc2)C(=O)C1 1778127050 XZIKVGJXSYLPAQ-KBMIEXCESA-N 497.502 2.280 10 20 JECD O=C1CCc2ccc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)cc2N1 1782009083 QWEODLSOGNYVOH-DEOSSOPVSA-N 485.924 2.393 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1785024746 QARVPHRFDMGMMI-JQIPMYIQSA-N 499.995 2.401 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1c(Cl)cccc1Cl)CCO2 1785545240 KTTVCJYARNOOHO-LJQANCHMSA-N 488.418 2.297 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnc(O)nc4O)[C@H]3C2)cc1 1787430337 IDMVSMDDIZKRMG-NYVOZVTQSA-N 491.548 2.202 10 20 JECD COC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 1790126039 LWKOEEPTXGTABZ-BVSLBCMMSA-N 468.554 2.043 10 20 JECD CN1CCC[C@@H](C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)C1 1790397193 ZHSRTLOZBGNYFM-OAHLLOKOSA-N 460.625 2.323 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cc1F 1792218972 MTWJQBWEANLMFH-OUFAJUJOSA-N 486.496 2.258 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc(Cl)nc1F 1794246367 HILLUTRHCNLTSY-CULMDFNYSA-N 470.284 2.456 10 20 JECD COc1ccc([C@@H](O)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)cc1 1796930861 FYAFAMMGNJEEKM-SSYAZSBWSA-N 476.533 2.160 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1[C@H]2COC[C@H]21 1803393017 KCTSZADYLMOUPT-FAZHRNDASA-N 498.624 2.235 10 20 JECD O=C(Cc1c(F)cccc1F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804335713 GHWRTCFLAKWDMB-CLLJXQQHSA-N 453.536 2.006 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)Cc3cccnc3Cl)C2)CC1 1806864877 BLHRADDNKHVUHW-UHFFFAOYSA-N 481.043 2.369 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cn3ccsc3n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994798 BUWDUTHGARTZMW-AUUYWEPGSA-N 464.507 2.230 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1807999765 FVERAVRCLPPMPB-WZONZLPQSA-N 475.505 2.480 10 20 JECD O=C(Cn1cnc2ccccc21)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1812969618 JIIHMUMSINTLST-OSPHWJPCSA-N 472.505 2.257 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)[C@@H]1CCCSC1 1814143433 AGJQJIQUTBDMAZ-FCEWJHQRSA-N 478.665 2.091 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(-n3cnnc3)cc1)CC2)c1cc(O)nc(O)c1 1816722150 DHOHZRKEETVZDD-CQSZACIVSA-N 477.506 2.070 10 20 JECD CN(C)C(=O)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1 1816728000 FCDIQNVJHWGMKD-HNNXBMFYSA-N 481.534 2.191 10 20 JECD Cn1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)n1 1817563310 SQVQBMBTJYBHBD-DBWMJRBXSA-N 466.498 2.208 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(N3CCOCC3)cn2)[nH]n1)c1cc(O)nc(O)c1 1817844308 XHAXOOMWPJVQNN-LJQANCHMSA-N 493.524 2.067 10 20 JECD Cc1noc(C)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823495950 GJKYWBNMUUVEKF-ZDUSSCGKSA-N 462.557 2.181 10 20 JECD COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)nn1C 1827716437 LORNPPOVOZGTSJ-JOCHJYFZSA-N 492.580 2.455 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(Cl)n2)CC1 1829240362 MMLRKFOERZDKDJ-HNNXBMFYSA-N 482.031 2.224 10 20 JECD CC(C)(C)NCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1834698641 HVZUIPRGSNJNCP-UHFFFAOYSA-N 467.010 2.325 10 20 JECD COc1ccc([C@@H](C)C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834985463 FTMZYRKXXCWHAU-QGZVFWFLSA-N 482.581 2.490 10 20 JECD CC[C@H](C)CC(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1836795663 IXLRNUUBPJWPNQ-HNNXBMFYSA-N 455.646 2.282 10 20 JECD CCn1nccc1C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1837543545 XFGJPKPGJCVCPB-GQCTYLIASA-N 484.553 2.345 10 20 JECD CC(C)(C)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c[nH]1 1840879850 JMGMDXBFTWEIHW-MXDXTTGUSA-N 499.564 2.212 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ncn(-c3cccc(F)c3)n2)C1 1842169017 ZQFBIFYGHXCXFV-UHFFFAOYSA-N 487.495 2.016 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cc(-c3cccnc3)[nH]n2)C1 1844490803 XVNNZFHLJOQVAI-UHFFFAOYSA-N 469.505 2.082 10 20 JECD O=C(N[C@H]1CCC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)OCc1ccccc1 1845034654 ZBSQMCRTMXNLGQ-PMACEKPBSA-N 494.548 2.405 10 20 JECD COc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1OC 1847038232 INCUAXWZZIXXQT-WEVVVXLNSA-N 472.469 2.490 10 20 JECD Cc1cc(C(=O)COC(=O)CN2CCS(=O)(=O)CC2)c(C)n1-c1ccc(OC(F)(F)F)cc1 115691029 JXZONKAAUCPHPD-UHFFFAOYSA-N 488.484 2.449 10 20 JECD Cc1noc2ncc(S(=O)(=O)NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)cc12 726793895 SDFKPUMENNAWGL-UHFFFAOYSA-N 483.529 2.265 10 20 JECD Cc1cc(C(=O)COC(=O)Cc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc2c(c1)OCCO2 728367960 UUPUTCMJVAIQEU-UHFFFAOYSA-N 484.530 2.481 10 20 JECD C[C@@H](NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1nnc2n1CCC2 730937330 PKMYZIXUTYPMLM-MRXNPFEDSA-N 465.537 2.040 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 731359594 MPPOWXUPEDBYJB-UHFFFAOYSA-N 477.609 2.330 10 20 JECD COc1ccc(N2CCN(C(=O)CSc3nnnn3-c3cccc(NC(C)=O)c3)CC2)cc1 913123845 XQGXSWAYPXZDRP-UHFFFAOYSA-N 467.555 2.070 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)cc2F)C[C@@H](C)O1 917714072 MQBMOVMBZRIMLR-XCGNWRKASA-N 453.518 2.176 10 20 JECD Cc1c(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)sc2nc3n(c(=O)c12)CCC3 917832072 IGUWVQDTEWTTSB-INIZCTEOSA-N 465.579 2.344 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2F)C[C@@H](C)O1 918286812 KHXBECQXAHJWCA-HZPDHXFCSA-N 456.518 2.396 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H](CC(C)C)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)nc12 918807600 IHBFXXXFBLLAAA-SOLBZPMBSA-N 484.509 2.021 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H](C)NC(=O)C(C)(C)C)cc2F)C[C@@H](C)O1 918890237 LGLLSDJBSCJKRO-XHSDSOJGSA-N 451.539 2.150 10 20 JECD CS(=O)(=O)c1cc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1Cl 918948707 HFVPESFRBRITMW-UHFFFAOYSA-N 484.933 2.192 10 20 JECD O=C(CN1CCC(NC(=O)c2ccsc2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 920090059 KBRLCBSOWWYVGA-UHFFFAOYSA-N 460.575 2.234 10 20 JECD C[C@@]1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)CC=CCC1 1782729001 QUSACXHOWWJBSS-NPFVIJTESA-N 465.641 2.107 10 20 JECD O=C(Cc1cccc(OC(F)(F)F)c1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783010444 DXTAHFMAOZEZBD-NRFANRHFSA-N 481.427 2.078 10 20 JECD CCOC(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1)OCC 1783223086 UXVXQXVKCPEUFL-RBYHXMTESA-N 492.569 2.120 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccc3O)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790246303 VRLWVJHDRUCHCU-UVFQYZLESA-N 460.914 2.293 10 20 JECD Cc1ccc(SCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1797123173 BQKCUNNLXFZHOC-HBNMSFMJSA-N 492.601 2.470 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)cc1 1799620881 LSNPEECOMJVTTN-RMFSNUHRSA-N 478.509 2.242 10 20 JECD Cc1nc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cs1 1804516610 HAGZPEHQVHRXCT-BTYIYWSLSA-N 453.524 2.215 10 20 JECD Cc1cccn2ncc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c12 1808001693 VVCABXAEOHVLKE-UZUQRXQVSA-N 472.505 2.477 10 20 JECD CCOC(=O)/C=C/C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1809029160 PTLSCNWBERHEPK-MDZDMXLPSA-N 466.538 2.130 10 20 JECD CN(C)c1cccc(OCC(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)c1 1810547619 VTHQFOLVWVPSNL-UHFFFAOYSA-N 468.554 2.483 10 20 JECD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1 1816727118 FHKMTMUVDSBIIC-GFCCVEGCSA-N 498.521 2.463 10 20 JECD COc1ccc(COCC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1 1816728141 KYPCKWOOUVHXOS-HNNXBMFYSA-N 484.534 2.401 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@@H]1Cc2ccccc2N1 1821768512 QQLDUGAMNLAZFR-IRXDYDNUSA-N 484.607 2.299 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccc(Cl)nc1F 1833905767 UDUQRAKUYPORGR-UHFFFAOYSA-N 477.924 2.179 10 20 JECD COC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836912527 CUFQURYLEWIFKR-GOSISDBHSA-N 470.570 2.060 10 20 JECD CCc1nn(C)c(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1Cl 1837313422 SZHWLTRXWYOQGX-UHFFFAOYSA-N 491.976 2.368 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc(Br)ccc2F)C1 1841171109 PMAOBEAXLOBUKW-UHFFFAOYSA-N 486.388 2.266 10 20 JECD O=C(/C=C/C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1)NCc1ccccc1 1845500478 GMBCSNYITDOEEZ-BQYQJAHWSA-N 469.925 2.441 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@H]2F)C1 1845903306 MXOQJBZDDBEHJK-GBESFXJTSA-N 460.550 2.266 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038196 FOOMAYRNPUYTPL-CSKARUKUSA-N 465.506 2.276 10 20 JECD O=C(Cc1c[nH]c2ncc(Br)cc12)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1847290141 XDEBUNPNHFHOPS-HOTGVXAUSA-N 486.326 2.190 10 20 JECD CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c(O)c(Cl)c1 1847944702 JXZRZRVSGNJZIP-JHMUCCBASA-N 497.976 2.495 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CN(C)C(=O)c1ccc(Br)o1 727000602 XTJDZGXVDAZNSO-UHFFFAOYSA-N 466.332 2.382 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)c2cccs2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 812868391 VLQIHRWCZXADNU-AWEZNQCLSA-N 489.575 2.347 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NCCCn1cncn1 915159626 ORFSAXYXLSNASZ-ZSOIEALJSA-N 466.386 2.448 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(-c4nncn4C)c3)cc2F)C[C@@H](C)O1 918285963 CKOGGEDWPAFLFZ-HZPDHXFCSA-N 466.517 2.490 10 20 JECD COc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1NC(C)=O 918436817 FJKXIYDVAGRTJG-UHFFFAOYSA-N 458.490 2.009 10 20 JECD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CN3CCS(=O)(=O)CC3)c2C)c1 919135538 HCUNLGQGEIMVBK-UHFFFAOYSA-N 450.582 2.272 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H](C(C)C)n3nnc(-c4ccccc4)n3)nc12 920584468 MXPFBRPDMOEJBL-SFHVURJKSA-N 465.470 2.206 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(F)cc1F)C2)c1cc(O)nc(O)c1 1777850634 LHDQRZAZMXQBJP-WZONZLPQSA-N 461.465 2.141 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)C1 1780289269 CVVROUXRGAGYJD-TTZARTBGSA-N 490.516 2.350 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc(O)cc1F 1780937502 JHGIOPUWSZETNS-ATIYNZHBSA-N 494.523 2.452 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(O)cn1)C2)c1cc(O)c(O)c(Cl)c1 1781123177 ZEKYGHPFQCKFMT-AUSIDOKSSA-N 475.929 2.222 10 20 JECD CCOc1ccccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783246016 NNMWTIJCTVNGTN-WZONZLPQSA-N 491.635 2.073 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cn3c(Cl)cccc3n1)CCO2 1785505456 IQNOWQQCLYWVKO-SXBBHYFQSA-N 498.923 2.261 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cnc3c(Cl)cccn13)CCO2 1785509182 OVHZUGSOOLYSOA-WUQPGSQJSA-N 498.923 2.261 10 20 JECD Cn1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)c(C(F)F)n1 1790243546 XIYQJIXMVHGDSN-PKWAYOAASA-N 484.887 2.329 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)CN3CCSCC3)CCC2)cc1 1792314694 PGCBTGZTVAYYNI-UHFFFAOYSA-N 478.665 2.030 10 20 JECD O=C(/C=C/C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)NCc1ccccc1 1796930842 DXIAVSUYCZLGBU-WYMSXFMSSA-N 499.571 2.290 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796931221 VSRPKLXVXMIVST-DKKFBQAASA-N 483.569 2.331 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2nscc12 1801075519 IVGHDUKVBXAZGT-CLLJXQQHSA-N 460.606 2.408 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)COc2ccccc2F)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807997500 AHRFBHNDLXGPPZ-HJPURHCSSA-N 466.469 2.426 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)n1cccn1 1808470180 TZYLDVHCGLPGRS-DRMXPCRNSA-N 485.548 2.338 10 20 JECD CCO/C=C/C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813248019 FVERWINKVDYAGH-HYZXNOAKSA-N 461.522 2.431 10 20 JECD C[C@H](Oc1ccccn1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1813406554 ITIBIORIIDZQIZ-LBUQITIBSA-N 463.494 2.070 10 20 JECD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)nn1C 1814162868 XMARHQRXADTXEN-MOQNJDDVSA-N 491.548 2.202 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cn1 1814185159 LOKGDJYYXJUDLU-WMZHIEFXSA-N 497.646 2.284 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccsc2)[C@@H]1c1cccnc1 1814185500 CEOHKYZPCCJVKN-RDTXWAMCSA-N 460.606 2.323 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)C2CCSCC2)[C@@H]1c1cccnc1 1814192205 UPKUYHCNFRBRGC-QFBILLFUSA-N 478.665 2.091 10 20 JECD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728403 OFRTWPZYIZOJAA-QWHCGFSZSA-N 491.570 2.478 10 20 JECD CC(C)c1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)n[nH]1 1823500064 MAUIGJDCNODPBE-HNNXBMFYSA-N 475.600 2.422 10 20 JECD Cc1ncc(/C=C/C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)s1 1827125864 CBMHXSGVINDIJY-JOAKQRRISA-N 493.661 2.394 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2Cc3ccccc3CN2)CC1 1827619198 PHUIKCAEXLOWHB-YADHBBJMSA-N 464.566 2.441 10 20 JECD C[C@H](Nc1cnccn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1828940352 GKTGQRNBTOBZHM-MAUKXSAKSA-N 454.531 2.017 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1829127427 LKXBOMBNBMZREK-FUHWJXTLSA-N 489.667 2.362 10 20 JECD Cn1ccc(=O)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1829646822 CCTHHKIHIWBLOU-IEJURRBGSA-N 481.549 2.449 10 20 JECD C[C@@H](Nc1nccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902435 MDPBZZPQUDCJCH-GDBMZVCRSA-N 495.696 2.424 10 20 JECD Cn1cccc1C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1834100754 BNKKVKZKZTZPPS-FNORWQNLSA-N 468.554 2.041 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1cncs1 1834294267 HJWDTMAEMQAEMM-DUXPYHPUSA-N 472.567 2.159 10 20 JECD Cn1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c(C(F)(F)F)c1 1834986847 BDHQJUTXIZGAPO-UHFFFAOYSA-N 495.502 2.349 10 20 JECD O=C(c1cc(F)ccc1I)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250579 NMCTYZPLHMQJMR-UHFFFAOYSA-N 497.264 2.367 10 20 JECD Cn1ncc2c(C(=O)N3CCCC34CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)cccc21 1843799293 KNIIQBJIFGJMMK-UHFFFAOYSA-N 456.506 2.183 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 15360921 NFZHJOBJNVRGDM-UHFFFAOYSA-N 481.640 2.374 10 20 JECD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 506473484 UUQTYSMXYFDSLK-UHFFFAOYSA-N 487.603 2.496 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCN(c4ccc5c(c4)OCCO5)C3=O)CC2)cc1 730518845 QZRYEOICYRUIHK-HSZRJFAPSA-N 494.592 2.148 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cc(F)ccc3OC[C@H]3CCCO3)cc2)C1 730911652 MGDAKDMFJZZQLN-GHTZIAJQSA-N 498.555 2.340 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 750126954 ULVRHEYMBBUXGD-GOSISDBHSA-N 487.578 2.116 10 20 JECD O=C(COC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NC[C@@H]1CCCO1 913361870 JOOSZPJYBXFODX-QDECMSLZSA-N 499.408 2.489 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)N[C@@H]1CCCCNC1=O 918096469 SKUUOIDTKVQCRP-CKXDQPNJSA-N 468.398 2.435 10 20 JECD O=C(CNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NCC(F)(F)F 918159800 CZBYCZOFSWZNLH-VZUCSPMQSA-N 496.330 2.445 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)nc12 919027105 KSGBJRAEDCAHPU-UHFFFAOYSA-N 470.526 2.378 10 20 JECD CCC(=O)N1CCC[C@@H](C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 919453019 FVADOLPGJZUOGZ-ZIFCJYIRSA-N 463.550 2.247 10 20 JECD CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(N2CCOCC2)cc1 919859596 BCDCEHSNQILNOV-OAQYLSRUSA-N 494.013 2.026 10 20 JECD CN1CCN(S(=O)(=O)c2cccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2)CC1 920062064 MOAGJFBUIFWCGC-UHFFFAOYSA-N 487.626 2.123 10 20 JECD CCOC(=O)c1c(N/C=C2\C(=O)NC(=S)N(CCOC)C2=O)sc2c1CC(C)(C)NC2(C)C 920976168 KIWXFSJSJCQITL-ACCUITESSA-N 494.639 2.270 10 20 JECD Cc1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)ccc2c1OCCO2 1777848261 NHZUWOAGRLNJQF-KBMIEXCESA-N 483.521 2.014 10 20 JECD COc1ccc([C@H]2C[C@@H]2C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1 1777849733 ZZAMARRGTIYJDJ-SBZFUYPRSA-N 481.549 2.433 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753019 ZCIDSWWIQUTQQW-OZXSUGGESA-N 466.582 2.452 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cn3cc(F)ccc3n1)CCO2 1782005401 CUHMNUOZFFFHID-QFIPXVFZSA-N 474.876 2.295 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)C2 1783221964 VPTCFSHKBHGSMC-GUAXBSNNSA-N 472.563 2.206 10 20 JECD CCc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc(C)n1 1785505203 DJQTWFSIKXWGLF-NHDFZSDJSA-N 467.522 2.226 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1cc3cc[nH]c3cc1Cl)CCO2 1785541233 XMZIOALRBCDSPW-NRFANRHFSA-N 493.010 2.125 10 20 JECD O=C(CCOc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1786411279 QZWGKLASPCXDMT-APTRMMRNSA-N 490.560 2.228 10 20 JECD Nc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)sc2nccnc12 1796162777 XFFBJTLSRJELQA-LJWNITHASA-N 481.534 2.356 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cnc(Cl)s1 1798236012 MJXXWAWSZSHHCY-WDAIWFPHSA-N 458.323 2.378 10 20 JECD CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)N(CC)CC 1803699968 SGSMPAIUNDFUIE-SFGWALBWSA-N 455.559 2.328 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cnccn1 1805435151 FKVWKJPKDOYBAY-JEYNVIPUSA-N 461.478 2.021 10 20 JECD COc1ncc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1F 1807992527 ZPWVXSBGVQWPTG-XOBRGWDASA-N 467.457 2.064 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnsn2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808464123 JIMLXKHGCOWSRZ-KKSFZXQISA-N 475.534 2.046 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc(=O)n2O)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811797971 JOBJTYXZGHJFSU-VLIAUNLRSA-N 484.896 2.179 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cn2ccccc2=O)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811802794 CGOKBRVPETYAIJ-ZHRRBRCNSA-N 482.924 2.328 10 20 JECD CC(C)(O)CC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162150 HCDQPGQRUUMFPV-QSUDOZCYSA-N 455.511 2.079 10 20 JECD O=C(COc1ccc(O)cc1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1814688495 ANOUSIGSHICPMU-QGZVFWFLSA-N 453.455 2.306 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccccc1O 1816267160 AWHLROSHIMNOPK-AWEZNQCLSA-N 459.553 2.282 10 20 JECD COc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)ccc1O 1816727311 NGMASVBYRIZWST-GFCCVEGCSA-N 456.480 2.203 10 20 JECD Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cn1 1823497400 YHEQNKUWSHZAFP-OAHLLOKOSA-N 458.569 2.279 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)[C@H]2Cc3ccccc3CN2)CC1 1827619197 PHUIKCAEXLOWHB-FGZHOGPDSA-N 464.566 2.441 10 20 JECD O=C(/C=C/c1cccc(O)c1)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828246965 LPPXTMIVIKNMJF-WXJAXGNASA-N 488.616 2.334 10 20 JECD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)n1ccccc1=O 1829080911 JNHOXEORQOXMTJ-APWZRJJASA-N 454.527 2.149 10 20 JECD Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)on1 1832898599 RHNMWJCJPNKKEP-HNNXBMFYSA-N 450.586 2.077 10 20 JECD Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)n1 1834148426 HLOISDHSWHVKKE-UHFFFAOYSA-N 488.592 2.368 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccn(C)n4)C3)C2)cc1 1839348697 HCKAJRGTMCXQEV-SANMLTNESA-N 477.565 2.211 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ccoc3cn1)CCO2 1839486080 AGAUJXJZYWHITJ-HSZRJFAPSA-N 487.896 2.276 10 20 JECD Cn1cnc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1C(F)(F)F 1843520965 RUWPDUBQFPDFAC-GQCTYLIASA-N 466.416 2.086 10 20 JECD COc1cc(CC(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)ccc1[N+](=O)[O-] 1845147903 RZVMCBIYTDJFTG-UHFFFAOYSA-N 491.504 2.142 10 20 JECD Cc1cc(C)n(-c2nnc(SCC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2N)n1 18804979 DDICKENORJQGKN-UHFFFAOYSA-N 473.518 2.301 10 20 JECD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c3cn(C)c(C)n3)c2C)c1 727008522 RJSBBQLSXXPRNA-UHFFFAOYSA-N 458.540 2.149 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc4c(c3)NC(=O)CN4)cc2F)C[C@@H](C)O1 727524032 REMZXABGDXVMSI-GASCZTMLSA-N 470.501 2.277 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@H](c3ccccc3)N3CCC(O)CC3)CC2)cc1 729294141 YJKWKXSAIOXAIC-VWLOTQADSA-N 467.566 2.085 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(NC(=O)C4CC4)cc3)CC2)cc1 915744672 QDUZXVWZYADJAP-UHFFFAOYSA-N 479.581 2.311 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 916197531 WJSRNRCDAZXCFA-UHFFFAOYSA-N 461.607 2.470 10 20 JECD COc1ccc(N2CCCN(Cn3nc(CCC(N)=O)n(C[C@@H]4CCCO4)c3=S)CC2)cc1 917484385 DLGFJNCSKIFEPA-FQEVSTJZSA-N 474.631 2.189 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(NC(C)=O)ccc2OC)cc1OC 917759375 PMDHXSHHUCCLSA-UHFFFAOYSA-N 457.530 2.225 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(N4CCNC4=O)c3)cc2F)C[C@@H](C)O1 918286328 GZVIYJRAEBVWHF-IYBDPMFKSA-N 469.517 2.224 10 20 JECD Cc1c(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c(=O)n(-c2ccccc2)n1C 918437387 GMPGQAVHIMZLNX-UHFFFAOYSA-N 465.579 2.293 10 20 JECD Cc1cccc(C(=O)NCCNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919782024 AKIDWHXHFDGNOR-UHFFFAOYSA-N 491.571 2.480 10 20 JECD Cc1cc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=S)N(CC(C)C)C3=O)cc2)nc(C)n1 920976194 JVOSLYWPMSLJNQ-LICLKQGHSA-N 488.595 2.089 10 20 JECD CC(C)CN1C(=O)/C(=C/Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)C(=O)NC1=S 920979035 RAYLBYDTBOTJIP-SFQUDFHCSA-N 477.612 2.133 10 20 JECD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)N1C[C@H]2C[C@H]2C1 1779255011 ACSUKMWGFXRDRO-RMRGNVRKSA-N 477.989 2.219 10 20 JECD CCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1793246283 MFFZPQFRSRDGAA-ZGDJDIHISA-N 466.582 2.212 10 20 JECD CC(C)(C)OC(=O)CCCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796140101 BNXJFWXFCLKOTG-FEJSZKPUSA-N 491.585 2.378 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C1\C(=O)Nc2ccccc21)C1=NN(c2ccccc2)C(=O)C1 1798344994 ZYBDHNWLLXCAPU-BUZJXTRYSA-N 483.528 2.453 10 20 JECD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)nn1C 1803288829 FWFYQQXSQVTGPN-FNZWTVRRSA-N 499.575 2.165 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cnc(C(F)(F)F)cn1 1807907687 MYJGERWBBNUYMI-DJJJIMSYSA-N 488.426 2.330 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(Cl)c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992203 WGJZDRKIBCBDFC-ZUOKHONESA-N 469.885 2.275 10 20 JECD Cn1cc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)cn1 1813460188 VZDVNBYMBOOOKS-IIBYNOLFSA-N 469.929 2.442 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN)n[nH]1 1817238261 FNMFNNXZRHVRQR-MOPGFXCFSA-N 485.589 2.079 10 20 JECD Cc1nnc(CC(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)s1 1817361948 CKJMSLGYGAOHTF-CYBMUJFWSA-N 495.590 2.251 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cnc3ccccc32)[nH]n1 1823499408 DZBHJMWJDODFFP-KRWDZBQOSA-N 497.606 2.312 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823711336 ZZDJSSXXFIYIRI-KOLCDFICSA-N 464.931 2.124 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898579 QEJATVIHJUKXOC-APWZRJJASA-N 489.667 2.362 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)o1 1839432274 JHLYZOYYWGXXSL-NRFANRHFSA-N 450.875 2.036 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 1844993868 IPVPWRVUEBFBFF-FQEVSTJZSA-N 450.539 2.365 10 20 JECD NC(=O)CCOc1ccccc1NC(=O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726726869 RKKVGYCXCSKTDQ-UHFFFAOYSA-N 476.480 2.266 10 20 JECD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 728263390 YHTPTQRKANULQV-UHFFFAOYSA-N 457.486 2.319 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCCN3c3ncnc4sccc34)nc12 728673260 QDCGOISTJPJAOI-HNNXBMFYSA-N 468.495 2.329 10 20 JECD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCC(=O)N1CCOCC1 914607596 IGGWDYNMOLALMP-SQFISAMPSA-N 453.611 2.095 10 20 JECD CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)o1 916456268 BAHMZQVBZWAUHR-UHFFFAOYSA-N 461.462 2.315 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)cc2)C1 917834622 LMWOVNYSUONNHY-DHIUTWEWSA-N 462.594 2.486 10 20 JECD CN(C)C(=O)COc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 918031920 AHZMLSXJIOIOSG-GOSISDBHSA-N 453.543 2.177 10 20 JECD Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(C)n1-c1ccccc1Br 918603646 BSVIJEDPIDOSQB-UHFFFAOYSA-N 473.371 2.420 10 20 JECD O=C(NCCNc1ccccn1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 920438623 IERBVXZIIXWKDC-UHFFFAOYSA-N 457.468 2.338 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)c(F)c1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127137 BPBOYIMPTUKNLM-ATIYNZHBSA-N 494.523 2.452 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCc3nc[nH]c3C1)C2)c1cc(O)c(O)c(Cl)c1 1781123006 LFRCPXOQUYFJDH-UHXKVLTISA-N 488.972 2.407 10 20 JECD Nc1c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)sc2nccnc12 1782002669 VCRCYHGVJFIIIG-NRFANRHFSA-N 489.941 2.095 10 20 JECD O=C(CN1CCc2sccc2C1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004116 TYMPHSMBUUZBRW-HSZRJFAPSA-N 491.997 2.315 10 20 JECD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(F)c1 1785509762 CQZRHOREDKTMAJ-CMEAPCDJSA-N 472.469 2.108 10 20 JECD CC(C)[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1)c1ccc(F)cc1 1785547066 QREQZMBVLZRLOP-NZQKXSOJSA-N 493.626 2.256 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccc(-n2cnnc2)cc1 1786769271 NVVBMWDZFYXQQU-XERREHJYSA-N 497.939 2.239 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)NC4)C[C@@H]32)cc1 1790124418 XQCSNLLXXTYIMP-KJBBBAAKSA-N 478.593 2.214 10 20 JECD Cc1cc(Br)sc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796139580 GJYFPRIGRWPQEJ-DRXBFXEBSA-N 482.356 2.142 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3cncn3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995215 FCRPPFFIIKVDCK-KSFYIVLOSA-N 458.478 2.169 10 20 JECD CC(C)NCCC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808467550 HUBMJBBICMGVAU-CJFMBICVSA-N 476.581 2.268 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1O 1810653810 RAMFUUJJYGPKSH-UWJYYQICSA-N 484.603 2.276 10 20 JECD Cc1ccn2c(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)cnc2c1 1812254474 VGRSNQUZSWQUNL-HXOBKFHXSA-N 472.505 2.477 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cnco2)[C@H]1c1cccnc1 1814161928 NEBXJJRFQMUYHR-XGBCVQCSSA-N 450.451 2.219 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CCN2CCCC2)[C@H]1c1cccnc1 1814165283 DQHKIPACTSOHEV-ANWYUNHFSA-N 480.565 2.404 10 20 JECD COc1ccc([C@H](O)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cc1 1814635729 JXMYPGFSIAJXNL-UWJYYQICSA-N 467.482 2.264 10 20 JECD CN(C)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816227872 LBQAORYXNRCBJO-INIZCTEOSA-N 487.611 2.037 10 20 JECD CN(C)C(=O)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1 1816728001 FCDIQNVJHWGMKD-OAHLLOKOSA-N 481.534 2.191 10 20 JECD COc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)nn1C 1820379278 BOEJZJNLSNQCNL-MNDMWVCDSA-N 482.497 2.288 10 20 JECD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)COC1 1823872906 WZZNSWBZVJYXCD-NRFANRHFSA-N 452.555 2.436 10 20 JECD Cc1nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)c(=O)[nH]c1C 1825449004 QDGFIOKORLSKRJ-QRBZPYHOSA-N 496.564 2.450 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)CCCc1ccncc1)CC2 1828240702 ZICMUUQOGQCAHV-CQSZACIVSA-N 489.648 2.333 10 20 JECD O=C(CN1CCOC1=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739019 ZUHWGIXLIMYHJI-QGZVFWFLSA-N 465.934 2.437 10 20 JECD C[C@@H]1C[C@@]1(C)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835133821 BIPZTBWGVYPVGQ-WXTAPIANSA-N 465.598 2.397 10 20 JECD Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1835628326 JAEAVOQTLMFBLX-SANMLTNESA-N 493.564 2.357 10 20 JECD CC(C)(C)OC(=O)N1CCCC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)C1 1843251578 KWHQKPMDZLLOGE-MRXNPFEDSA-N 474.558 2.347 10 20 JECD COc1cc(OC)cc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1 1843442755 YIHRXZDYPPQWTQ-UHFFFAOYSA-N 462.506 2.314 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 38588603 QWWXJGPOONPFOA-UHFFFAOYSA-N 474.627 2.278 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)cc1C(=O)O 728015792 VHBAHSVCPODIMM-UHFFFAOYSA-N 467.294 2.459 10 20 JECD Cc1cccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)C2=O)c1 730747067 DDXFKPXTXQUYHQ-KNQAVFIVSA-N 477.565 2.218 10 20 JECD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 751405868 NOHJPDBAOAXGQI-HXUWFJFHSA-N 477.583 2.188 10 20 JECD Cc1cc(CN2CCN(CC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)CC2)no1 916986218 OZAMNEFRFVABID-KDURUIRLSA-N 459.566 2.170 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)cc2)C1 917835066 YLTZWTCBWTWQMH-DENIHFKCSA-N 450.539 2.436 10 20 JECD Cc1sc2ncn(CCC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c(=O)c2c1C 917835083 ZCCNQTMAGVEOLM-SFHVURJKSA-N 467.595 2.483 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3nnc4ccc(C(F)(F)F)cn34)cc2)C1 918117428 DXMCBOGFDWEGAJ-OAHLLOKOSA-N 475.475 2.449 10 20 JECD COc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)cc1 918221523 WITCDJDGJVUALJ-UHFFFAOYSA-N 470.545 2.463 10 20 JECD COC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918287104 OCRSTTBGPZAXNK-HOTGVXAUSA-N 473.501 2.246 10 20 JECD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)c2C)c1 919074092 ZGHYIUBZXHHVIR-ICSRJNTNSA-N 472.563 2.164 10 20 JECD O=C(NCCNc1ccccn1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919783409 VGTCVYUZCKXZMQ-UHFFFAOYSA-N 450.522 2.249 10 20 JECD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1N(C)C 1785509870 IEHOSRSOQNHCFO-KXZPLDGJSA-N 497.548 2.035 10 20 JECD CN(C)[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc(Cl)cc1 1790674095 YOSDNQHOHFYLFK-SXTKRDDTSA-N 488.972 2.042 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3cnn4c3CCC4)cc2)CCC1 1790890538 WTBUHTCYHJJRPI-UHFFFAOYSA-N 469.592 2.437 10 20 JECD C[C@](O)(C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1)C(F)(F)F 1792313894 HKPIDRPKSIQRDQ-KRWDZBQOSA-N 475.514 2.294 10 20 JECD CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796602605 RIEDFJBWCAYNDZ-XMTFNYHQSA-N 474.558 2.438 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(Cl)c(F)c(Cl)c1 1799763025 QQRZMLMMZWVUQT-KSPBDQMDSA-N 470.284 2.456 10 20 JECD CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1801785338 MKYFKJKNXVXTTD-CWPLJXCYSA-N 473.913 2.227 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c(C)o1 1805565625 MQXWMXUAYHHQAR-JXFKEZNVSA-N 472.592 2.471 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](CNC(=O)CNC(=N)N)[C@H]2c2cccnc2)cc1 1807060262 XELGILVOJPAEII-XUZZJYLKSA-N 473.581 2.292 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1c[nH]c2nccc-2c1 1808077597 JIDPDJSUICYXKX-IERDGZPVSA-N 458.478 2.349 10 20 JECD COC[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808464100 JGDXZRDLXIUYJV-GEQKSPFYSA-N 463.538 2.163 10 20 JECD Cc1ccn(CC(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n1 1808465276 SKAWKEKVUANUJM-NLFFAJNJSA-N 485.548 2.085 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1nc2ccccc2[nH]1 1809042531 XEVHIKMTHOMFHB-VFNWGFHPSA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1n[nH]c2ccccc12 1809829652 DEUBYWQDDKESEV-YCRPNKLZSA-N 494.602 2.138 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ncccn2)[C@H]1c1cccnc1 1814161556 AKLHDAQBOKSJFN-YQPNNZSJSA-N 461.478 2.021 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)/C=C/c2cccc(O)c2)[C@@H]1c1cccnc1 1814190307 WLIPSDDBJJZGHZ-CWNBPXTLSA-N 496.614 2.367 10 20 JECD CCc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n(C)n1 1817362210 QUTDINLNXNSJBO-HNNXBMFYSA-N 491.577 2.458 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCCC2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818145676 CHOBFRRTPKHCIB-HXUWFJFHSA-N 463.542 2.291 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cccn4ccnc34)sc2C1)c1cc(O)nc(O)c1 1819154306 BIVDQVWTHWQJEU-LBPRGKRZSA-N 450.480 2.137 10 20 JECD Cc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)ccc1O 1823328551 HWTWTDGCOFOPNU-GFCCVEGCSA-N 476.605 2.243 10 20 JECD Cc1ccn2c(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cc(O)nc(O)c3)CC4)cnc2c1 1824302891 XFVJLPPUELMYDP-CYBMUJFWSA-N 464.507 2.445 10 20 JECD CC(C)N(C)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1827262892 JQMYRBJAUKMFLN-VZUFXWRPSA-N 460.556 2.226 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCOC3)sc2C1 1828192346 JZSCEQGGIGFEII-CCRJBVLDSA-N 459.524 2.312 10 20 JECD O=C(CCN1CCCC1)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1828398075 GODDLBSUKNMCFU-MRXNPFEDSA-N 480.594 2.334 10 20 JECD C[C@H](CC(N)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830738966 ZBRTUEDVAJKCSR-DYVFJYSZSA-N 451.951 2.496 10 20 JECD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)n1cccc1 1835133835 CAQKAAFRJCAEMC-HXUWFJFHSA-N 490.608 2.414 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cnc4ccccc4n3)CC2)CC1 1838031605 UTYKDYSWNYCGKV-UHFFFAOYSA-N 477.521 2.362 10 20 JECD O=C(Cc1cccc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431838 PZEAERCIDFAHEM-QHCPKHFHSA-N 478.904 2.203 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1841474953 ULYGGNWIVGEHAF-JKSUJKDBSA-N 460.531 2.003 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cc(N3CCCC3)ccn2)C1 1843507907 DFZWOFKJJOPWSX-FNORWQNLSA-N 464.522 2.329 10 20 JECD Cc1c(Br)c(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)nn1C 1847038952 VVECLBVTRZEHHC-FNORWQNLSA-N 491.342 2.138 10 20 JECD COCCCN1CCC(NC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 726984424 SBUJWHUCHKAOFS-UHFFFAOYSA-N 492.554 2.332 10 20 JECD C[C@@H](OC(=O)CNC(=O)c1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 727542639 XBSNEJGJJCRBBC-CQSZACIVSA-N 472.453 2.468 10 20 JECD CCCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 727834196 KVYMBRYTXVOTNA-LJQANCHMSA-N 459.568 2.434 10 20 JECD COc1cc(OC)c(CCNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(OC)c1 731045293 ATHFOZJHFDJPLM-SFHVURJKSA-N 470.570 2.456 10 20 JECD COC(=O)c1ccc(OCCNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 731282528 OORJGKVNXRDLLO-IBGZPJMESA-N 454.527 2.053 10 20 JECD CC[C@@H](C)[C@H](NC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)OC 747880257 DGSHEUYBYXULFD-BLVKFPJESA-N 482.445 2.231 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc(-n3cccn3)nc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 825842142 YBGANSUNRPAQBP-UHFFFAOYSA-N 479.518 2.362 10 20 JECD C[C@H]1CN(c2ccc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cn2)C[C@@H](C)O1 917833744 SZHTXJOLIHUTNO-UEXGIBASSA-N 451.571 2.327 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3ccc(F)c(F)c3)cc2F)C[C@@H](C)O1 917990573 KZCFTYCVYDPHRJ-GASCZTMLSA-N 493.482 2.307 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H](NC(=O)c3ccc(C)cc3)C(C)C)nc12 918788655 ORBLAPOXABGQMG-IBGZPJMESA-N 454.483 2.418 10 20 JECD CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 919766792 UMHAWHWZEINRLL-OAQYLSRUSA-N 463.625 2.240 10 20 JECD O=C(CNC(=O)c1ccccc1OC(F)F)NCc1ccc(N2CCC(O)CC2)c(F)c1 919970528 IXVXNGWPSSYAHD-UHFFFAOYSA-N 451.445 2.434 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCc1ccncc1)C2)c1cc(O)nc(O)c1 1777848791 DAMDPIPJYGLZRT-NTKDMRAZSA-N 454.527 2.038 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)c(F)cc3F)C2)C1 1781508672 PCCUDSWCAHJQSD-FQEVSTJZSA-N 453.829 2.182 10 20 JECD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc(C)c1C(=O)O 1785510150 OSPRDKXMXOUKJA-JFAKYYBVSA-N 496.516 2.275 10 20 JECD CC(C)(C)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)cn1 1787292421 PCJFXQOXBVVNOY-SZMVWBNQSA-N 454.527 2.092 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790244109 NFLGRSQWAGWXQX-PJFSTRORSA-N 491.884 2.272 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cccc2ncccc12 1796797131 HCEZXBAMBANCAW-LWDWJGHZSA-N 483.528 2.231 10 20 JECD O=C1COc2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3=NN(c4ccccc4)C(=O)C3)cc2N1 1796934844 VAMHEGNAABXSDY-GGPHIMKMSA-N 487.516 2.062 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@@H]1Cc2ccccc2O1 1796934918 ZDBZGPJBAXKGKG-USKVXJDGSA-N 458.518 2.421 10 20 JECD COc1cc(F)cc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1800856353 DCTWVUGYTZMYTI-FMDNYFPMSA-N 498.507 2.267 10 20 JECD Cc1nccn1CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1802883642 OWMLCBNKPQLBJP-NUZGMZIFSA-N 462.554 2.403 10 20 JECD CCSc1cccnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804335748 CCCZXYQUZVEPMX-BTTYYORXSA-N 464.638 2.306 10 20 JECD CC1(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)CN(C(=O)OC(C)(C)C)C1 1804581772 XVQJBMCGNYFXRN-BJWYYQGGSA-N 474.558 2.392 10 20 JECD O=C(Cc1cnccn1)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1805720975 ZLNCWLYOCYLLJR-UHFFFAOYSA-N 460.538 2.043 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccc(O)cn1 1806110356 LWFFGNSOQYLURA-JPSNIWGYSA-N 476.489 2.332 10 20 JECD COc1ccc(CCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cn1 1807993690 MATANQJONBTIKZ-HOYKHHGWSA-N 477.521 2.244 10 20 JECD Cc1ccn2ncc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c2c1 1808161530 CKYSWXCUMWTCOD-HXOBKFHXSA-N 472.505 2.477 10 20 JECD COc1cccc(CC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1814186844 YPPKJPBXXJPVSW-WZONZLPQSA-N 498.630 2.199 10 20 JECD O=C(COCc1ccccc1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1814522182 VDOSTIAUJGIUPW-AWEZNQCLSA-N 490.632 2.132 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cc(Cl)ccn3)sc2C1 1820395031 VBQCHJKCXDZMCT-JTQLQIEISA-N 482.012 2.278 10 20 JECD Cc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)nn1C(F)F 1821558541 DKSBOZYWHPUXRR-SNVBAGLBSA-N 464.454 2.389 10 20 JECD O=C(CCc1cccc(O)c1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1826336414 PYNPOKDFFFROKQ-ZDUSSCGKSA-N 490.632 2.254 10 20 JECD C[C@H](Cc1ccccn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1826541312 SNNAFAANCFMLNA-IUODEOHRSA-N 453.524 2.449 10 20 JECD CN(C)c1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc1 1828247520 VXKISLFVPVKWRW-ZDUSSCGKSA-N 489.648 2.295 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828247602 ZTKKBTYBAMSUCF-OLZOCXBDSA-N 490.632 2.383 10 20 JECD COc1ncc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cc1F 1832896526 KIIYTRHBXKPZJF-KRWDZBQOSA-N 494.614 2.323 10 20 JECD O=C(CC12CCCN1CCC2)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902026 WWMPHMACEVOKQR-IBGZPJMESA-N 492.711 2.485 10 20 JECD O=C(/C=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432421 NMIGPOPGJBFBBY-LFTXJPJQSA-N 462.886 2.128 10 20 JECD Nc1ccccc1/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434019 JDMBQONWPWZDBV-ZFTMLNQLSA-N 487.940 2.117 10 20 JECD O=C(c1ccc(OC(F)F)cc1F)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055909 OEPKZGNNVNJFPY-UHFFFAOYSA-N 473.498 2.104 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCN(Cc2cn3ccccc3n2)CC1 195564515 MGODDPXULDERTP-UHFFFAOYSA-N 452.534 2.337 10 20 JECD O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565332 CGKKSTSFCZALJO-UHFFFAOYSA-N 465.478 2.218 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)c1 729063685 KLSWOLDHGGMFRS-OAHLLOKOSA-N 488.516 2.017 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730519439 YRPVKGYVDGAMOS-OAQYLSRUSA-N 451.523 2.306 10 20 JECD Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 744661689 HSIMIAZGCPXYKR-GFCCVEGCSA-N 462.418 2.446 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(CN4CCCCC4=O)c3)cc2)C1 747991794 PITVDOLPIIDCSZ-NRFANRHFSA-N 491.592 2.156 10 20 JECD Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cn1 750723926 AYMOKMCTWDLPFH-UHFFFAOYSA-N 479.559 2.188 10 20 JECD C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1=O 917832911 JOKRSTSCGAXSJL-HKUYNNGSSA-N 450.539 2.209 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CS(=O)(=O)CCCc3ccccc3)cc2)C1 917834716 OLMGHZLWGZQAQL-NRFANRHFSA-N 457.596 2.052 10 20 JECD Cc1oc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1S(=O)(=O)N1CCCC1 917836697 RPFKLWYVDSCCNI-GOSISDBHSA-N 474.583 2.004 10 20 JECD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918286488 IFWSBDLFEOPGLA-UHFFFAOYSA-N 456.518 2.364 10 20 JECD O=C(COC(=O)COC1CCCC1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 919387626 YEVOGSFDFUGSNS-VCHYOVAHSA-N 492.575 2.235 10 20 JECD CCN(CC)C(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 920317107 UHYMFFOCFLNVMX-FQEVSTJZSA-N 472.611 2.349 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3CN3C(=O)CCC3=O)cc2F)C[C@H](C)O1 920787306 OPKZBUZUBKORIU-IRXDYDNUSA-N 496.539 2.343 10 20 JECD Cc1cccc(C)c1SCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1779289657 IVCQLJJMRILKRR-QHCPKHFHSA-N 457.552 2.345 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004231 UOKWQMZRZOZTSS-MWTRTKDXSA-N 495.960 2.204 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1nc(Cl)ccc1F 1785475287 YMJBXMVRDSXZCF-OQEHJRJISA-N 491.903 2.298 10 20 JECD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1785563232 YTCCDBXMHRASBP-OYLFLEFRSA-N 487.940 2.013 10 20 JECD CS(=O)(=O)c1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)nc1 1788424378 YFNYJZIOGJMYKC-UHFFFAOYSA-N 482.518 2.353 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c(O)c1 1791929042 HRQFPUTXGRQOIX-GAIIMQAISA-N 468.506 2.124 10 20 JECD COc1c(Cl)ccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1798690005 BDMXQPCKPTWNNM-DRXBFXEBSA-N 482.320 2.325 10 20 JECD O=C(Cc1cc([N+](=O)[O-])ccc1F)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804157544 NBGJNMYLNOUEDA-NPMXOYFQSA-N 495.467 2.497 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cncnc1 1805795032 OWDMKAFTXHMOKJ-VYHZTRRPSA-N 461.478 2.021 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC2(CCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)CC1 1806707603 WQYBMVLFPKDMIA-IBGZPJMESA-N 453.495 2.178 10 20 JECD CC(C)(O)CC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1806781342 OJGWOJLMODLJOZ-SAWCTTBHSA-N 455.511 2.079 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992214 MBUGZQGZYUDIIG-ORAYPTAESA-N 453.411 2.022 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2c[nH]c3cnccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996189 NIDHJBYXTNSONW-IVZQSRNASA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1c[nH]c2nccc-2c1 1808077596 JIDPDJSUICYXKX-HRAATJIYSA-N 458.478 2.349 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2csnn2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808463337 CJNULZWNQAIMEV-IIBYNOLFSA-N 475.534 2.046 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccn(C(F)F)c1=O 1810604050 PBIYSRHZOHHMTL-IFXJQAMLSA-N 485.447 2.078 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1ccc(O)nc1 1811462747 HMORALIAJGCFHT-UUOWRZLLSA-N 484.516 2.295 10 20 JECD Cc1ocnc1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362030 PFTWSXDWPQHHLV-CYBMUJFWSA-N 464.507 2.458 10 20 JECD Cc1nccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)n1 1817749716 ULTNYMCYYPQGQV-MXPWBENCSA-N 467.507 2.298 10 20 JECD Cn1cnc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)c1 1818146410 HEKZDGOHVIHJQL-LJQANCHMSA-N 460.498 2.242 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCOC2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147629 AVRYWNWQFKNFPO-HNAYVOBHSA-N 450.499 2.231 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2)c1cc[n+]([O-])cc1 1821053761 YKNKYQCBOVHRQQ-GFCCVEGCSA-N 460.899 2.381 10 20 JECD O=C(CN1CCSCC1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714670 HAYCDJZWHJFEKF-HSZRJFAPSA-N 497.665 2.448 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ncccn23)CC1 1828248634 GVLADJSGOXKSTO-KRWDZBQOSA-N 450.499 2.083 10 20 JECD Cc1ccc(C(=O)NCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)cc1 1832912168 OGCAKTWTHWQPRP-NRFANRHFSA-N 480.565 2.465 10 20 JECD CCc1ncsc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1838838161 IEKWYSSJSQWSAF-OAQYLSRUSA-N 481.958 2.154 10 20 JECD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1C 1838945806 XOFXSBBFPPSMTA-WHVGEVHXSA-N 482.533 2.204 10 20 JECD Cc1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433437 HOIMZGKRXYOIFV-HSZRJFAPSA-N 460.914 2.443 10 20 JECD COC(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c([N+](=O)[O-])c1 1845537225 WCYOBNORLOJSEZ-VMPITWQZSA-N 497.460 2.029 10 20 JECD Cc1cc(C)c(OCC(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)c(C)c1 1847056525 IQKTYGUFEXSTMW-UHFFFAOYSA-N 461.609 2.054 10 20 JECD O=C(CN(CCO)c1ccccc1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 748546983 LCORSNBNUGMXLW-DEDYPNTBSA-N 485.587 2.232 10 20 JECD Cc1cccc(C(=O)OCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1N 899170225 QQLULIJBDSWVLJ-ZDLGFXPLSA-N 499.570 2.480 10 20 JECD C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 916967984 KCJBTYWFNBRYSR-QGZVFWFLSA-N 463.575 2.375 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3S(=O)(=O)N3CCOCC3)cc2F)C[C@H](C)O1 917715340 PEZBDERUEVMQPW-ROUUACIJSA-N 491.585 2.390 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@H](C)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 917938842 KWDCFTNADWJVAQ-SFHVURJKSA-N 463.575 2.325 10 20 JECD CSc1nnnn1-c1cccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 918035250 GDVAUZFINISUAK-INIZCTEOSA-N 466.571 2.408 10 20 JECD CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 918200268 CNFAOOQQOSYBJA-UHFFFAOYSA-N 478.590 2.490 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccc(F)c(S(=O)(=O)N(CC)CC)c3)nc12 918845028 NOKYIAZDTGLGBE-UHFFFAOYSA-N 494.501 2.138 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(CNC(N)=O)cc3)cc2F)C[C@@H](C)O1 918985117 VLIPSIMGGLZQQG-IYBDPMFKSA-N 472.517 2.081 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 919766836 ZLJRAACGGZYPDT-UHFFFAOYSA-N 461.559 2.379 10 20 JECD Cn1ncc2c(O)nc(COC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)nc21 920496760 DVKDMUOSWQXVJZ-UHFFFAOYSA-N 459.374 2.110 10 20 JECD C[C@H](OC(=O)CN(C)C(=O)[C@H](C)n1cccn1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 920543563 RDWORLIFKKHHNB-HOTGVXAUSA-N 488.500 2.248 10 20 JECD COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1 921019208 FUMVLRIWLRPNGP-BJMVGYQFSA-N 470.525 2.062 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3nnc(-c4ccccc4)o3)C2)C1 1779116777 ZJNCHDKXVIJAGT-CFSVISAESA-N 492.488 2.010 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@@H]1CCCS1 1782754628 FIJFCVBDWZKSBC-DCLXLUIPSA-N 470.595 2.189 10 20 JECD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1784220830 HBMBTZLYBHLRES-DUEWSLBDSA-N 499.476 2.011 10 20 JECD Cc1cc(F)ccc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1785254157 JLXJONKVAYADQW-MLENBVEFSA-N 456.470 2.408 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)c1ccco1)CCO2 1785510401 YOVZZKCPQZKEQD-KOXUSJRISA-N 464.421 2.032 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cnc2ccccc2n1 1787801542 RBWLIXSHRQLXOM-OAXSLICUSA-N 490.516 2.053 10 20 JECD Cc1nnc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)s1 1790243236 XWCSGDHSADRIIV-JDFRZJQESA-N 480.974 2.137 10 20 JECD CC(=O)N[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1791289732 USHPKXGILSWBCV-INIZCTEOSA-N 461.522 2.438 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC4(CCC4)C3)C[C@@H]21 1792221397 VXFMCQKYWVDMTM-ZEJAEISRSA-N 456.539 2.377 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ncn(-c2ccccc2)n1 1796934383 KEILMJFXTPTIQD-ZHPFXUNLSA-N 483.532 2.312 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(O)nn2)C3)cc1 1799620595 WAZGQONGBPIKRW-BBIADKPPSA-N 461.522 2.107 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cc(F)ccn1)C2)c1cc(O)c(O)c(Cl)c1 1799767272 IXZDORPZTUQONI-VTEUUUEMSA-N 463.893 2.121 10 20 JECD COc1ccc(F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799770497 YTFWYTUYKDBTOE-DBWKPXFBSA-N 464.877 2.416 10 20 JECD COc1cc(Cl)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1801809329 VWNVNZYWIVOAMW-GPVSGQMNSA-N 496.951 2.345 10 20 JECD CC(C)(C)OC(=O)NC12CC(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(O)nc(O)c3)C4)(C1)C2 1801871021 TXKQRJRMACCUQG-VHADKKONSA-N 472.542 2.192 10 20 JECD CN1CCCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1803162086 MFQKCYIKMMWZBE-XRODADMRSA-N 488.592 2.365 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)[C@H]1CC(c2ccccc2)=NO1 1803470580 QRNNTZFCNAXKQO-SNYIIPAISA-N 487.516 2.401 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1807999761 FVERAVRCLPPMPB-JPYJTQIMSA-N 475.505 2.480 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cc[nH]c2nccc1-2 1808075572 WGQXXKLRWWYALO-FOIQADDNSA-N 494.602 2.089 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)on1 1808467966 LLNAWPQDLGRWOX-MBSDFSHPSA-N 472.505 2.491 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCO2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468937 GWASKFZCHJKLEJ-HARLFGEKSA-N 461.522 2.059 10 20 JECD Cn1c(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)cccc1=O 1811797468 GIATUTOJZLUYJC-BTYIYWSLSA-N 482.924 2.478 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccc2nccn12 1812173997 BCKHKUBFPOXGIG-AOMKIAJQSA-N 458.478 2.169 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cccnn2)[C@@H]1c1cccnc1 1814163498 FARMGSDHIXTYCI-QSUDOZCYSA-N 461.478 2.021 10 20 JECD Cc1occc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814186820 XWRYUOJVESNWNA-KXBFYZLASA-N 458.565 2.163 10 20 JECD O=C(Cc1cccnc1Cl)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816721276 IOLPGVURGIPQBG-LBPRGKRZSA-N 459.915 2.466 10 20 JECD Cc1cc(C)n2ncc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)c2n1 1816726236 TYVIOBCJHFZUCP-CYBMUJFWSA-N 479.522 2.148 10 20 JECD Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cn1C 1818303392 CRLGATLYGMVVCS-HNNXBMFYSA-N 460.585 2.223 10 20 JECD O=C(COc1ccc(O)nn1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1821667443 HGLDFKNJHWQJKM-AWEZNQCLSA-N 488.888 2.355 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)CN2CCSCC2)CC1 1823725755 PUWHSDFDPOMKHV-ZEZYUPADSA-N 489.638 2.485 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cn3ccsc3n2)CC1 1828666715 PDISGGHIXHWERP-INIZCTEOSA-N 491.664 2.489 10 20 JECD CC(C)(C)n1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)nn1 1829790643 IMKOZTTXFJJAIE-KRWDZBQOSA-N 492.671 2.127 10 20 JECD CC(F)(F)C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1834639124 CFNKGKDOFHCENN-UHFFFAOYSA-N 461.513 2.006 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cnccc3F)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132703 GCIYSQOOXOFSCC-UHFFFAOYSA-N 492.555 2.199 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)[C@@H]1CCCO1 1836547222 RIWUGIVBRNMNEC-IBGZPJMESA-N 451.951 2.115 10 20 JECD COc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c(O)c1 1838030318 NAHBNJLJMQETKK-UHFFFAOYSA-N 471.510 2.133 10 20 JECD O=C(c1ccc(-c2ccc(O)nn2)cc1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442168 BLVWMDOETUDFNF-UHFFFAOYSA-N 496.527 2.459 10 20 JECD Cc1cccc(C)c1SCC(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1844375978 VCPYFAMOSBNLCV-UHFFFAOYSA-N 463.650 2.459 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnco1 1847924853 HICMELYDHLOZNQ-QYZOEREBSA-N 469.542 2.208 10 20 JECD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc1 302530580 GFZBOFZWWXUSTK-FQEVSTJZSA-N 450.539 2.354 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(NC(=O)[C@@H](C)n4cncn4)cc3)CC2)cc1 726726238 QFGCIBWZXGDQOW-QGZVFWFLSA-N 491.552 2.210 10 20 JECD COC(=O)Cc1sc(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)nc1-c1ccccc1 727249808 IJORWNKSXUICAI-UHFFFAOYSA-N 456.509 2.302 10 20 JECD Cc1c(NNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cccc1[N+](=O)[O-] 727981429 MLHAMAQKKWCZKR-UHFFFAOYSA-N 451.530 2.238 10 20 JECD COc1c(F)cc(Br)cc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)O)c1 730767291 MBQHGYZPQFAOPT-UHFFFAOYSA-N 497.320 2.467 10 20 JECD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C(=O)NCc1ccccc1O 748484935 AFLNTYOMUQZXHJ-UHFFFAOYSA-N 461.540 2.220 10 20 JECD CC[C@@H]1CO[C@H](C)CN1CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 777653065 QTQXMVGVDLKQCM-WUIYKIHHSA-N 477.608 2.232 10 20 JECD CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1 906485208 CWQRNMZZJWFXNB-UHFFFAOYSA-N 486.622 2.217 10 20 JECD CCNC(=O)NC(=O)COC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 913363991 VCOGKQLSZQHEMA-GHXNOFRVSA-N 486.369 2.039 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(C)n1-c1ccc2c(c1)CCC2 914658118 ZETUZKKTIVHKCC-RBBKRZOGSA-N 498.601 2.344 10 20 JECD C[C@H](OC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 915463021 ORTCOTXOKVPJHZ-LBPRGKRZSA-N 496.472 2.433 10 20 JECD O=C(NCCNC(=O)c1cccnc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916443485 IRLOIAXODHOWJD-UHFFFAOYSA-N 451.449 2.166 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(Cc4ccccn4)CC3)cc2F)C[C@@H](C)O1 917023098 WYTKUFALIMQGRM-BGYRXZFFSA-N 455.578 2.268 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cc3cnn(-c4ccccc4)n3)cc2F)C[C@@H](C)O1 919337003 JJMOQBNWDKTBBT-HDICACEKSA-N 481.528 2.422 10 20 JECD CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 919767030 KVZOUWWHVXVVPP-UHFFFAOYSA-N 473.595 2.443 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(F)n1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127309 DYFKIDDMQYCFQF-CJFMBICVSA-N 479.512 2.141 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)CCCCn3cccc3)C2)C1 1779195506 DIVFZUAQHFITTE-CFSVISAESA-N 469.538 2.319 10 20 JECD CC(C)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)C(C)C 1782001989 PCJUHHHCNNTEKO-AVRDEDQJSA-N 453.967 2.217 10 20 JECD CC1=C(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)CCO1 1783222142 JHFINQYIEBZHAL-XHDSPZKDSA-N 458.511 2.025 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1c(F)ccnc1Cl)CCO2 1785508878 NOUWHQAPMKJJKV-WYAMSBGYSA-N 477.876 2.148 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)C1(c3ccccc3)CCCC1)CCO2 1785539011 DGTFPEYUXYUSEQ-QHCPKHFHSA-N 487.647 2.189 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)n[nH]4)C[C@@H]32)cc1 1790126205 CRBCTELMHANQEW-VCOUNFBDSA-N 463.538 2.430 10 20 JECD COC(=O)[C@H]1CCC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)C1 1790246060 IJJIUJKPTAEHKA-LTOAOAETSA-N 494.972 2.324 10 20 JECD CC(C)c1csc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)n1 1794549928 OHYRQYRPIGAYGA-CLLJXQQHSA-N 452.627 2.379 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc2n[nH]cc2c1 1796150797 JLHDMAMUZYYUFP-CCWDJLKJSA-N 456.886 2.145 10 20 JECD Cc1cccc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]c12 1799767927 BJVROUXCCPAHHP-HBCWATKFSA-N 470.913 2.453 10 20 JECD CCC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1801624654 KKDSRVFWRWQAFQ-MHORFTMASA-N 489.569 2.151 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1804066497 YTKBJMMYKLFLIQ-GGPHIMKMSA-N 483.569 2.332 10 20 JECD CCn1nc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1C 1807994589 IWDYEXKTUKZXCU-IIBYNOLFSA-N 450.499 2.046 10 20 JECD Nc1nc(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)cs1 1809864884 SHHQGGBUMOZXQK-HWKANZROSA-N 458.540 2.400 10 20 JECD O=C(C[C@@H]1CNc2ccccc2O1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810209000 COWAUOCLWPODLS-IZJXBPLLSA-N 489.532 2.471 10 20 JECD CCCNC(=O)CCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162765 XIMDYDNDMPMCJJ-OLCGYDSQSA-N 496.564 2.224 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cccs2)[C@H]1c1cccnc1 1814186693 VYFHCQRCKKBMCE-KSSFIOAISA-N 460.606 2.323 10 20 JECD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)[S@](=O)c1ccccc1 1816728986 OVDFPQMILIUIFT-YHPCLAIQSA-N 486.575 2.371 10 20 JECD COc1cccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)n1 1817843461 PFCOPUAMDMXBFW-INIZCTEOSA-N 452.471 2.168 10 20 JECD COc1nccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)c1F 1817845028 UZTRMAZBOWHKCC-AWEZNQCLSA-N 456.434 2.378 10 20 JECD CC(C)N[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)C(C)C 1823497932 IUKWUHMINBJESE-HNAYVOBHSA-N 480.660 2.285 10 20 JECD CCc1noc(C)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823499899 DNAHUNWRROMCEH-CQSZACIVSA-N 476.584 2.435 10 20 JECD C[C@H](Cc1ccncc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1824518410 CQAULDAAJWPFEJ-DOMZBBRYSA-N 453.524 2.449 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3nncn3c1)CC2 1828198421 CKBNVCGVZNQGGQ-VSZOKUSCSA-N 492.517 2.242 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1ccoc1)CC2 1828250613 XGNUGGCIRYGAKM-LBPRGKRZSA-N 464.594 2.141 10 20 JECD CN1CCN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1828444502 RWQFAPMJABZICL-FQEVSTJZSA-N 479.021 2.232 10 20 JECD COC(=O)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830741588 XGRZYLDHVQOAPP-INIZCTEOSA-N 453.923 2.341 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cccn3nccc23)CC1 1830918565 YGNDMUFCSZKSPX-GOSISDBHSA-N 485.635 2.428 10 20 JECD Cc1ccncc1C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835132731 ICOFJLCRONSVHU-UHFFFAOYSA-N 488.592 2.368 10 20 JECD Cc1cccc(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)n1 1836763442 FFYQOPGLADKNCF-UHFFFAOYSA-N 454.527 2.051 10 20 JECD C[C@@H]1CCc2c(C(=O)N3CCC(OC4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)n[nH]c21 1838031496 IPICLHKFCHFSSH-CQSZACIVSA-N 469.542 2.192 10 20 JECD Cc1c(F)ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1N 1839433863 DOZWKCNSXOBVKR-HSZRJFAPSA-N 493.919 2.165 10 20 JECD COc1ncccc1CCC(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1842048949 BDMBKLWIFBUZMX-RMKNXTFCSA-N 453.495 2.056 10 20 JECD COc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)cc1OCC1CC1 1845449537 GGBJHFJWQJFREA-UHFFFAOYSA-N 453.495 2.421 10 20 JECD Cc1cc(O)c(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)cc1Br 1845483166 DXYDEHPCOOIHQD-UHFFFAOYSA-N 498.424 2.140 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccc(OCC3CC3)cc2)C1 1846863470 NBHQLQWLNFHHLM-UHFFFAOYSA-N 459.593 2.153 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 15482148 JGXGREBCTLZVGE-UHFFFAOYSA-N 470.639 2.206 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 729498426 LOMPHRNOAIFUAH-HXUWFJFHSA-N 476.574 2.315 10 20 JECD CC(C)COC(=O)N1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 749253361 FRBFDTPFBGCMFN-RTBURBONSA-N 464.582 2.466 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCc3cccc(NS(C)(=O)=O)c3)CC2)cc1 916197109 TZNVJHRMCXSFDS-UHFFFAOYSA-N 475.615 2.078 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4F)C3)cc2)C1 917834639 LYMJTKCRIZJPSG-SJORKVTESA-N 456.493 2.336 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(NC(=O)c2cccnc2)c1 918337048 CKAFOLNOFYDXJC-UHFFFAOYSA-N 464.547 2.499 10 20 JECD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCNC(=O)c1cnccn1 1123815879 RMNRPCSBPYHCPB-PTNGSMBKSA-N 461.594 2.066 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1780388381 XKRWHMYWAHRRPE-QHCPKHFHSA-N 483.912 2.089 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3ccc(F)c(F)c3)C2)C1 1780831291 MYTAPTHATVCRBP-DEOSSOPVSA-N 468.460 2.201 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1781774798 NZERNIFLRPEEKZ-BVBLWJPBSA-N 487.440 2.008 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(Cl)nc1)C2 1783218242 FRULQNABTPJKDP-FKSJFJBLSA-N 488.928 2.088 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790243224 WSPCHGXTCLUWMK-ATZCPQFDSA-N 497.976 2.258 10 20 JECD CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1794137486 KAKWGBHIRYVZGK-QRIFCXAISA-N 472.542 2.214 10 20 JECD COc1cccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)n1 1796932497 FHARGWREZRMFCS-FNLKRUPLSA-N 461.522 2.064 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)[C@H]1CCc2ccoc2C1 1803284796 LPQMWEHEFNCCSK-ZJBJCVSYSA-N 498.630 2.346 10 20 JECD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)nn1C 1803290323 BLTISINGZSFACK-OLCGYDSQSA-N 491.548 2.202 10 20 JECD CCC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1803434600 NPOSAPHWHOSXKE-WAWZGNHOSA-N 474.945 2.381 10 20 JECD Cc1nc(F)ccc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807996086 XRSALJFPROKUQZ-QVKFZJNVSA-N 451.458 2.364 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2(Br)CC2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999189 ILOMKGRMSJNMQD-DYVFJYSZSA-N 461.316 2.135 10 20 JECD COC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808464470 MDBCGHWZNHWFHH-GCJKJVERSA-N 463.538 2.305 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1snnc1C1CC1 1808852924 BMPUGKGNDUCHKX-AUUYWEPGSA-N 466.523 2.250 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811796034 BHYPXMJLDQHXBW-BPAFIMBUSA-N 474.945 2.381 10 20 JECD C[C@H](Cc1ccncc1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812336045 DRARSRUZRRSHLI-ZDWFVDTJSA-N 461.522 2.481 10 20 JECD COCCCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814161906 MXCKCWMAMNHVOH-SXVOPIBFSA-N 455.511 2.344 10 20 JECD O=C(Cc1ccc(O)cn1)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367292 WRFOJVLRQDPFGK-OAHLLOKOSA-N 490.545 2.191 10 20 JECD Cc1c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)nc2ccccn12 1818105399 OKLQRIKERRANLO-ZDUSSCGKSA-N 464.507 2.445 10 20 JECD Cn1ncc2c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CN4C(=O)CSC4=S)[nH]n3)cccc21 1818767918 FVYHVJZAYBSOHT-KRWDZBQOSA-N 497.606 2.463 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1822573029 OBQMNVSHPDRLLU-TZMCWYRMSA-N 489.554 2.185 10 20 JECD Cc1cnn([C@@H](C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c1 1822751266 KNKAQLHLXVRRAL-DZGCQCFKSA-N 475.600 2.028 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)CC[C@@H]2CCOC2)[nH]n1 1823501457 QUDGLLUNTJUQMF-UKRRQHHQSA-N 465.601 2.079 10 20 JECD Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)no1 1828200810 RTXHMZNRZGALBU-MXPWBENCSA-N 470.507 2.424 10 20 JECD O=C(CSc1nc[nH]n1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832882203 CITJEHXXYSEDNH-QQOXCAACSA-N 487.582 2.347 10 20 JECD CO[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccccc1 1837683068 ROUSRQZSPAWISK-HSZRJFAPSA-N 469.538 2.493 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)s3)C2)C1 1839433787 UMKNOOQVPIAHBL-IBGZPJMESA-N 488.349 2.245 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)[C@@H]2CCc3ccccc3[C@@H]2O)C1 1841391781 HHULHRPPYKSUKJ-CDDWAKIKSA-N 464.518 2.316 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2ccc(O)cn2)C1 1842572729 HQKZTMSWEZIAIE-OAQYLSRUSA-N 495.580 2.322 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccc(Cl)nc2Cl)C1 1844423603 UMTVPLSUDGRIRW-UHFFFAOYSA-N 459.380 2.066 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2ccc3sccc3c2=O)=NN1c1ccccc1 1848181662 XATOPWKAMUPRJS-PMACEKPBSA-N 489.557 2.058 10 20 JECD CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 727601703 UPQRCZMTBKDCOH-OAHLLOKOSA-N 450.536 2.131 10 20 JECD CNC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1 728678249 HDWYZQWAUWPIIC-ZDUSSCGKSA-N 457.442 2.401 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)C3(C(=O)NC4CC4)CCC3)cc2F)C[C@@H](C)O1 729737187 OYGXDYOIRGUPQA-HZPDHXFCSA-N 461.534 2.048 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)c1ccc(N2CCOCC2)cc1 749033349 OGYRGBIKAITDTJ-LJQANCHMSA-N 496.633 2.457 10 20 JECD C[C@@H](OC(=O)CNS(=O)(=O)c1cccs1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 914771484 SVURXMIWJDKZFW-CYBMUJFWSA-N 498.538 2.372 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(C(=O)c4ccco4)CC3)cc2F)C[C@@H](C)O1 916978713 SALKKNYFQUYSBX-QZTJIDSGSA-N 458.534 2.107 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 917707858 AAXRADDWIICGLH-UHFFFAOYSA-N 496.992 2.428 10 20 JECD CS(=O)(=O)c1ccccc1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919699530 QCRPICWOPKWRNJ-UHFFFAOYSA-N 469.542 2.276 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3cc(OC)c(OC)cc3C(=O)N(C)C)CC2)cc1 920255250 CUHVRRUWAJPOHA-KHPPLWFESA-N 496.564 2.258 10 20 JECD C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccc(N2CCOCC2)cc1 920888743 ZNPITFMVGMFFFH-XMSQKQJNSA-N 473.595 2.472 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1nc(-c2ccccc2)ns1 1777710119 NFQXXZOAKKOAGO-MZNJEOGPSA-N 495.561 2.453 10 20 JECD C[Si](C)(C)c1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)co1 1777850859 KPEQUFSGFQMWCC-UZUQRXQVSA-N 473.602 2.072 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cn1C 1778127831 MZLNGBYRSNGMQD-ATIYNZHBSA-N 477.565 2.254 10 20 JECD COc1c(Cl)ccnc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1780330092 JCIIGRVTMLYNSW-OJZQOFKYSA-N 489.912 2.017 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1781374767 FYWRIUONLAQDSZ-BCHFMIIMSA-N 476.533 2.077 10 20 JECD COc1ncccc1CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003230 GQLFWVQLWFZDQQ-HSZRJFAPSA-N 475.929 2.231 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1782005417 DUCHRPULFTVGLZ-HXUWFJFHSA-N 462.915 2.218 10 20 JECD Cc1nccn1[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783222758 KOHOOMJUAQWVSZ-VXPSPWCDSA-N 484.553 2.097 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@]1(F)CCCC=C1F)C2 1783246622 BIMQLNUVLOBRHR-LPTQZCDUSA-N 487.594 2.106 10 20 JECD O=C(/C=C/c1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1786569643 PFWWCVNILGKBQL-SFJLQMFISA-N 472.545 2.472 10 20 JECD CCOc1ccccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1789476660 BKKZSLAHJXEEIN-XZOYJPPVSA-N 490.560 2.472 10 20 JECD N[C@@H](Cc1cscn1)C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792313821 KBOPWQALAJZVPQ-INIZCTEOSA-N 489.648 2.007 10 20 JECD O=C(Cc1ccc(Cl)s1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1793904233 KLMGTDMCWJEIPZ-YEZVWNJWSA-N 486.981 2.327 10 20 JECD COc1c(C)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc1C 1796481285 XKRZQFOECAGBPE-IRJINJETSA-N 490.560 2.308 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1cccc(OCC(F)(F)F)n1 1796598816 KUSUZPQBDMELAF-BTTYYORXSA-N 466.416 2.395 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc2cc[nH]c2c1 1796817948 XFWPMFBRCULVBL-OFZGJKQNSA-N 463.490 2.201 10 20 JECD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796935084 UNJPXOYENSJCQH-RSRIQPTJSA-N 478.549 2.173 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(c2ccccc2)=NN1 1801215300 DMIOLPCYIXLUGH-DQKVDQNHSA-N 476.533 2.221 10 20 JECD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc(OC)c1C 1804340506 SHQLLBJEFYTUQU-MUJYYYPQSA-N 477.608 2.124 10 20 JECD COc1ncc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1C 1807990178 FYTCBQCLJNAXOH-IERDGZPVSA-N 463.494 2.233 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1noc2c1CCCC2 1808031238 OBTQEZCBODFLEV-BTYIYWSLSA-N 499.618 2.128 10 20 JECD CC(=O)N[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1)c1ccc(F)cc1 1810546943 MZHFYVMXESQSJZ-QFIPXVFZSA-N 484.528 2.354 10 20 JECD CN(C)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1811832934 DQGOHISGSMTWIC-PGRDOPGGSA-N 497.646 2.328 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@@H](O)c2ccco2)[C@@H]1c1cccnc1 1814162932 ZFNBIGOHMCLUSP-HDTQHYAYSA-N 479.489 2.244 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)c1cccc(=O)n1O 1816148407 OOCDHDQFQCQCDY-CQSZACIVSA-N 473.873 2.493 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)CC1 1816720530 XGCWDYRYISUTFD-OBJOEFQTSA-N 474.539 2.155 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722744 WJYRFSGOSMTUKW-DGCLKSJQSA-N 454.512 2.071 10 20 JECD CC[C@H](C)[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817363709 LYXHNFNLGHZKNP-YRVVQQKDSA-N 469.567 2.255 10 20 JECD CC(C)n1nc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cc1C(=O)O 1817844116 QLPMSMNDRTXNKR-OAHLLOKOSA-N 483.485 2.311 10 20 JECD N[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)c1cccnc1 1817844745 JFGSCUVDYADRJG-WBVHZDCISA-N 451.487 2.007 10 20 JECD C[C@H](Cn1cncn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146743 AUBBWSXTSNJFJT-OXQOHEQNSA-N 489.540 2.123 10 20 JECD N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823711115 VPVJUDLYWMNXDB-HIFRSBDPSA-N 487.969 2.399 10 20 JECD CN1C(=O)CC[C@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717709 TXUSYBQNIZJFMI-YADHBBJMSA-N 479.581 2.020 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)no2)CC1 1829363589 ZSTRAPXPNZTMRD-LJQANCHMSA-N 465.510 2.406 10 20 JECD Cc1oc(C(C)(C)C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1834200137 KDTPZPYXMDJBLS-DEOSSOPVSA-N 473.526 2.076 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)cco2)C1 1842579085 MPPQCIIVZCUIEI-HXUWFJFHSA-N 496.564 2.175 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)ccc1F 1847383267 SZPBQJPMUKPBLM-KBPBESRZSA-N 486.388 2.264 10 20 JECD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O 729064030 OBCHUTWZANVUAU-HNNXBMFYSA-N 475.567 2.198 10 20 JECD CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(C(=O)O)c2)cc1Cl 729665286 HLDRPDYYOVBOSU-UHFFFAOYSA-N 479.895 2.308 10 20 JECD Cc1nc(COc2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)no1 731127858 MVPWRFVLXBMUQE-UHFFFAOYSA-N 451.483 2.049 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(NC(=O)C4CC4)nc3)cc2F)C[C@H](C)O1 731406529 NNASBSDWQALAKY-GJZGRUSLSA-N 469.517 2.438 10 20 JECD Cc1noc(C)c1S(=O)(=O)N1CCCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CC1 754775024 CILDMTIJXFRBBA-ALCCZGGFSA-N 450.473 2.198 10 20 JECD C[C@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)NC[C@H]1CCCO1 789056119 WKKWWRQNJNFHJJ-QWHCGFSZSA-N 452.419 2.211 10 20 JECD COc1cccc(C[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n2nnnc2C)c1 915699488 JEDNLDOVOBNHNX-HSZRJFAPSA-N 450.543 2.269 10 20 JECD COCC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 916404852 FOWIPCCLBCXHNM-NTCAYCPXSA-N 453.611 2.047 10 20 JECD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)c3ccc(O)c(O)c3)CC2)cc1 916611653 YKMXDJWYQZKKKO-UHFFFAOYSA-N 463.508 2.323 10 20 JECD O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)NCc1ccc(N2CCOCC2)c(F)c1 917195980 SKCQJRNBOLERLH-UHFFFAOYSA-N 494.614 2.250 10 20 JECD Cn1cc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cn1 917728200 NXAXPMXFYRABKM-UHFFFAOYSA-N 464.525 2.183 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC(CC(=O)N4CCCC4)CC3)cc2)C1 918123000 PLRPADJNFVRTPB-NRFANRHFSA-N 455.603 2.322 10 20 JECD O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)NCc1ccc(N2CCOCC2)c(F)c1 918201761 MMZVYVXLYQZQSH-UHFFFAOYSA-N 456.518 2.134 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 918633867 PQUBOJAVXYYIOE-TZIWHRDSSA-N 461.534 2.261 10 20 JECD C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919698094 SDYMBPWULZVGRH-GOSISDBHSA-N 462.529 2.377 10 20 JECD C[C@H]1CN(CCCNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C[C@H](C)O1 919783879 WWFAHGBUOWMJMN-PMACEKPBSA-N 485.608 2.241 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)C1 1778123878 HNFOOOGUFGOEKJ-QHCPKHFHSA-N 495.960 2.062 10 20 JECD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)N1CSCSC1 1779144332 CGXSQXHVHMGDOJ-XCLFUZPHSA-N 488.031 2.238 10 20 JECD CSc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1O 1780154542 KEQYWYRMFMXVDY-HLZSCNFSSA-N 486.546 2.388 10 20 JECD O=C1Nc2ccccc2/C1=C/C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782006952 BZZZRVBQUDSPHH-NSXGMPHASA-N 483.908 2.230 10 20 JECD Cc1cccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c1 1783245454 WQDFRZVRPJYTHR-NTKDMRAZSA-N 489.663 2.302 10 20 JECD Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785509118 NOVMSNBWGWKRIB-PMDNVAFQSA-N 468.506 2.034 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[nH]c4nccc3-4)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243441 NKCYVIFQQCYLQP-UVIMBBFXSA-N 470.913 2.486 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1793868569 URPQNKBYEIHLNA-KRQVXIAISA-N 495.580 2.427 10 20 JECD COc1ccc(-c2ncccc2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)cc1 1796047360 OTCYFPBCYWMZJU-FEJSZKPUSA-N 490.516 2.080 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(F)F)cc1Cl)C2)c1cc(O)nc(O)c1 1796139862 UBUUIWJKEVIBDJ-KSPBDQMDSA-N 483.855 2.265 10 20 JECD COc1cc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(C)c1 1799723874 WDEMOJNAHNSODV-PGTXOHQNSA-N 482.533 2.345 10 20 JECD COc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c1OC 1799768319 RQFSEJOKSKEIAR-DBWKPXFBSA-N 494.903 2.425 10 20 JECD Cn1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(C(F)(F)F)n1 1807994843 KMLAEWOAZKECMJ-FZKQIMNGSA-N 490.442 2.274 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n[nH]1 1811470395 QEHZNJJNYRDZLT-MBSDFSHPSA-N 471.521 2.226 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CN2CCCC2)[C@H]1c1cccnc1 1814161484 HETZKFKHQROCEY-SCOJYPESSA-N 466.538 2.013 10 20 JECD CN1N=C(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CCC1=O 1815626016 VATMVQVAEWPRCU-OAHLLOKOSA-N 474.905 2.388 10 20 JECD Cc1nc2ccccn2c1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816724717 CKMQSJPMZIJCRP-ZDUSSCGKSA-N 464.507 2.445 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(-n3ccnc3)ccn1)CC2)c1cc(O)nc(O)c1 1816727316 NOZRHISLRHOXIO-ZDUSSCGKSA-N 477.506 2.070 10 20 JECD COCCn1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)n1 1818262578 ZODHDEINRDBIHG-IWHGQQBYSA-N 496.524 2.389 10 20 JECD CSc1ncccc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1820986192 YHIGUXIYMSPXMY-SNVBAGLBSA-N 493.661 2.346 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)C2=CCCS2)CC1 1824571668 XBOUVAHCPUKHEP-OAHLLOKOSA-N 453.655 2.487 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnsn1)CC2 1828195876 YCQDVZNLORHSLW-LFKJVQOCSA-N 459.509 2.051 10 20 JECD CC(C)(C)n1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)n1 1828240143 NZMKFMSIBRNMRG-LLVKDONJSA-N 492.652 2.181 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(F)(F)F)CC2 1828242162 AVNCTQHJWIHZFS-QMMMGPOBSA-N 466.532 2.258 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@]2(C1)CN(C(=O)C1(F)CC1)CCN2C(=O)OCc1ccccc1 1829251242 BUBJDQIZCGOFEI-DEOSSOPVSA-N 498.511 2.061 10 20 JECD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)N1C[C@H]2C[C@@H]2C1 1835672267 CWFXPMPZSFCJCH-KBAYOESNSA-N 491.032 2.277 10 20 JECD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1cccs1 1840881899 UWUYFBUEHOWXIE-WPBXQCFXSA-N 488.562 2.138 10 20 JECD O=C(c1ccn(-c2ccccc2)n1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442404 ICBNVGVRJUCTCU-UHFFFAOYSA-N 468.517 2.482 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cccnc2-c2ccccc2)C1 1843499064 AIJZFTSCKAIOKS-UHFFFAOYSA-N 466.588 2.426 10 20 JECD COc1ccc(COCC(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1846453906 RJYMBCIVTMMXBD-UXBLZVDNSA-N 468.506 2.245 10 20 JECD Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)c2C)c1 16162565 FCCIJDODEVXNCQ-UHFFFAOYSA-N 491.548 2.274 10 20 JECD Cc1ccc(CC(=O)N2CCN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)cc1 726102093 IBAIXFGHQPFTHD-HSZRJFAPSA-N 477.609 2.293 10 20 JECD O=C(Nc1ccc(C(=O)NS(=O)(=O)c2c(Cl)nc3ccccn23)cc1)C1=S=CC=C1 746450760 RKIOHSJLSNDCHE-UHFFFAOYSA-N 460.924 2.323 10 20 JECD CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 916631963 PCXSPVYWIGMJDN-QGZVFWFLSA-N 485.551 2.284 10 20 JECD CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916632519 XCTJOSADUDVFAB-KRWDZBQOSA-N 478.537 2.155 10 20 JECD COc1ccc(N2CCCN(Cn3nc(CCC(N)=O)n(C[C@H]4CCCO4)c3=S)CC2)cc1 917484386 DLGFJNCSKIFEPA-HXUWFJFHSA-N 474.631 2.189 10 20 JECD CCOC(=O)c1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc([N+](=O)[O-])c1 917834167 XPNVNAFRVMOYRG-INIZCTEOSA-N 454.483 2.403 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)cc2F)C[C@@H](C)O1 917916791 CDXRYFDBFUORME-IYBDPMFKSA-N 497.614 2.359 10 20 JECD C[C@H]1Oc2ccccc2N(CC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1=O 919699355 MALFCPINOHNIER-GOSISDBHSA-N 490.539 2.373 10 20 JECD CC(C)CN1C(=O)/C(=C\Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C(=O)NC1=S 920974224 DLQQLHOGGDZFTN-UVTDQMKNSA-N 471.004 2.320 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2)C1 1317985669 RCJGKMXISPHCDT-LEWJYISDSA-N 463.582 2.020 10 20 JECD Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)o1 1778127544 QLEDQWKURGJMIY-ATIYNZHBSA-N 478.549 2.437 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1cccc2cccnc12 1778464320 SZWCEUQWRRINDH-HOYKHHGWSA-N 498.630 2.223 10 20 JECD C[Si](C)(C)c1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)co1 1779003134 XTQSKOWNNLNUJR-SXBBHYFQSA-N 486.597 2.099 10 20 JECD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)N1C[C@@H]2C[C@H]2C1 1781122145 PSJHRQXEPZFBPB-UZIVIXNWSA-N 477.989 2.219 10 20 JECD O=C(COc1cc(Cl)ccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1788729375 WPNNHITWXZRKPQ-QITLCBANSA-N 496.347 2.472 10 20 JECD COc1c(C)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1C 1799695732 GQTFEDTYCZDMLG-PTFSPBDCSA-N 482.533 2.345 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1F)C2)c1cc(O)c(O)c(Cl)c1 1799770022 AHNQNQUKDHLZHI-VTEUUUEMSA-N 466.868 2.475 10 20 JECD O=C(Cc1cc(F)cc(F)c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804333231 DSDRBLIFVPIKCG-MUJYYYPQSA-N 453.536 2.006 10 20 JECD Cn1cc(CCC(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cn1 1807433724 JNAOGZCPZSLHFM-NWFGWUSPSA-N 491.548 2.284 10 20 JECD CCc1cc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n[nH]1 1807767482 PBCDQIMHCMRFIF-HOYKHHGWSA-N 485.548 2.480 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C(=O)c2ccco2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808465212 RMPFITAUXJDVPJ-JPYJTQIMSA-N 485.500 2.356 10 20 JECD Cc1n[nH]cc1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814163824 NCBBEQDPOCXWBB-UDGCLTLRSA-N 463.494 2.263 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccn2cncc2c1 1819264738 PWAZAILTHWSXNE-ZDUSSCGKSA-N 450.480 2.137 10 20 JECD O=C1CSc2ncc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)cc2N1 1821521663 DOGDLUMMMRPNJW-OAHLLOKOSA-N 495.521 2.275 10 20 JECD CS(=O)(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1822972293 KBDBHQYYYRZMDJ-AWEZNQCLSA-N 470.935 2.215 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)nc2F)CC1 1823639016 LYUWXLKMRPQNRI-HNNXBMFYSA-N 482.578 2.453 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCCCO2)CC1 1823823555 BTTZNKGSZMWZIA-IAGOWNOFSA-N 453.630 2.036 10 20 JECD Cc1cccn2ncc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cc(O)nc(O)c3)CC4)c12 1824340656 ACVNXXNAFUUSTC-CYBMUJFWSA-N 464.507 2.445 10 20 JECD COCCOCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1826626318 VSBPSHARCUXLCN-FNQPIQQGSA-N 462.543 2.099 10 20 JECD O=C(NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)c1cccs1 1827427316 WGWVASQFLWZAMW-KRWDZBQOSA-N 472.567 2.218 10 20 JECD Cn1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c(C(F)F)n1 1827932992 JBRMLHVAYFRBGU-HNNXBMFYSA-N 499.609 2.451 10 20 JECD CSCC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240562 XCQLBZGQBUZREA-JTQLQIEISA-N 472.683 2.305 10 20 JECD COC[C@H](NC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739459 JDCGWHYPHGPXEJ-OALUTQOASA-N 481.977 2.136 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccoc3C1)CCO2 1830938218 WCCCJZPSKWJUOB-UPCLLVRISA-N 490.940 2.219 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cccc4cc[nH]c34)CC2)CC1)c1cc(O)nc(O)c1 1834987061 CBAHFHNCZCULSK-UHFFFAOYSA-N 463.538 2.473 10 20 JECD CC(C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1836755104 MILNVYUTXWIWGP-LJQANCHMSA-N 454.951 2.380 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1836758088 GDGDQTFEUQQXKN-WEBUEUPWSA-N 452.935 2.257 10 20 JECD COCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1839348149 DSWXOTZJAAWFLU-RUZDIDTESA-N 455.555 2.201 10 20 JECD O=C(COc1ccccc1F)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432990 FESGBDRUMQESCF-QHCPKHFHSA-N 494.903 2.039 10 20 JECD CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251368 XWVXKQCPENTJQS-INIZCTEOSA-N 462.547 2.249 10 20 JECD Cc1nc2ccc(F)cn2c1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442727 ZGAGNMHAFAXZKL-UHFFFAOYSA-N 474.496 2.392 10 20 JECD CCOc1c(F)c(F)cc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)c1F 1847054297 FVESNTLZTDKXEF-UHFFFAOYSA-N 487.525 2.180 10 20 JECD Cc1cc(C(=O)CN2CCC(CCN3CCOCC3)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 728918470 YYDGYANLOQXOGR-UHFFFAOYSA-N 488.654 2.359 10 20 JECD CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 744377228 LHBXBTBBFKQVKM-QWHCGFSZSA-N 464.500 2.134 10 20 JECD CC(C)CN1CCO[C@@H](CNC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C1 913640846 TXLXZDKRTTYWJA-SFHVURJKSA-N 492.554 2.188 10 20 JECD C[C@H](OC(=O)[C@@]12CCC(=O)N1CCS2)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 916532056 BHFFEADFDRIBID-RZFZLAGVSA-N 464.499 2.398 10 20 JECD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 918285965 CLLNPLPTPQPDKV-HOTGVXAUSA-N 456.518 2.362 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(CN4CCOC4=O)c3)CC2)cc1 918461463 DIWWKDXQJYPPNB-UHFFFAOYSA-N 452.511 2.325 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CCNC(=O)NC34CC5CC(CC(C5)C3)C4)nc12 918954204 HTIRDDUIOXMFSP-UHFFFAOYSA-N 485.541 2.313 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)nc12 919144987 NXRRLLXFDAAWDY-UHFFFAOYSA-N 452.383 2.063 10 20 JECD CCS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 919651809 PTNUTCGCGWIGIG-OAHLLOKOSA-N 484.530 2.005 10 20 JECD O=C(O)c1cc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)cc2c1OCCO2 919727633 VQIQXKBEKFZRMM-UHFFFAOYSA-N 450.538 2.188 10 20 JECD CC(C)[C@@H](C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)n1nnc(-c2ccccc2)n1 919737482 GHRCPAVWGDGKGT-QHCPKHFHSA-N 496.543 2.373 10 20 JECD COc1cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)ccc1OCC(=O)NC(C)C 919840642 UVOJIZOWAVNSGK-UHFFFAOYSA-N 475.567 2.086 10 20 JECD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919969267 HJZFCGHYZQFMHH-UHFFFAOYSA-N 460.897 2.355 10 20 JECD Cc1ncc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)s1 1778127305 DVRFQFBXUBVFEJ-HYBUGGRVSA-N 481.578 2.372 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1779331361 XCSVKIIMBDCLHH-PEBXRYMYSA-N 460.918 2.090 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccnc(Cl)n1 1779683159 BXIFJICPEOUCQN-FKSJFJBLSA-N 488.928 2.088 10 20 JECD Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)o1 1783222599 CFKGPDQWQFMPFE-SZMMQSAJSA-N 470.522 2.475 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CCCO4)C2)C1 1784956291 GGTYUAVEXKJBHV-MHZLTWQESA-N 488.544 2.248 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)c2c1 1785505059 AGDRXTGIWJWDMV-UGRMLPBFSA-N 493.516 2.450 10 20 JECD CC(C)Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1785544950 FMMVKUDIXLOZOI-QHCPKHFHSA-N 475.636 2.189 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(O)nn4)[C@H]3C2)cc1 1785845270 NCBOKFXKPXFMRK-RRPUWOKSSA-N 475.549 2.497 10 20 JECD CS(=O)(=O)Cc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1787113270 LSKAXCOFLWYGQQ-UHFFFAOYSA-N 496.545 2.494 10 20 JECD Cc1ccc(SCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)cc1 1788097858 NOTZLRXCGLKDDF-SNRMKQJTSA-N 457.552 2.187 10 20 JECD C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1ccccc1 1790927682 NJBVDVZLCSSODV-BVBHFADKSA-N 475.636 2.020 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc(Cl)cc1F 1792649283 KOIHPMHWRUELIM-YEZVWNJWSA-N 484.915 2.475 10 20 JECD Cc1ccc(-c2ncccc2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)cc1 1796138072 MQWVHODPVTUAKD-BBIADKPPSA-N 474.517 2.380 10 20 JECD CNCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796749301 SMEVOMPDRYPYOE-CIAFKFPVSA-N 487.645 2.342 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C[C@@H](F)C1 1797796739 APGDLDXVEFBZIW-RZFLPCETSA-N 492.548 2.340 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccnn12)C1=NN(c2ccccc2)C(=O)C1 1800898048 FHCYYKUGZXATJJ-PDFPEKILSA-N 456.506 2.379 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])o1 1802265330 PQNPROPPLQLHEU-YJYMSZOUSA-N 453.411 2.022 10 20 JECD Cc1cc(CCC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)ccn1 1804302005 RLYPCCDJKPVQID-CVDCTZTESA-N 497.646 2.284 10 20 JECD O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804335873 BBWBONRDXBLZEY-BTTYYORXSA-N 494.620 2.185 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1808331553 PHXBULJQTNJCCL-JPYJTQIMSA-N 489.532 2.463 10 20 JECD Cn1cc(CCC(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cn1 1808467939 JROCJRBRNVAIOW-RLWLMLJZSA-N 499.575 2.247 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccn2cncc12 1810000068 WLESLZJUZOWBJZ-KSFYIVLOSA-N 458.478 2.169 10 20 JECD COc1cccc(CCC(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)n1 1810547638 WNFGSPGBFXSEBW-UHFFFAOYSA-N 454.527 2.374 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810549849 FKWBRHTTXRIPIP-UHFFFAOYSA-N 462.547 2.252 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc(O)cc1F 1811055777 HXCRWDPWBPYQGK-LHSJRXKWSA-N 452.442 2.366 10 20 JECD CCCNC(=O)CCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162764 XIMDYDNDMPMCJJ-MOQNJDDVSA-N 496.564 2.224 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@@H](O)c2ccco2)[C@H]1c1cccnc1 1814162935 ZFNBIGOHMCLUSP-VEEVPJGTSA-N 479.489 2.244 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1COc3ccccc3O1)CC2)c1cc(O)nc(O)c1 1816722368 YYTLIMIPBUQZBK-LRDDRELGSA-N 468.491 2.015 10 20 JECD CC(C)OCC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817363137 GCRWGUDTSINHCQ-CQSZACIVSA-N 455.540 2.273 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)o1 1817846252 MXPFBFRBXTYMKR-AWEZNQCLSA-N 454.443 2.387 10 20 JECD C[C@@H]1CCc2c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cc(O)nc(O)c3)CC4)n[nH]c21 1818335280 WNSUKTQJXPTUDO-KOLCDFICSA-N 454.512 2.262 10 20 JECD CCC[C@@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1823436651 KOKVWPSFNJHRAR-WIYYLYMNSA-N 493.568 2.500 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)CC[C@H]2CCOC2)[nH]n1 1823501453 QUDGLLUNTJUQMF-DZGCQCFKSA-N 465.601 2.079 10 20 JECD Cc1nccn1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1824704378 BNSYFYRFAIQVBC-OAHLLOKOSA-N 477.550 2.053 10 20 JECD Cc1ccn2c(=O)c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)cnc2c1 1827427442 MLCSKSVOELKLEM-FQEVSTJZSA-N 491.548 2.356 10 20 JECD O=C(c1c(O)cc(O)cc1O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427841 JPWMAJWMSBWQHD-MRXNPFEDSA-N 457.483 2.157 10 20 JECD O=C(c1cnn2ccncc12)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427885 VCHVAPSRWFBXEK-GOSISDBHSA-N 450.499 2.083 10 20 JECD O=C(c1ccncc1F)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902432 LXWBQQOKQSIOHI-KRWDZBQOSA-N 464.588 2.314 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccccc3)CC2)CC1)c1cc(O)nc(O)c1 1834988247 VRMQNMJTIKSEGR-VOTSOKGWSA-N 450.539 2.391 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)c1ccco1)CCO2 1839691278 JIPPQILLSKRZGK-HXUWFJFHSA-N 486.855 2.206 10 20 JECD Cc1ccccc1CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881217 IYROOTCOBUXUPC-HSDHKRTLSA-N 496.560 2.214 10 20 JECD Cc1ccc2c(/C=C/C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(O)nc(O)c5)C4)C3)c[nH]c2c1 1840935861 ALSFUSSMUGMBCO-MLQZBXHFSA-N 492.532 2.066 10 20 JECD COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1844386663 SJUALZJYTVRQNH-JOCHJYFZSA-N 452.555 2.062 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)C2CCN(c3ccccn3)CC2)C1 1845032942 IKZYZRQNYPAGLH-SOFGYWHQSA-N 478.549 2.332 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cc(F)ccc1Cl 1848018615 LRRWVWKXYRIJJK-GJZGRUSLSA-N 455.964 2.084 10 20 JECD Cc1nc(COc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)no1 731126529 PYTYPHURJIXGJJ-UHFFFAOYSA-N 465.510 2.391 10 20 JECD CCN(CC)c1ccc(CNC(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1F 731363245 CBGBFQMHNVYMMD-UHFFFAOYSA-N 465.551 2.018 10 20 JECD C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1)n1cncn1 747017442 IESFLNFKIOOQDZ-INIZCTEOSA-N 461.526 2.115 10 20 JECD CCOC(=O)c1c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n[nH]c1C 912530699 OHHGEPHARDNEPQ-UHFFFAOYSA-N 476.477 2.229 10 20 JECD Cc1cc(CC(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(Cl)cc1 917134351 QWWSJEFHBHRWFH-GOSISDBHSA-N 451.976 2.052 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 918223698 HSUNTNQHWLTQKO-UHFFFAOYSA-N 470.501 2.059 10 20 JECD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 918400919 PYZUICWOIHPWLH-UHFFFAOYSA-N 464.526 2.044 10 20 JECD CC(=O)Nc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1Cl 920786343 JQSSOYXLWMMBIE-INIZCTEOSA-N 471.945 2.255 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)C3=NO[C@@H](c4ccccc4)C3)C2)C1 1778173253 BXVRQBLMCYUFOA-VHHBQBHASA-N 493.516 2.164 10 20 JECD C[C@H](C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1)[C@H]1SC(=N)NC1=O 1788427905 DVDIMRUJBIGMQD-APPDUMDISA-N 469.523 2.043 10 20 JECD Cc1cccc2c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=C/c5ccc(O)c(O)c5O)[C@H]4C3)n[nH]c12 1792218315 XHFBSDMMPRXGOQ-GFWDFKOESA-N 492.532 2.295 10 20 JECD CC(C)[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1)c1ccccc1 1792237411 IWTBIECGZYTGOH-OZIGNCPNSA-N 489.663 2.266 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc2ccccc12 1797429258 ZUQCBICNSRZJFK-BTTYYORXSA-N 470.576 2.053 10 20 JECD CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1797730703 LMBPYDILQKXUAS-FZKCQIBNSA-N 496.511 2.389 10 20 JECD Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)n1 1799767255 HGJJZRZQGKWVOC-VPTLXERWSA-N 459.930 2.291 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccccc1N1CCCCC1 1799782449 KFJHSKCPLJENPJ-FEJSZKPUSA-N 466.538 2.000 10 20 JECD O=C(Cc1cc([N+](=O)[O-])ccc1F)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804157541 NBGJNMYLNOUEDA-IQMFZBJNSA-N 495.467 2.497 10 20 JECD O=C(CC1Cc2ccccc2C1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804340434 PKEVWUUIPAFTRM-REPLKXPHSA-N 457.621 2.290 10 20 JECD Cn1cc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)cn1 1813460184 VZDVNBYMBOOOKS-IERDGZPVSA-N 469.929 2.442 10 20 JECD Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c(O)c1 1813784130 ZPYYPXPYVMCHOP-IERDGZPVSA-N 484.603 2.276 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc(CO)c(F)c1 1813994967 LWBJUXLBAAXQBO-AOMKIAJQSA-N 466.469 2.153 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cnccc2Cl)[C@H]1c1cccnc1 1814188934 FWZDKVAWBDNVIS-KUHUBIRLSA-N 490.010 2.310 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146494 LLMURRGCLBBSEX-SFHVURJKSA-N 489.492 2.315 10 20 JECD Cc1[nH]nc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)c1F 1834021131 YDXCEKOZIQMLQC-UHFFFAOYSA-N 479.940 2.421 10 20 JECD Cc1ccc2oc(C(=O)NC3CCN(C4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)cc2n1 1834915673 NQLMQCIWWPLZKD-UHFFFAOYSA-N 479.537 2.441 10 20 JECD CCCCCc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)s1 1836419503 KNHFLSNHUDUQJS-QHCPKHFHSA-N 490.582 2.066 10 20 JECD C/C(=C\c1ccc(C)o1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880661 FAURAXTYMQOWAA-YYCGMOJISA-N 498.532 2.278 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)CCN2C(=O)c3ccccc3C2=O)C1 1841910667 AKEXPLYVVXTJKB-UHFFFAOYSA-N 483.908 2.255 10 20 JECD CC(=O)Nc1ccccc1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847036915 JNDYDANBEWIDRW-CSKARUKUSA-N 451.479 2.292 10 20 JECD CC(C)OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1847337817 MASAIULEZZBTAO-QYZOEREBSA-N 491.585 2.160 10 20 JECD COc1cc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2=NN(c3ccccc3)C(=O)C2)ccn1 1848107214 BPWMGNLBUBYPMJ-SFTDATJTSA-N 461.522 2.018 10 20 JECD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 726721669 FJUOGOZWPXBFRX-IBGZPJMESA-N 452.502 2.290 10 20 JECD COCCCN1CCC(NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 727033338 TUKNXAIZZJAUMJ-UHFFFAOYSA-N 485.608 2.242 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)NS(=O)(=O)c3cccc(-c4nnnn4C)c3)ccc21 728765323 KVCGSFQXWKUGTM-UHFFFAOYSA-N 468.539 2.214 10 20 JECD Cc1noc(OCC(=O)c2cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)n1 730731141 IXPUEMNTORHEPC-UHFFFAOYSA-N 460.512 2.068 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)c1sccc1S(=O)(=O)N1CCOCC1 917387253 ZAKDBMKBJRHBIA-UHFFFAOYSA-N 467.638 2.252 10 20 JECD COc1ccc(N2CCCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)cc1 917822274 MJVLDTCOSCRBLP-FQEVSTJZSA-N 458.946 2.061 10 20 JECD CCC(CC)[C@@H](CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)N1CCOCC1 918005830 KGNGYYXHRHULLV-FYYLOGMGSA-N 459.635 2.325 10 20 JECD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918286400 HQVFLOZIXZMJLW-HZPDHXFCSA-N 486.544 2.405 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cn4cncn4)cc3)cc2F)C[C@H](C)O1 918287679 RFINADXLDOLTJM-IRXDYDNUSA-N 466.517 2.334 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3ccc4ncoc4c3)C2)C1 1778010602 YCHBGDKRPVPMRC-ZNSATWQLSA-N 465.462 2.102 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)C3=NO[C@H](c4ccccc4)C3)C2)C1 1778173238 BXVRQBLMCYUFOA-GUTGOGNUSA-N 493.516 2.164 10 20 JECD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)ccn1 1779689444 SRAHNWBNFSRZBK-ATIYNZHBSA-N 475.549 2.310 10 20 JECD Nc1ncc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)s1 1781121401 TXKNJAQXWFIYIB-FOIQADDNSA-N 466.947 2.231 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)cc1 1781755188 GZXHBHYIWBLZQF-QHCPKHFHSA-N 492.498 2.216 10 20 JECD O=C(/C=C/c1ccc(Br)s1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1784422694 JNVMJYHZGZQPGX-ZFDYTMOGSA-N 494.367 2.474 10 20 JECD Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)cc1 1786551301 DYYICKZYDZXSLP-SSPYTLHUSA-N 474.561 2.310 10 20 JECD Cc1c(F)ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1N 1786947551 GLTZGQXRZWTLSZ-BPXKWBHBSA-N 493.539 2.103 10 20 JECD Cc1c(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)cnn1C 1787512123 VMSMGIGYYODCMR-UHFFFAOYSA-N 457.581 2.337 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)cc3F)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787541309 CYEXIZYYLDBEDE-NYDSKATKSA-N 496.514 2.280 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]cc4c3CCC4)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243712 DCTHLHPLAAPOQT-AXHNFQJDSA-N 459.930 2.475 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3occc13)C2)c1cc(O)c(O)c(Cl)c1 1799768045 FPSHMHLIQDFEKO-IVWMJMPLSA-N 457.870 2.409 10 20 JECD COc1ccc(/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c(F)c1 1802080510 DDSPFGRQGDVQQN-NCSLWMNCSA-N 477.583 2.346 10 20 JECD CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1807072196 DNKGEELUFDIQBX-NZUPQLOKSA-N 476.581 2.254 10 20 JECD COC(=O)c1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)s1 1807277698 KGISBUBWILQTFO-OYHNWAKOSA-N 496.545 2.298 10 20 JECD Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c2cccnc21 1810074723 PBMSQGRHCPOHOG-AOMKIAJQSA-N 472.505 2.408 10 20 JECD O=C(CCc1ccoc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1813525069 DPFURLUPJKFVAQ-UTKZUKDTSA-N 472.592 2.174 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n(C)n1 1814163128 ZLZGOIDMWNZFIP-VSEMJTJDSA-N 477.521 2.273 10 20 JECD Cc1occc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814186818 XWRYUOJVESNWNA-DNVCBOLYSA-N 458.565 2.163 10 20 JECD C[C@H](Nc1nccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1818086229 VOLIUPQHDKJVND-SMDDNHRTSA-N 457.516 2.479 10 20 JECD C[C@@H](Nc1nccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1818091763 KDMDGHJIMZNTET-YPMHNXCESA-N 493.640 2.219 10 20 JECD CN1CCN(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CC1 1821293399 KNRFECXDQBPPFP-SFHVURJKSA-N 490.992 2.418 10 20 JECD O=C1C[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CCN1 1821295164 FXCKPEMDKBEWBQ-NHYWBVRUSA-N 461.906 2.306 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccccc3F)sc2C1 1821859045 GXKQRGKBHLQDKU-SNVBAGLBSA-N 464.569 2.368 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccns2)[nH]n1 1823495858 DAXMIRJISJPRGL-LLVKDONJSA-N 450.571 2.032 10 20 JECD CC(C)N[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)C(C)C 1823497934 IUKWUHMINBJESE-KXBFYZLASA-N 480.660 2.285 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1829861605 MWHOTBVGBNFWCD-RPLLCQBOSA-N 496.608 2.079 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)Cc3cccc(F)c3)CC2)CC1)c1cc(O)nc(O)c1 1834988303 XDJRQVVQMLFHAK-UHFFFAOYSA-N 456.518 2.060 10 20 JECD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)n1cccn1 1838809988 NENQQPQJDCSNLZ-UKINESCASA-N 484.553 2.273 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCN4C)C3)C2)cc1 1839348843 PGWDGLGINAIXGM-RPLLCQBOSA-N 480.609 2.258 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnco4)C3)C2)cc1 1839348956 WBENXVDSEKBLNP-RUZDIDTESA-N 464.522 2.466 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cc(-c3ccncc3)[nH]n2)C1 1844484831 NQGJGVONNYBRRN-HWKANZROSA-N 461.478 2.119 10 20 JECD CS(=O)(=O)NCCN1C(=O)/C(=C\c2cnn(Cc3ccccc3Cl)c2)SC1=S 727176995 ACXCCNDEARCNTF-OVCLIPMQSA-N 457.002 2.335 10 20 JECD CN1CCCc2cc(CNC(=O)N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)ccc21 746980965 DCMIXHKAOUUOTB-UHFFFAOYSA-N 485.610 2.277 10 20 JECD CCc1cccc2c1N(C(=O)C(=O)NCCCN1CCN(c3ccc(OC)cc3)CC1)CC2 746991111 YOKLKDTURRLPPK-UHFFFAOYSA-N 450.583 2.475 10 20 JECD O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)NCc1ccc(N2CCOCC2)c(F)c1 917708665 MROAEQFVARFITQ-HSZRJFAPSA-N 472.542 2.124 10 20 JECD O=C(Nc1ccccc1C(=O)N1CCOCC1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918294005 AULVOOADPPTUQJ-IBGZPJMESA-N 467.522 2.011 10 20 JECD Cc1nccc(-c2cccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2)n1 918464630 XWIGXJPZRLGOAF-FQEVSTJZSA-N 472.549 2.409 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CC(=O)N(CC(F)(F)F)C3)cc2F)C[C@@H](C)O1 919093525 NMJBCJKBSSWCKW-IIAWOOMASA-N 489.466 2.010 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCN(C(=O)c2ccco2)CC1 919783198 GTYDGMDJWVIEPM-UHFFFAOYSA-N 493.543 2.203 10 20 JECD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)nn1C(F)F 1782007666 VWXPAZKVTRXSLX-FQEVSTJZSA-N 470.860 2.409 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)cc1C 1783246305 YRRVKJZGCFCTKF-WZONZLPQSA-N 475.636 2.291 10 20 JECD CCCOc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)cc1 1789656137 CMQPDTHAGQEXGN-VDGAXYAQSA-N 455.511 2.189 10 20 JECD C[C@@H](NNc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790242462 PGIPTGIOSZXHAR-DQTJMLIDSA-N 488.972 2.350 10 20 JECD Cc1nn(-c2ccccc2)c(O)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1794634015 ASSGIHIYRNRJFO-VBUUOAMHSA-N 463.494 2.258 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796932018 ZQFWVFCSIRJQNW-YRLHULLVSA-N 460.538 2.313 10 20 JECD Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c1C(F)(F)F 1799768454 OBBKKEOWQKCDFW-GNXNZQSNSA-N 488.850 2.021 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ncc(F)cc2F)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994374 VVQUWGRJVAGFBC-RBZFPXEDSA-N 455.421 2.194 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc3c2OCC3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995267 FWRUSZAXJUXVGX-HTAPYJJXSA-N 460.490 2.456 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cnc2ccccn12 1809217099 JNTXCLMSONVFSW-AOMKIAJQSA-N 458.478 2.169 10 20 JECD CCCC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1810513725 HNUSGFXCVXULOT-RPGSIGHESA-N 496.564 2.222 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)c3cnn4ncccc34)C2)CC1 1810750589 IYJHFTRLYLDAFI-FNORWQNLSA-N 477.521 2.404 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3Cc4ccccc4O3)sc2C1)c1cc(O)nc(O)c1 1818778414 QBEHKSVDJIXNEG-CZUORRHYSA-N 452.492 2.179 10 20 JECD Cn1cc(F)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823497240 BNJIGFHZUPNPCP-CYBMUJFWSA-N 464.548 2.054 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)C2=CCCS2)CC1 1824571667 XBOUVAHCPUKHEP-HNNXBMFYSA-N 453.655 2.487 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1)c1cc(O)nc(O)c1 1834987400 QOGJQIGZAULIQN-UHFFFAOYSA-N 487.488 2.039 10 20 JECD COC(=O)Nc1cccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834987583 XWZUXUJODWZVMM-UHFFFAOYSA-N 497.552 2.170 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(Cl)c3)C2)C1 1840881219 JBOPCQQRVDXANA-COIATFDQSA-N 488.924 2.240 10 20 JECD CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CC1 1841078672 FWYWOZQRGMYADG-UHFFFAOYSA-N 478.521 2.049 10 20 JECD Cc1cc(CC(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)no1 1843331544 HUBUNDLXPDAYNP-OAQYLSRUSA-N 497.596 2.447 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2ccc(-n3cccn3)cc2Cl)C1 1845292663 YBDHDRJSAFFFGO-UHFFFAOYSA-N 453.886 2.463 10 20 JECD CCOc1ccc(Cl)cc1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054778 OVEKOSZDJFSZBF-UHFFFAOYSA-N 468.000 2.416 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(c2ccccc2)C(=O)C1 1847571158 HYHVFEZPTAHUBO-UXPWSPDFSA-N 483.569 2.142 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)CC3CCCC3)cc2F)C[C@@H](C)O1 725988777 HCHLAYZFUVJZDO-CALCHBBNSA-N 463.550 2.295 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)CC3CCCC3)cc2F)C[C@@H](C)O1 725989160 HCHLAYZFUVJZDO-IAGOWNOFSA-N 463.550 2.295 10 20 JECD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4cccc(-n5cnnn5)c4)n3)ccc2N1 727246567 NFAJDLXULQTJQV-UHFFFAOYSA-N 453.509 2.471 10 20 JECD CCCN1Cc2cccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2C1 727615617 NFAMHOLSAIRWHG-HXUWFJFHSA-N 463.582 2.369 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3c(F)ccc(S(=O)(=O)NC4CC4)c3F)cc2)C1 729841304 DTCKGVDAZGTCSC-HNNXBMFYSA-N 492.548 2.037 10 20 JECD CN(C)c1ccc(CNC(=O)c2cc(I)ccc2-n2cnnn2)cc1F 746798731 SJHHYMAMYFJELG-UHFFFAOYSA-N 466.258 2.402 10 20 JECD COCCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 750875380 UBEHJHAIJUSFND-JOCHJYFZSA-N 475.611 2.499 10 20 JECD O=S(=O)(c1ccc(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1)C(F)F 916990903 UKUOIZIJMCFYBJ-UHFFFAOYSA-N 474.536 2.199 10 20 JECD COC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 918250733 VWBDRKSZKFXANU-UHFFFAOYSA-N 469.542 2.141 10 20 JECD Cc1c(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cccc1C(=O)N1CCOCC1 919775932 BHUYHFBOFDQPPH-FQEVSTJZSA-N 479.581 2.491 10 20 JECD COc1ccc2c(CC(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)c4cc(O)nc(O)c4)C3)c[nH]c2c1 1777846741 SRZGSULKMSPUCY-QFQXNSOFSA-N 494.548 2.353 10 20 JECD Cc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)cc1[N+](=O)[O-] 1780760019 JWLAXZLCJNMTFF-NTKDMRAZSA-N 484.509 2.080 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1782552616 GHZJZPVHPZLOCQ-JOCHJYFZSA-N 474.876 2.295 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/C1CCCC1)C2 1783246231 XDSVINRPIJNIRU-ZVLBRCSDSA-N 465.641 2.107 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4ccccc4O3)C2)C1 1783839047 GIVMOKIZADPTJS-YIXXDRMTSA-N 488.544 2.003 10 20 JECD CC(C)(C)OC(=O)NCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1785570015 IRKZGBGQPGFLLF-HSZRJFAPSA-N 497.976 2.500 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1cnc2ccoc2c1 1787352206 DXIJCUUDGCDHKZ-NVVBAYIOSA-N 487.516 2.214 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c(C)c1 1787540133 HYTZAGIGZWEBEM-OEOAZWSVSA-N 490.560 2.390 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn[nH]c1)C2 1796748598 ASUUUIOYMOXFJY-PLACYPQZSA-N 482.585 2.380 10 20 JECD COc1ccc([C@H](O)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)cc1 1796930859 FYAFAMMGNJEEKM-GHCZAOPSSA-N 476.533 2.160 10 20 JECD CO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1798418520 VCHNHIQWYMSVNZ-FTWQHDNSSA-N 491.585 2.207 10 20 JECD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1C 1798912854 ISRZXLBJQAPDFU-VBNMUIRISA-N 452.507 2.337 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)C1(O)CCC1 1802470563 YKJKDXOZZMHBDR-VVKOEQFZSA-N 481.549 2.469 10 20 JECD O=C(Cc1ccc(F)cc1F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804336437 YCPUNGXAFSIWBN-QDMKHBRRSA-N 453.536 2.006 10 20 JECD Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c(F)c1F 1804340147 JFPISXJRNUARGB-CLLJXQQHSA-N 453.536 2.385 10 20 JECD Cn1ncc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1C(F)(F)F 1804821281 GNTVCMJTZIGCHG-ACJLOTCBSA-N 490.442 2.274 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cccc(O)n1 1805678222 LDYVMBPAWARDMV-JWAINBRSSA-N 476.489 2.332 10 20 JECD Cc1ccc(OCC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1806675494 RHKAMYIIMXVDRQ-WZONZLPQSA-N 498.630 2.335 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cnc(C(F)(F)F)cn1 1807907690 MYJGERWBBNUYMI-ORAYPTAESA-N 488.426 2.330 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC2(CCCN(C(=O)c3ccc(O)cn3)C2)CC1 1808847382 NYCCAGPIYFUERH-UHFFFAOYSA-N 461.522 2.425 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCN2CCOC2=O)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811807356 YFTCISCTYSZBSO-FOIQADDNSA-N 488.928 2.308 10 20 JECD O=C(CCc1ccoc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1813525068 DPFURLUPJKFVAQ-LAUBAEHRSA-N 472.592 2.174 10 20 JECD O=C(Cc1ccsc1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1815613975 GXQNCHBMKDSRAT-LLVKDONJSA-N 466.635 2.220 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cn3ccsc3n1)CC2)c1cc(O)nc(O)c1 1816726679 WVRGUNAKHIIFGD-SNVBAGLBSA-N 456.509 2.198 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3nc4ccccc4[nH]3)sc2C1)c1cc(O)nc(O)c1 1818052959 RMEUTSUSFRFSJN-LLVKDONJSA-N 450.480 2.365 10 20 JECD CC[S@](=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146856 JCNNKQXFSYKMQK-XRSWDHFMSA-N 484.582 2.353 10 20 JECD COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cn1 1824743567 YDBRCGDOGJLYPA-QGZVFWFLSA-N 476.624 2.184 10 20 JECD O=C(c1cnc2ncccn12)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427721 QXWYBBSYNSWHBM-KRWDZBQOSA-N 450.499 2.083 10 20 JECD CC(=O)O[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)C(C)C 1828772746 DVFBIHAAOYDCAA-YLJYHZDGSA-N 483.656 2.054 10 20 JECD CC(C)CNC(=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877501 OSTJPGSAFRIERN-XSBJJCPUSA-N 473.570 2.209 10 20 JECD O=C(c1nccc2nc[nH]c12)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902522 PENSVFHUYBXXPO-INIZCTEOSA-N 486.623 2.052 10 20 JECD Cc1onc(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)c1C 1835134660 RMFZIRMIKKZJJC-UHFFFAOYSA-N 492.580 2.270 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)CCc3cnccn3)CC2)CC1 1838810552 JYVCDPAISUAMTF-GORDUTHDSA-N 496.564 2.238 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC4(O)CCC4)CCO3)C2)cc1 1840595301 VWUHNYYMWCCYCL-MHZLTWQESA-N 481.593 2.469 10 20 JECD CCSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250060 GSJLMKRJUYWWPM-INIZCTEOSA-N 494.614 2.346 10 20 JECD CC(C)(C)OC(=O)NCCOCC(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501910 QEUXWZRGABIEER-UHFFFAOYSA-N 483.949 2.110 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@H]2F)C1 1845903715 ITAZNJIFFRPQLK-YESZJQIVSA-N 477.533 2.095 10 20 JECD CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)cc1 15445213 HDFMNDFAVSXUMW-UHFFFAOYSA-N 458.628 2.499 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 23473147 XFTCIZJTBMMGDB-UHFFFAOYSA-N 479.455 2.336 10 20 JECD Cc1cccc(-n2cc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)nn2)c1 725966614 FTHPUOCOKDGTGC-UHFFFAOYSA-N 453.474 2.025 10 20 JECD CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)cc2)CC1 915732119 SAQGKQBWUDYOME-UHFFFAOYSA-N 458.584 2.428 10 20 JECD O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918203038 UVBNOLJYXWRYBF-UHFFFAOYSA-N 475.565 2.231 10 20 JECD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)N(C)Cc1ccccc1O 918443848 HZINQBOXNJSVLC-UHFFFAOYSA-N 461.540 2.173 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CCn3cnc4ccccc4c3=O)cc2F)C[C@@H](C)O1 918921341 KXHYFYROJBPISS-QZTJIDSGSA-N 496.539 2.399 10 20 JECD CC(C)C(=O)N1CCC(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 918945467 QFQOLAYJBCPUPF-HDICACEKSA-N 477.577 2.493 10 20 JECD CCNC(=O)COc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC 919792224 XRWRDKWSJOARCH-UHFFFAOYSA-N 456.543 2.046 10 20 JECD CCCCCNC(=O)C1CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 920255112 BGZLKWJXGOSEPY-ZHACJKMWSA-N 470.614 2.445 10 20 JECD COC(=O)c1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n(-c2ccccc2)n1 1318300179 WZIHTARHDSAXES-GOSISDBHSA-N 461.522 2.291 10 20 JECD CC(C)(C)OC(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778126949 UWVBHGQUSVLFOY-FQRUVTKNSA-N 498.580 2.025 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc2cccn2cn1 1778724837 UIQSPKVHHQWLEH-YRHVXKOMSA-N 492.532 2.292 10 20 JECD Cn1ncc2c(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)cccc21 1782005715 XCZLYZNDXCFWPP-QHCPKHFHSA-N 470.913 2.395 10 20 JECD Cc1c[nH]c(C)c1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787538840 PSGJKURNMFIYQP-APTRMMRNSA-N 491.592 2.337 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CSC3CCCC3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787538910 UCRGXDUOQGIWFO-XJABCFGWSA-N 484.622 2.435 10 20 JECD CCc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)s1 1788767577 GRFIIDCTWVOURO-QSFXBCCZSA-N 481.578 2.092 10 20 JECD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1)c1ccc(Cl)cc1 1792237156 BBPFKQFHXVBIJB-IKICRFKJSA-N 496.054 2.284 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)C1CN(C(=O)OCc2ccccc2)C1 1796602652 SNJSIFYEMCMDMA-ACDBMABISA-N 480.521 2.013 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cccnc1Cl 1802283258 VLKHBGGVZMRMSX-KSSFIOAISA-N 490.010 2.310 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cnc(C(F)(F)F)cn1 1807907693 MYJGERWBBNUYMI-YJYMSZOUSA-N 488.426 2.330 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2(Br)CC2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999190 ILOMKGRMSJNMQD-GUYCJALGSA-N 461.316 2.135 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1808331547 PHXBULJQTNJCCL-FDDCHVKYSA-N 489.532 2.463 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@H]2CCCCO2)[C@@H]1c1cccnc1 1814162686 VNGCVZFWCDKVEC-XLUPVJHTSA-N 467.522 2.487 10 20 JECD Cc1cccnc1CCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814185189 MTVPMKGMAYTXDG-FDDCHVKYSA-N 497.646 2.284 10 20 JECD CC(C)(C)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1814888279 YPXZGQPCOLKHMW-AWEZNQCLSA-N 468.583 2.236 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@H]1CNc2ccccc21 1817345586 KYRDKSUGPJTVHB-YOEHRIQHSA-N 484.607 2.471 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CNC(=O)c2cccs2)[nH]n1)c1cc(O)nc(O)c1 1817843950 JWMGVXXKMUMNRE-CQSZACIVSA-N 470.511 2.013 10 20 JECD COc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)c(O)c1OC 1823537919 OWFLVQOLJDJZND-LLVKDONJSA-N 486.506 2.212 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1826541318 SNNAFAANCFMLNA-WFASDCNBSA-N 453.524 2.449 10 20 JECD CC(=O)Nc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)ccn1 1827427351 LEVLKMTZHHGYBS-LJQANCHMSA-N 467.526 2.393 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)Cc1cccs1)CC2 1828242204 DLCPDAKVVUDBBC-SNVBAGLBSA-N 466.635 2.220 10 20 JECD C[C@@H]1CCc2c(C(=O)N[C@@H]3CCc4nc(NC(=O)CN5C(=O)CSC5=S)sc4C3)n[nH]c21 1828244838 SSEPOJPCDBWZSQ-NXEZZACHSA-N 490.636 2.002 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1831685708 URSPIRVUGFXIMW-TVFCKZIOSA-N 465.641 2.034 10 20 JECD COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cn1 1832896537 KLKQPZVVVURWFD-KRWDZBQOSA-N 476.624 2.184 10 20 JECD Cc1nccn1[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899353 FOKCSMUKKNPBQG-YJBOKZPZSA-N 477.656 2.233 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1ccnnc1 1834142224 ZYVWYEYGMPRITL-UHFFFAOYSA-N 459.934 2.040 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCc4ccccc4C3)CC2)CC1)c1cc(O)nc(O)c1 1834988085 COVHPGCTWDSSCB-FQEVSTJZSA-N 478.593 2.483 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)CC1)c1cc(O)nc(O)c1 1834988466 VVOPWLSHDJSREK-QFIPXVFZSA-N 464.566 2.408 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cccnc3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132715 HCUXMYLZFUPJGN-UHFFFAOYSA-N 474.565 2.060 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc(O)c(F)c3)CC2)CC1 1838030154 CNVZNMBVICYCMW-UHFFFAOYSA-N 459.474 2.264 10 20 JECD O=Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)s1 1839434181 SGGDVQTYHHGSES-OAQYLSRUSA-N 480.926 2.009 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1 1841005030 GPZPWPCJFANDAB-SOFGYWHQSA-N 453.451 2.171 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)[C@H]2CC(c3ccccc3)=NO2)C1 1841558818 AKVLXLGNSYEGFT-CSNYQSHPSA-N 463.490 2.213 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cc(Cl)nc3n[nH]cc23)C1 1843205152 QKDDRTQDQKNSGT-UHFFFAOYSA-N 477.912 2.221 10 20 JECD Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)cc1[N+](=O)[O-] 1847038595 WENMEEUIJYBCFH-SOFGYWHQSA-N 467.478 2.479 10 20 JECD COc1ccc(OC)c(CCCC(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)c1 1847054247 ADSXGZGNTCHRIQ-UHFFFAOYSA-N 491.635 2.090 10 20 JECD CS(=O)(=O)Nc1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1Cl 116182379 VMSCQKYYGPRHGH-INIZCTEOSA-N 464.975 2.343 10 20 JECD COc1c([N+](=O)[O-])cc(N2CCN(C(=O)CN3CCCC3)CC2)c([N+](=O)[O-])c1Br 728569154 NVHSBCYHRJMXOC-UHFFFAOYSA-N 472.296 2.019 10 20 JECD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)CC1 742475781 NOWZZBPDJYIXMF-UHFFFAOYSA-N 484.622 2.460 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccc(Br)c(S(C)(=O)=O)c3)nc12 749306984 VRDDRBNTOLYMMR-UHFFFAOYSA-N 498.311 2.135 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)cc2F)C[C@@H](C)O1 917712249 IGIXIDRIINVZHZ-MDOVXXIYSA-N 490.963 2.383 10 20 JECD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918465179 ICICGYXOUIGEQY-HXUWFJFHSA-N 491.592 2.188 10 20 JECD COc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1S(=O)(=O)NC(C)(C)C 919839198 GVPJIPSPEUPLBL-UHFFFAOYSA-N 495.623 2.259 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)CC2)cc1 920252565 MXGMUTLUBBZAPS-RGPPVUSESA-N 454.546 2.458 10 20 JECD Cc1nc[nH]c1CSCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1778914228 PQUCZWJAXJQWLB-NRFANRHFSA-N 480.974 2.160 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccnc2c(O)cccc12 1781407868 DLKNLLROQLIANT-KBMIEXCESA-N 478.505 2.188 10 20 JECD CC(C)(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)cc1 1781732347 XHLSWUUXPMBEKP-HSZRJFAPSA-N 491.635 2.168 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3[C@H]1O)CCO2 1782004524 ZDPGYUCMCRZENV-HCYUJWNOSA-N 486.952 2.491 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cn3ccccc3n1)CCO2 1782005374 BQKGJVUXIDSOIA-JOCHJYFZSA-N 456.886 2.156 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)[C@@H]1CC=CCC1 1783984432 SGLRCVXFZYDHCO-RQIDZSJNSA-N 450.539 2.115 10 20 JECD CN(C)c1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785509973 JZMSAVMNAZMENU-CFSVISAESA-N 467.522 2.026 10 20 JECD Cc1cscc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1787622113 QFNZJAZPOACPQN-NHXJEQGQSA-N 458.536 2.480 10 20 JECD CC(=O)Nc1ccccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1792003023 HDFWJSIMKPEMGX-BFPXBCCMSA-N 495.532 2.069 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)nc1 1792217943 UZMQITIXWACTNI-RUIVDBCOSA-N 481.549 2.133 10 20 JECD COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)cc1NC(C)=O 1796601421 GQVGCRZZPPZWQL-BJWYYQGGSA-N 454.483 2.025 10 20 JECD Cn1ncc(Br)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796934692 UKMGTOQRPDLQCD-RBVVOMGSSA-N 499.369 2.227 10 20 JECD Cc1ccc(OCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1 1804334136 CLRLFOJJJFPXBR-BJWYYQGGSA-N 461.609 2.262 10 20 JECD CC(C)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)C(=O)OC(C)(C)C 1804334162 FMNFUXFCPYWFLB-MUJYYYPQSA-N 498.671 2.130 10 20 JECD O=C(Cn1cccn1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1807640276 OUWSIHOIODIUQQ-MGPUTAFESA-N 455.902 2.363 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3cccn3cn2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995735 ICMLBBMGRSGQDH-OPAMFIHVSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2cnccn2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468888 GFAXOEZIMYQLIX-VRFSCZOFSA-N 495.543 2.384 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810275 SFTBVXINLNFAFP-QBSBYYDBSA-N 457.914 2.358 10 20 JECD C[C@H](Cc1ccccn1)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1813288212 JHPCKZZLODETMZ-NRJQMVOHSA-N 497.646 2.222 10 20 JECD O=C(CCN1CCCC1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1814265455 ORLKOJFVDKVBCX-RLWLMLJZSA-N 488.592 2.366 10 20 JECD O=C(CCc1ccco1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815936287 JLTJWASPUFACJN-HNNXBMFYSA-N 461.569 2.488 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]c(C3CC3)c1F)CC2)c1cc(O)nc(O)c1 1816722128 SNGMPTUGHABUNQ-JTQLQIEISA-N 458.475 2.229 10 20 JECD CC[C@H](NC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146572 QSKFFKFATAHFGT-LPHOPBHVSA-N 451.531 2.193 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2)n1ccccc1=O 1820134641 MPRYAIAVEXQNQI-SSWZSUJXSA-N 496.545 2.308 10 20 JECD Cc1nscc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823497426 YPVDNVCQTAGXHW-CYBMUJFWSA-N 464.598 2.341 10 20 JECD Cn1nc2c(c1C(=O)Nc1nc3c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC3)CCC2 1824246095 CUNGEBWYIKNDRD-PPOCWRSBSA-N 495.561 2.421 10 20 JECD O=C(c1ccc2nc(CO)[nH]c2c1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827426998 AEFSFPIOLJZQOV-HXUWFJFHSA-N 479.537 2.409 10 20 JECD Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)nc1 1832994452 IUPOLAHGJWGITP-XMMPIXPASA-N 489.956 2.157 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1)c1c(F)cccc1F 1836228168 SXDMIGACHQCCPS-UHFFFAOYSA-N 496.605 2.010 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3ccccc3)CC2)CC1 1838566995 XIYUAEBLBXUAMZ-UHFFFAOYSA-N 461.609 2.159 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)COc3cccc(N4CCCC4=O)c3)CC2)cc1 792322836 UVFBXDOTSYDQNS-UHFFFAOYSA-N 467.522 2.093 10 20 JECD Cn1cnnc1CNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 915193476 DGAAHSPVYKLZMX-WUXMJOGZSA-N 452.359 2.095 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)cc2F)C[C@@H](C)O1 917153211 QVVDXCKVGKTHNC-GASCZTMLSA-N 469.473 2.374 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)cc2F)C[C@@H](C)O1 918219097 DRDIQSXMURBOBN-ZIFCJYIRSA-N 470.611 2.443 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 918633866 PQUBOJAVXYYIOE-PZJWPPBQSA-N 461.534 2.261 10 20 JECD Cc1nc(-c2cccnc2)nc(O)c1CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918672393 JAIBKZLLMPPEFH-LJQANCHMSA-N 460.538 2.113 10 20 JECD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCc1ccc(N2CCOCC2)cc1 919722893 PNRKGFUGUATQSK-UHFFFAOYSA-N 462.528 2.064 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCC(=O)N3CCCc4ccccc43)CC2)cc1 920045746 WQRVSPGMNVLLJN-UHFFFAOYSA-N 465.598 2.486 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(-c4csnn4)cc3)cc2)C1 920194718 WFWNJMSLXODGSD-QGZVFWFLSA-N 464.551 2.162 10 20 JECD Cn1cc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)ccc2n1 1782246535 XLHAMHLSJRHQBE-QHCPKHFHSA-N 470.913 2.395 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(Cl)s1)C2 1783245215 NLPKBVKTWSFECS-BFUOFWGJSA-N 488.056 2.389 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(Cl)c(Cl)c3)C[C@@H]21)c1cc(O)nc(O)c1 1787293872 SZBIFHVLGZYDBF-XEGUGMAKSA-N 467.309 2.102 10 20 JECD O=C1CC[C@@H](C(=O)NC2(c3ccc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)cc3)CCC2)N1 1788672517 NJHSEVBGCIJQAR-IBGZPJMESA-N 459.506 2.192 10 20 JECD CC(=O)N[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1791289733 USHPKXGILSWBCV-MRXNPFEDSA-N 461.522 2.438 10 20 JECD CC(C)(C)OC(=O)N1[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C[C@H]2C[C@H]21 1793130571 SBTLPNAKHHWIDA-NPFDDYGESA-N 472.542 2.143 10 20 JECD CC(F)(F)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1793464311 BOBGKVROVZRSPH-CCWDJLKJSA-N 462.497 2.050 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cnccc3n1)C2)c1cc(O)c(O)c(Cl)c1 1799768517 VWSHRNINRKVSOP-YVWYUNDQSA-N 468.897 2.211 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1801934124 FKUDULIKCWAPKI-GLZZAVLXSA-N 486.569 2.392 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)no1 1805832806 OIWZCQPPWREYAI-JPYJTQIMSA-N 472.505 2.491 10 20 JECD CCc1nn(C)c(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1Cl 1807991785 SWIRVAJTAVMAJJ-VBKZILBWSA-N 484.944 2.471 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CSc2ccncc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994180 SQMNJHIEHPKRQF-OPAMFIHVSA-N 465.535 2.395 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnsn2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808464118 JIMLXKHGCOWSRZ-HRAATJIYSA-N 475.534 2.046 10 20 JECD O=C1Cc2cc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)ccc2N1 1809685197 YMWLZQSHLHQEBA-WAIKUNEKSA-N 473.489 2.016 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3cccc4nc[nH]c34)C2)CC1 1810568530 VQWUFJKCFVYPLV-UHFFFAOYSA-N 471.608 2.268 10 20 JECD N[C@H](C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccccn1 1814163076 XTCKZOUPHNNRPL-SCOLINQZSA-N 489.532 2.013 10 20 JECD Cn1ccnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1816553742 UZMVWJKNKUMUDJ-PMGBHYCQSA-N 452.471 2.279 10 20 JECD Nc1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)cs1 1817362842 WWJDOCWIXZWGHH-LLVKDONJSA-N 481.563 2.201 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147763 IEWMLBHJBQBPAQ-CHOVKTHHSA-N 462.510 2.087 10 20 JECD CC(=O)N/C(C)=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818147940 QQDDJBZMMOJVSE-IURSYISVSA-N 477.525 2.235 10 20 JECD Cn1nccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476975 VCKUSTCUQOPIGF-VFADXPBXSA-N 452.471 2.279 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)[nH]n1 1823496193 HSMIUAGCVBQEOA-INIZCTEOSA-N 491.570 2.480 10 20 JECD O=C(Cn1ccccc1=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715996 YLTRQGHYRZVQGA-QHCPKHFHSA-N 489.576 2.261 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716195 FBOYMOYDHRFVLI-AVRDEDQJSA-N 479.581 2.090 10 20 JECD Cc1cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)on1 1832896466 JDLLYYKAUSQFEJ-QGZVFWFLSA-N 464.613 2.006 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)[C@@H]1C[C@@H]1C1CC1 1833249132 FPQCRBCPVSSVQZ-DHIUTWEWSA-N 477.609 2.397 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)[C@@H]1CCC=CO1 1835725039 QFHMILCYVBZLQR-XYASWCNUSA-N 471.554 2.081 10 20 JECD COCc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)c1 1836106125 BHRNJJSKYAGPDI-HWKANZROSA-N 498.580 2.177 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3cnoc3C3CC3)CC2)CC1 1837596168 YQXWTHTXAPWBNW-UHFFFAOYSA-N 492.623 2.025 10 20 JECD CCC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838751084 BJAXMRXGBDLTIF-UHFFFAOYSA-N 455.646 2.282 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)ccc1C(F)(F)F)CCO2 1840768474 KBQFKOMCQYXBPA-OAQYLSRUSA-N 499.417 2.035 10 20 JECD O=C(C1=C2c3ccccc3C(=O)N2CC1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038833 RDXHCJIASCPZLQ-VQHVLOKHSA-N 487.512 2.291 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnco1 1847926313 HQTIOPHEQGOSAB-ULQDDVLXSA-N 486.525 2.037 10 20 JECD O=C(CCc1ccc(C(F)(F)F)cn1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1848206608 MTSKPTDSHXHGRB-HOTGVXAUSA-N 450.417 2.355 10 20 JECD CCCCN(C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)[C@H]1CCS(=O)(=O)C1 10877714 HKWMGCCEVZFWBC-INIZCTEOSA-N 483.542 2.435 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCC3(N4CCSCC4)CCCC3)CC2)cc1 743363301 RLANGHXQPWZPEY-UHFFFAOYSA-N 461.676 2.478 10 20 JECD C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cc(F)ccc1N1CCC(O)CC1 857461420 ZDQUVEGNQWMSDK-ZDUSSCGKSA-N 451.520 2.355 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 918222913 BCAUTEHJRNVNJQ-UHFFFAOYSA-N 494.564 2.454 10 20 JECD COC(=O)COc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)c1 918298328 ZTEULSZMYDBJRD-IBGZPJMESA-N 456.495 2.399 10 20 JECD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 918311589 UYSXMYRGHPYCQJ-UHFFFAOYSA-N 480.565 2.106 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cc(C(N)=O)c4ccccc43)cc2F)C[C@@H](C)O1 919567793 AFVQCMXPELLRJO-CALCHBBNSA-N 496.539 2.353 10 20 JECD O=C(COc1ccc(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1)NC1CC1 919792355 YLQCEERQULFAPT-UHFFFAOYSA-N 452.555 2.223 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1 920437391 RFORLZWNCMUYOC-IYBDPMFKSA-N 494.545 2.332 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c(C)c1 1777852148 FNDIGLKAMZGNEQ-NTKDMRAZSA-N 455.511 2.251 10 20 JECD Cc1oc2cc(O)ccc2c1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1777883479 WCTYQXBUGJNKPQ-HSZRJFAPSA-N 453.451 2.010 10 20 JECD O=C(Cc1n[nH]c2cc(Cl)ccc12)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1780547591 GWKIFOQKNZIVTR-NTKDMRAZSA-N 499.955 2.393 10 20 JECD COc1nc(C)ccc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007022 GUOOUGOAFLWVQE-JOCHJYFZSA-N 461.902 2.221 10 20 JECD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1)c1ccccc1 1783246745 GWLUPBZQMCEUOQ-PRCFCKQXSA-N 475.636 2.164 10 20 JECD Cc1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)ccc(F)c1F 1783247248 YWZGLCQZNAQFFV-OPAMFIHVSA-N 497.589 2.261 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc3ncccc3c1)CCO2 1785503664 NLAISGFQWHBFQS-RSCNSQJMSA-N 489.528 2.437 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)[C@H](O)c3ccco3)cc2)CCC1 1785858156 HQHNZZKXJZOMON-GOSISDBHSA-N 459.549 2.307 10 20 JECD Cc1cnn([C@@H](C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)c1 1791596836 IZSOLBKALUBYQT-PWDMQXDWSA-N 462.934 2.111 10 20 JECD CCc1[nH]nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1Cl 1792219400 UOXCPIIUVXVYPF-UPXVOXCFSA-N 490.944 2.049 10 20 JECD C[C@@H](C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1)n1cccn1 1792316221 WPEZIFHMEKRKRG-AWEZNQCLSA-N 457.581 2.439 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccc2ccoc12 1800053619 BYHYVLBSULNRGE-ZLSBKTEHSA-N 464.474 2.466 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1scnc1C(F)(F)F 1804331638 IZKOGSNNXPZTLA-ILWJIGKKSA-N 478.543 2.274 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC2(CCCN(C(=O)c3cnc(OCF)cn3)C2)CC1 1807645049 LJEIUCPKTXHEIG-UHFFFAOYSA-N 494.527 2.420 10 20 JECD COc1nccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1F 1807993375 JIQLAVZPUPKSCG-VBKZILBWSA-N 467.457 2.064 10 20 JECD Cc1oncc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808467522 HHFZLYIXBYLZGC-JPYJTQIMSA-N 472.505 2.491 10 20 JECD Cc1nc2ncccn2c1C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810551317 GXIHIGFMSOMTPG-UHFFFAOYSA-N 450.499 2.003 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)n1cccc1 1813315246 RUDUHJAFXZHSAM-OXFYSEKESA-N 471.608 2.010 10 20 JECD CN(C)c1cccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1814190096 QIMXVQBJZPCPMC-GCJKJVERSA-N 497.646 2.328 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)CN3CCCCC3)sc2C1 1814538733 NARBMUSYTDKAHH-BOSPYUDASA-N 472.567 2.371 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1ccc[n+]([O-])c1 1816055444 AIDBGSIIPZHBHZ-FQEVSTJZSA-N 473.493 2.142 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccncc3Cl)sc2C1 1820422948 ZCWXQCRRUQWDRK-SECBINFHSA-N 482.012 2.278 10 20 JECD Cn1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)c(C(F)(F)F)n1 1820518458 ITEBUFWCHFFGBY-SECBINFHSA-N 482.444 2.241 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCSC2)[nH]n1 1823500812 HJNRJMUJPSPQAP-GXTWGEPZSA-N 467.642 2.405 10 20 JECD C[C@H]1CCc2c(C(=O)N[C@H]3CCc4nc(NC(=O)CN5C(=O)CSC5=S)sc4C3)n[nH]c21 1828244839 SSEPOJPCDBWZSQ-UWVGGRQHSA-N 490.636 2.002 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccnn3c2)CC1 1830949277 AALYXDMNFIKGJO-IBGZPJMESA-N 485.635 2.428 10 20 JECD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)N1C[C@@H]2C[C@H]2C1 1838369984 IHXHFQQXPKRROV-CGMUKOGQSA-N 499.608 2.155 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3c(F)cccc3F)CC2)CC1 1838569580 BXLGOHQKHXXTLG-UHFFFAOYSA-N 497.589 2.437 10 20 JECD COC(=O)N[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccccc1 1847449963 PXEYZFQGHXXHTC-QNWVGRARSA-N 489.532 2.078 10 20 JECD COCCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nnc1-c1ccncc1 21278052 QFZZGGAAKNGSQL-UHFFFAOYSA-N 468.583 2.436 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@@H](CC(C)C)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)CC2)cc1 742916835 QBWRXWMXAAIEEU-TZRRMPRUSA-N 482.625 2.299 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 906468725 RFHVPDHUVXVYPA-UHFFFAOYSA-N 473.598 2.034 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)CC2)cc1 916196475 IEXLEJAKFJNMPS-UHFFFAOYSA-N 483.573 2.042 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc2)C1 918121988 JSGYCOQFPQAVTH-LJQANCHMSA-N 466.542 2.328 10 20 JECD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 918287601 QRFCIAISEXBXGT-HUUCEWRRSA-N 472.517 2.062 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(CS(C)(=O)=O)cc3)cc2F)C[C@H](C)O1 918820087 LUCDUFJFJPQBGZ-IRXDYDNUSA-N 492.569 2.457 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3nc(-c4ccccc4)oc3=O)cc2F)C[C@@H](C)O1 918890468 XCTYTZDWYNNIPM-CALCHBBNSA-N 498.511 2.116 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@H]1CC(=O)N(Cc2ccccn2)C1 919699727 ZCOXYUHKNQLYAI-FQEVSTJZSA-N 489.555 2.002 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1OC 919799900 KDDWTDDNMZWJHJ-UHFFFAOYSA-N 494.527 2.214 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 919969588 SSMBGKYMDXLZIR-UHFFFAOYSA-N 484.553 2.335 10 20 JECD Cc1nnc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)o1 1781753944 OUPWYHFVBHVWMD-VWLOTQADSA-N 463.538 2.472 10 20 JECD Cc1cccc(/C=C/C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)n1 1783507763 YKEXXACDNVOQIA-OVRPSWQJSA-N 479.533 2.213 10 20 JECD O=C(CCC(=O)N1CCCC1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1786669610 BFPWQHYSXVEFAS-UHFFFAOYSA-N 488.635 2.383 10 20 JECD CNc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)cc1 1787539001 CFUMLWVQTMHXPY-HARLFGEKSA-N 475.549 2.115 10 20 JECD CC(C)(C)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)[nH]n1 1787539642 MXZXCSKQTPAGET-MDKPJZGXSA-N 492.580 2.093 10 20 JECD COc1ccccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1789466799 NJSOMHBXEFXZGE-HVYBTOTFSA-N 468.506 2.119 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCC(=O)N4C)[C@H]3C2)cc1 1789941978 BWORIKQGUMAWMH-BIHRQFPBSA-N 478.593 2.308 10 20 JECD Cc1cccn2ncc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C[C@@H]43)c12 1790510083 BSJRSTBMVTVZSI-JSFTZJQYSA-N 492.532 2.066 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cccc2c[nH]nc12 1796182599 AYZHZVVKHMPGOU-ZSBFGKGUSA-N 456.886 2.145 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@@H]1COc2ccccc2O1 1796931163 QLVJJPJJNBFQAB-FAODYONGSA-N 474.517 2.258 10 20 JECD CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800715874 UTXFVKNTWJHEAM-QDMKHBRRSA-N 493.969 2.256 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)[C@H]1CC[C@@H]2CCC(=O)N2C1 1800718182 LKSOHXURJOIQAY-RDDKANTKSA-N 461.946 2.404 10 20 JECD O=C(CCc1ccccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1801525971 QTGKUSCIMGZZFL-HBNMSFMJSA-N 478.524 2.141 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807993126 DLAZNPVKZPEEBK-BLIXFSHQSA-N 497.552 2.217 10 20 JECD CC(C)(O)CC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808468681 XFZVPDYTRFLHGH-FDDCHVKYSA-N 463.538 2.041 10 20 JECD N[C@H](CC(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1)c1cccnc1 1809885122 XSBHBXMBYKTMJT-JOCHJYFZSA-N 488.592 2.496 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc2cnccc2[nH]1 1809998417 YXILJQJBCJPXRZ-NYHFZMIOSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)C(=O)Nc1cccnc1 1810464997 HGBOLBGGSIWYTC-FOIQADDNSA-N 495.923 2.500 10 20 JECD CC[C@H](C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)N(CC)CC 1814185194 NDGMUIKRXXXTLU-OPYAIIAOSA-N 491.683 2.068 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(Cl)c1)CC2)c1cc(O)nc(O)c1 1816721368 KAWWNRJODBCBBC-JTQLQIEISA-N 461.887 2.243 10 20 JECD C[C@@H](Nc1nccs1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816724735 DYBLUUWPZQDIMJ-KOLCDFICSA-N 460.541 2.132 10 20 JECD CC[C@H](C)[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817363696 LYXHNFNLGHZKNP-MNVSYLFESA-N 469.567 2.255 10 20 JECD Cc1cc(NC(=O)CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)no1 1827427889 VDJRXZMJDFZZLB-KRWDZBQOSA-N 471.514 2.051 10 20 JECD CCC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1828128363 ZZEBVASFTGSRLQ-YJBOKZPZSA-N 496.593 2.153 10 20 JECD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)n1 1829063767 QMNOBSURSHKONR-LJQANCHMSA-N 483.569 2.027 10 20 JECD NC(=O)c1ccccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1830609359 CPRUOEHYIGRCFE-IBGZPJMESA-N 452.511 2.139 10 20 JECD O=C(CCCC(F)(F)F)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1833666298 ICZMGZZHBHRPBL-UHFFFAOYSA-N 494.605 2.151 10 20 JECD CSc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1838287870 GQCVHNJMWXBIJJ-QFIPXVFZSA-N 493.969 2.252 10 20 JECD Cc1ncc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)s1 1839433114 LLPYKNUIVPAFPV-UHQIAATHSA-N 493.969 2.300 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433559 XHQPIYBDFOKQEU-GYCJOSAFSA-N 489.956 2.095 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3ccc4occc4c3)C2)C1 1840880970 WCYSVSUMAIZWOE-GBFLMCMZSA-N 494.500 2.333 10 20 JECD C[C@H](Sc1cccs1)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1844170244 AQYREWLPHXIJPH-LBPRGKRZSA-N 455.652 2.292 10 20 JECD O=C(CN1C(=O)c2ccccc2C1=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 11249436 LRCRNAXKEYTOMH-VCHYOVAHSA-N 495.538 2.029 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)c4ccc(F)cc4F)CC3)cc2)C1 727033062 PFYXHZNOYKSPHU-GOSISDBHSA-N 485.535 2.334 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 728302250 VFXVPRXCRUQYLC-UHFFFAOYSA-N 471.501 2.479 10 20 JECD Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C)n1-c1cccc(C(C)C)c1 728699415 UJTBHEUEXYVTGP-PKTZIBPZSA-N 459.612 2.445 10 20 JECD CCN(CC)c1ccc(CNC(=O)N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1F 731363359 FLLCIJHAJQAGIO-OAHLLOKOSA-N 479.578 2.406 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(-n4cncn4)c(Cl)c3)CC2)cc1 750340244 HHXVIDXZQHKBRL-UHFFFAOYSA-N 497.987 2.196 10 20 JECD C[C@@H](OC(=O)Cn1c(=O)nc(O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 809011911 KOARJJUQUSFQBQ-CQSZACIVSA-N 497.463 2.448 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H](C)NC(=O)c2cccs2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 812868396 VLQIHRWCZXADNU-CQSZACIVSA-N 489.575 2.347 10 20 JECD CCN(CC)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)cc1 916503117 RTYBWDKSVAQOLV-UHFFFAOYSA-N 472.611 2.316 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@H](c3cccs3)N3CCOCC3)cc2)C1 918118399 QYXUYHBINUNTJV-TZIWHRDSSA-N 471.627 2.323 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(C(=O)NC(C)C)cc3)CC2)cc1 918249714 KAKRXRGKUUQZPX-UHFFFAOYSA-N 481.597 2.100 10 20 JECD C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 920879855 WBLVLBKKXGKNGH-GOSISDBHSA-N 459.568 2.035 10 20 JECD C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccc(N2CCOCC2)cc1 920888740 ZNPITFMVGMFFFH-AVRDEDQJSA-N 473.595 2.472 10 20 JECD COCCN1C(=O)/C(=C/Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)C(=O)NC1=S 920978771 QQPMBSCIMHHJLR-QGOAFFKASA-N 488.591 2.290 10 20 JECD CN(C)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)c2ccccc12 1777811989 GJXXMIOXAQOMMT-AREMUKBSSA-N 476.533 2.469 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCCC1(F)F)C2)c1cc(O)nc(O)c1 1777849318 SOCQFZFNLTWUNF-GCKMJXCFSA-N 453.486 2.446 10 20 JECD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc(Cl)n1 1779794222 GNRVBVYTDGLBSM-UUCGHWEQSA-N 489.912 2.017 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1cccnc1)C2)c1cc(O)c(O)c(Cl)c1 1781119278 DZGWJBYMEYNFFV-AUSIDOKSSA-N 475.929 2.353 10 20 JECD Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)nc2ccccn12 1782005361 AVPQPOZTNNYVDP-QHCPKHFHSA-N 470.913 2.465 10 20 JECD COc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c1F 1783089243 NTZFLTRSHWDXAS-UZUQRXQVSA-N 459.474 2.082 10 20 JECD Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1 1789558669 VWRCGGDUTCSPNY-IOKJFNJESA-N 452.507 2.419 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3sccc3F)C[C@@H]21 1792217859 SEISFFQXMPENOP-FKYOHGGQSA-N 462.499 2.311 10 20 JECD O=C(/C=C/c1ccc(F)cc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1793677478 XJRMUOOIKCEKLB-UMLGVZDMSA-N 494.498 2.361 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc2cc(-c3ccccc3)ccn2n1 1796088198 GSQFJLIOQGUJBL-NXKWYNOOSA-N 499.527 2.325 10 20 JECD CCOc1ncccc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1802319642 UWKYIMCYOFQEAP-OXQOHEQNSA-N 499.618 2.055 10 20 JECD COc1ncc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1F 1804961713 WRAKCWHZHMOTNE-XOBRGWDASA-N 467.457 2.064 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3ccc(OC(F)F)cn3)C2)CC1 1807734770 XDZZJUITBDXQNP-UHFFFAOYSA-N 498.577 2.388 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)C1 1816725926 SDZNRZCBQXZMMG-ZDUSSCGKSA-N 489.554 2.042 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccn2nccc12 1821464487 CYLKSOPGSSJNTJ-MRXNPFEDSA-N 483.579 2.224 10 20 JECD O=C(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)Nc1ccc(F)cc1 1822417296 WSZVWPHBZFDTBA-AWEZNQCLSA-N 485.497 2.343 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)Cn2ccccc2=O)CC1 1827098962 PJPNILRMOQKSOD-CSNYQSHPSA-N 481.549 2.298 10 20 JECD Cc1oncc1C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828195478 ODINBQMRQIKNAX-QBODLPLBSA-N 456.480 2.496 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(Cl)cn1)CC2 1828244849 TVQFLGMDCYXHLW-SNVBAGLBSA-N 482.012 2.278 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCOC2)CC1 1832376858 MQXIKDIDZPSTNP-SIKLNZKXSA-N 452.555 2.436 10 20 JECD CC(=O)C[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900866 YGPSQHBUEKWYES-YOEHRIQHSA-N 453.630 2.082 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cnccc3[nH]1)CCO2 1837105170 KRNNCYCIOKGUGC-HSZRJFAPSA-N 486.912 2.011 10 20 JECD CSCC[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838687817 DXIFYBVKLWWDHL-GOSISDBHSA-N 487.018 2.477 10 20 JECD COC(=O)c1ccccc1CCC(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843440799 BMQBOUFMLYBTQT-UHFFFAOYSA-N 488.544 2.402 10 20 JECD O=C(c1cc(O)nc(Cl)c1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441284 LGOYIHZTJBMLRS-UHFFFAOYSA-N 453.886 2.051 10 20 JECD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1844703176 YSNFMANWIBHBTL-WEVVVXLNSA-N 482.493 2.308 10 20 JECD O=C(/C=C/c1ccc(Cn2ccnc2)cc1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056783 NFMGMCRMNUGANN-VOTSOKGWSA-N 495.630 2.008 10 20 JECD O=C(COc1ccccc1)NCC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 8625848 ULTSZZTUXCJJGD-UHFFFAOYSA-N 472.453 2.139 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cc1F 731409520 VBRLFGHLLZVITQ-UHFFFAOYSA-N 493.605 2.243 10 20 JECD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 745298127 GTXYGJMMRIHYKX-UHFFFAOYSA-N 484.528 2.162 10 20 JECD C[C@@H](OC(=O)c1cc(S(N)(=O)=O)ccc1F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 825157964 FUQCVIUGERIQAL-GFCCVEGCSA-N 496.472 2.433 10 20 JECD NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1F 915462936 OLPNLINNCYJNNL-UHFFFAOYSA-N 482.445 2.044 10 20 JECD Cc1cc(CC(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)c(C)n1-c1ccc(Cl)cc1 919012140 XPUOJFMIEMGFRD-UHFFFAOYSA-N 474.989 2.066 10 20 JECD C[C@@H](NC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 920868441 DTSRHKDZAYKLLR-HXUWFJFHSA-N 472.611 2.441 10 20 JECD C[C@H](NC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)c1ccc(N2CCOCC2)cc1 920869676 VHKOFBPHRPXJDN-RTWAWAEBSA-N 457.619 2.312 10 20 JECD C[C@@H](Nc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 920870521 LTZFQVSOUUAFST-QGZVFWFLSA-N 477.587 2.444 10 20 JECD O=C(Cc1cc(F)ccc1Cl)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1784927063 PLPDYULRCTVEIV-IWEFOYFVSA-N 463.893 2.121 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(OCC4CC4)cc3)C2)C1 1785159078 XEWBIMDOCKQRIP-DEOSSOPVSA-N 453.495 2.039 10 20 JECD O=C(Cc1ccc2ccccc2c1)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785538226 MCQRSCDLNRJRBJ-DEOSSOPVSA-N 483.615 2.073 10 20 JECD CC(C)c1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)no1 1790243001 LEZVKFIUTLKZIZ-JDFRZJQESA-N 478.933 2.094 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccs3)C[C@@H]21 1792218814 BVPJXNVGBKBWHK-USDOSNGCSA-N 458.536 2.101 10 20 JECD Cc1cc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)nn1C 1792314063 ONCZTUMKMARAQV-UHFFFAOYSA-N 457.581 2.337 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cnc2ccc(F)cn12 1800065191 PNJNSYQKZLKOHR-DBWKPXFBSA-N 474.876 2.055 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1csnn1 1803758023 WJBCHTPBXBCLDI-CVCWVKEYSA-N 467.507 2.083 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2noc3c2CCCC3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994601 VSXCVUVRGUZHPD-OYHNWAKOSA-N 463.494 2.388 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c(C)n1C 1811237725 DXAYYMFHRHIYAJ-UWJYYQICSA-N 485.635 2.217 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)no2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811805852 DWDORROCIAVKID-KPZWWZAWSA-N 458.858 2.473 10 20 JECD CC(=O)c1cc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n[nH]1 1814162419 JULIVMFSNBLGIO-CJOSSSAMSA-N 491.504 2.157 10 20 JECD C[C@@]1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)CC1(F)F 1823404276 ZKTOEMVVNGKDLD-GTNSWQLSSA-N 457.528 2.307 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)c3cnn4c3CCC4)sc2C1 1824057999 PFADJVHLGGOSKQ-GBVBUYCNSA-N 481.534 2.342 10 20 JECD O=C(CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)N1CCCC1 1827423758 GCGDVRIIAGZSPQ-IBGZPJMESA-N 458.559 2.129 10 20 JECD Cc1nnc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)o1 1827715651 NWFRMAOBBWKHFM-NRFANRHFSA-N 478.553 2.333 10 20 JECD O=C(c1ccn2ccnc2c1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901630 GNRCIEIPRWHBRV-SFHVURJKSA-N 485.635 2.428 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1839433550 WZAGQRKBMZISFT-INIZCTEOSA-N 488.151 2.191 10 20 JECD COc1ccccc1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1839955231 NBHOIWWSCGMBAB-DEOSSOPVSA-N 490.940 2.073 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)CCCC(F)(F)F)C2)C1 1840880170 ZXXWGIIVRMIJSZ-KOXUSJRISA-N 488.459 2.006 10 20 JECD C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CC=CCC1 1840881532 GEYANBJOZWENOS-CJZHKSBQSA-N 472.538 2.019 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1841888184 UFQQLLYLRGRKLE-HSZRJFAPSA-N 471.561 2.039 10 20 JECD CC(C)(C)OC(=O)NCCOCCC(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845500511 JRTCNNHOKPVQOM-UHFFFAOYSA-N 497.976 2.500 10 20 JECD O=C(c1n[nH]c2cccc(F)c12)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039516 XUFNPCHOQUKPSY-SOFGYWHQSA-N 452.442 2.349 10 20 JECD CN(C)[C@H](C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1)c1ccccc1Cl 1847055055 AFIIBEUBYOWJSN-SFHVURJKSA-N 481.043 2.006 10 20 JECD COc1cccc(-c2cc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)CN3C(=O)CSC3=S)c[nH]2)c1 1848317821 NQYYSERKMINUFR-OALUTQOASA-N 484.603 2.366 10 20 JECD CCOC(=O)N1CCC(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)CC1 18195241 MZLVTHLSPOOCDO-UHFFFAOYSA-N 464.474 2.356 10 20 JECD Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3nc(-c4ccc(S(C)(=O)=O)cc4)cs3)ccc21 727244769 FOODOKINQVBCBM-UHFFFAOYSA-N 478.577 2.205 10 20 JECD COc1ccc(N2CCC(NC(=O)N3CCN(CC(=O)NC4CCCCC4)CC3)CC2)cc1 728751238 NBKLKYNBXCDCBI-UHFFFAOYSA-N 457.619 2.440 10 20 JECD COc1ccc(N2CCN(CCNC(=O)COc3cccc(NC(=O)C4CC4)c3)CC2)cc1 742921174 ZGXZDGBEKVTUSE-UHFFFAOYSA-N 452.555 2.361 10 20 JECD COC(=O)c1ccc(S(=O)(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c(C)c1 747837371 KKOFAPZHDNUSGK-UHFFFAOYSA-N 461.584 2.281 10 20 JECD CCS(=O)(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 748055212 GCFDUZMHTDVNEI-FYWRMAATSA-N 473.667 2.223 10 20 JECD COC(=O)c1csc(S(=O)(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 749255077 XATACJJBXFDNOL-UHFFFAOYSA-N 453.586 2.034 10 20 JECD COC[C@H](C)NC(=O)NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 789353605 ZTAPKNWMUMWSLW-NSHDSACASA-N 458.854 2.133 10 20 JECD C[C@@H](OC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C(=O)N1CCC(C(N)=O)CC1 913362747 XEHQPAFAURGTIL-OPCAMPFDSA-N 495.648 2.385 10 20 JECD Cc1cccc(-c2nnc(S)n2CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 916676873 HOJMIPSFFHANDC-UHFFFAOYSA-N 471.608 2.093 10 20 JECD CC(C)(C)OC(=O)N1CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 917411333 GMBQIJVMMUYXFM-UHFFFAOYSA-N 450.555 2.221 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC3CCN(Cc4ccccn4)CC3)cc2)C1 918011062 OCWWOADIHZNJQT-FQEVSTJZSA-N 450.587 2.247 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)N3CCCC[C@H]3CNS(C)(=O)=O)cc2F)C[C@@H](C)O1 918220024 GNCAOUHMJNJUSL-JZXOWHBKSA-N 456.584 2.053 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 918340059 KFQFEMCPRLCWCK-FQEVSTJZSA-N 473.570 2.229 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1cccc(Cl)c1-n1cncn1 918440556 SFLKDICLCJWEPS-UHFFFAOYSA-N 472.908 2.276 10 20 JECD Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c(C)n1-c1ccc(F)cc1 918569230 UYFYBFFWUJNLAI-UHFFFAOYSA-N 474.514 2.072 10 20 JECD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCc3ccc(N4CCSCC4)cc3)CC2)c1 919815927 IBYPWGDTEOPKAD-UHFFFAOYSA-N 488.679 2.316 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 919968622 KOFHMYUSXYECFT-FQEVSTJZSA-N 465.550 2.336 10 20 JECD CCOCCOc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 920351100 OZXXSFFCSRFHCC-IBGZPJMESA-N 461.584 2.282 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4cccn4cn3)C2)C1 1778050622 IAMQBRWSMBBRDX-JOCHJYFZSA-N 456.886 2.156 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)Cc3ccc4c(c3)CCCO4)C2)C1 1778272450 WXWUPHOULSTWNQ-RSCNSQJMSA-N 494.544 2.214 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccnn1-c1ccccc1 1778396503 GMQKCFPQMXRDOB-CJFMBICVSA-N 477.521 2.120 10 20 JECD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)n1cccc1C=O 1782002797 WNVVBPFASWRFQV-PEBXRYMYSA-N 461.902 2.070 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(F)(F)Cl)C1 1782348839 GHBPLJDESGVHBL-DOTAZXDHSA-N 460.861 2.162 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c(F)cncc1F)C2 1783221537 DLCBKADVHCGIRQ-RVGDXEIMSA-N 489.475 2.318 10 20 JECD O=C(CSc1ccc(F)cc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1784416263 OAVXEZFXIUIAMM-NUTKFTJISA-N 479.505 2.157 10 20 JECD Cc1onc(-c2ccncn2)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799769097 MBCQSZQJTPFJCF-HBCWATKFSA-N 499.911 2.022 10 20 JECD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2 1800182719 RFDLPEKUMCTCLS-FZKCQIBNSA-N 497.976 2.279 10 20 JECD CC(C)(C)c1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802080355 VQSVGICYGRBUMA-HHVYCJAJSA-N 481.549 2.413 10 20 JECD CC(C)(C)c1ncccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804333303 GIBWUCSAHPQTEO-QDMKHBRRSA-N 460.625 2.491 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1nccc2occc12 1807795209 RNOLAGJNASIAMG-VFNWGFHPSA-N 495.586 2.403 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)n1cccc1C=O 1807992858 DONPVRGRNBVOLP-ULYRPOKDSA-N 463.494 2.083 10 20 JECD O=C1Cc2cc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)ccc2N1 1807995917 LAHLHMKFXJVGTH-QMHKHESXSA-N 473.489 2.016 10 20 JECD CC(C)N(C)CC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814165509 GPFLCYACAGPYPW-FDXNHCMWSA-N 468.554 2.258 10 20 JECD O=C(Cc1cc([N+](=O)[O-])ccc1F)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816721035 DLKRODKMJANNCO-LBPRGKRZSA-N 487.469 2.465 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)c3ccc4nncn4c3)sc2C1 1819182525 SVMHILQOXOULBM-VSZOKUSCSA-N 492.517 2.242 10 20 JECD Cc1nccn1CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1821733806 LETOFXZHGYOSKC-JKNJVXJCSA-N 466.498 2.437 10 20 JECD CCn1nc(C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823497299 CIHOJZQGXVSVSW-AWEZNQCLSA-N 475.600 2.101 10 20 JECD Cn1c(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)cccc1=O 1823708450 ZRCBUNIXXXVPFN-NSHDSACASA-N 474.926 2.446 10 20 JECD COc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)ccc1[N+](=O)[O-] 1827833606 NSMJJYJIOYQKGS-LBPRGKRZSA-N 485.478 2.406 10 20 JECD Cc1c(F)cccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1830164375 MPRUZQFWTJKFPN-VQEXNLMWSA-N 486.496 2.034 10 20 JECD N=C(N)SCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877468 MTXIPNAXOGNTOE-QQOXCAACSA-N 476.599 2.453 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)C(=O)c1ccco1 1833756345 QWRXSPGWZIMWPC-UHFFFAOYSA-N 475.929 2.412 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncc[nH]4)C3)C2)cc1 1839348451 BOMQHFQCNWIVQZ-VWLOTQADSA-N 463.538 2.201 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)C1 1839432704 XRDKKBBCRHASOY-QFIPXVFZSA-N 477.901 2.000 10 20 JECD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)c1ccccn1 1840504626 ZTFGGHCOMCVEIK-IQMFZBJNSA-N 475.929 2.020 10 20 JECD CSc1cc2c(cc1NC(=O)C(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)OCCO2 726291118 BIVQQEBKCBXYGQ-INIZCTEOSA-N 484.578 2.136 10 20 JECD COc1ccc(N2CCC(NC(=O)N3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)CC2)cc1 726715257 LDJZZLDLDZHBJM-UHFFFAOYSA-N 488.610 2.389 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3cc(C(=O)O)ccc3F)CC2)cc1 748959319 JSWVWOSCFGEANH-UHFFFAOYSA-N 451.520 2.023 10 20 JECD CN1CCN(CCCNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 914442334 BROCYZAQGBNIOV-BMRADRMJSA-N 452.671 2.483 10 20 JECD C[C@@H](OC(=O)CCCN1C(=O)CCC1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 915557896 LDJQVQKNFCQKNQ-CQSZACIVSA-N 462.458 2.261 10 20 JECD COc1ccc(N2CCN(CC(=O)NCCN3C(=O)S/C(=C\c4cccnc4)C3=O)CC2)cc1 916144139 KOUBCIZIIUVMQT-QNGOZBTKSA-N 481.578 2.065 10 20 JECD CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1=O 916458164 XMOCFRZQHZLAQP-UHFFFAOYSA-N 490.482 2.355 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CC(=O)N(Cc4ccc(C)cc4)C3)nc12 918831143 WTWDAXAQEHTXTL-MRXNPFEDSA-N 452.467 2.012 10 20 JECD O=C(COC(=O)COc1ccc(N2CCCC2=O)cc1)NCc1ccc(N2CCOCC2)c(F)c1 918906028 MZIIGOWESGNQBF-UHFFFAOYSA-N 485.512 2.028 10 20 JECD CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 919064468 SOTHKMUYHAMXNB-QJISPJEISA-N 495.648 2.400 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)cc2F)C[C@@H](C)O1 919084542 GESXKWDJZYLIPT-JZXOWHBKSA-N 463.550 2.246 10 20 JECD COc1cc(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc(OC)c1 919799460 DHVJYRNOYRKXSL-UHFFFAOYSA-N 494.527 2.214 10 20 JECD CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 919971480 ZZUUTYVBHJTLBG-UHFFFAOYSA-N 455.939 2.278 10 20 JECD CN1CCCC[C@@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1780593446 UGHOTJBPAFMYBA-LYHRCORUSA-N 465.978 2.363 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)cc1 1781752405 NCPOSXAUUDOBGK-LVXARBLLSA-N 464.566 2.064 10 20 JECD COc1cc(F)ccc1C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1784914218 AAZFSJQAKGFWKC-VWLOTQADSA-N 480.496 2.071 10 20 JECD COc1ccc(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1 1792217798 KESYVVYWXMMFHM-UCADUOSCSA-N 482.533 2.427 10 20 JECD O=C(Cc1cc(F)ccc1Cl)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1793739124 FNGLIKSSQGODNB-VKJSYOCJSA-N 490.915 2.441 10 20 JECD COc1ccc(OCC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1802816220 ZHBLOVSWXZNLMK-OSPHWJPCSA-N 478.505 2.295 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)n1cccc1C=O 1807386669 DWOZXUQXYUDLNY-ZWWNWMABSA-N 463.494 2.083 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCOC2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469566 PIKQNSITIUDDEJ-SKPFHBQLSA-N 475.549 2.307 10 20 JECD CC(=O)N(C)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811797058 ANOSMRVYOUNMHS-KKSFZXQISA-N 474.945 2.334 10 20 JECD COc1cccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1811843380 DITYMMYDISJFJP-DYESRHJHSA-N 484.603 2.270 10 20 JECD C[C@H](Cn1ccnc1)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813411668 MEZXECZANBOFJU-ZJCBTPCYSA-N 499.575 2.413 10 20 JECD O=C(C[C@@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815609545 NNDGKMAHHBHCIE-DZGCQCFKSA-N 465.601 2.221 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1819764065 NCZGFCZISZCIED-CQSZACIVSA-N 481.534 2.205 10 20 JECD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1)n1cnnn1 1821295210 IHVGIFVBHRFCJY-QMTHXVAHSA-N 460.882 2.028 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2)N1CCN(C)CC1 1822692551 JPRSVRHMFIYOOA-JSGCOSHPSA-N 494.017 2.069 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)C(=O)c2ccccc2)[nH]n1 1823497318 VMTQMRXXPMVBSM-HNNXBMFYSA-N 471.564 2.145 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccn3n2)[nH]n1 1823498000 KMYSQFGGIGEZFE-MRXNPFEDSA-N 483.579 2.224 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cccn4nccc34)sc2C1)c1cc(O)nc(O)c1 1824076007 VVZPFMKNWZHDDP-GFCCVEGCSA-N 450.480 2.137 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cnnc(Cl)c2)CC1 1825347103 VMIVKTAWUAJQAW-OAHLLOKOSA-N 482.031 2.224 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(=O)n2O)CC1 1825492169 CFFAQFSJDSKGIC-OAQYLSRUSA-N 491.548 2.112 10 20 JECD CC[C@@H](NC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715339 LPODKLOYQUSQEM-IRLDBZIGSA-N 453.587 2.397 10 20 JECD Cc1noc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)n1 1827715916 VQBVLBYWIPKILL-NRFANRHFSA-N 478.553 2.333 10 20 JECD Cc1ccc(CCC(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)nc1 1828240630 XYJLHUSAACHPAN-CQSZACIVSA-N 489.648 2.252 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1Cl)CC2 1828244894 WGDHIDJJQDPMOH-VIFPVBQESA-N 482.012 2.278 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccnc3c2OCO3)CC1 1829602474 GSKRFNUFBZHDPB-QGZVFWFLSA-N 454.483 2.164 10 20 JECD C[C@@H](CC(N)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830738971 ZBRTUEDVAJKCSR-SUMWQHHRSA-N 451.951 2.496 10 20 JECD NC(=O)c1nccnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739636 NVHIBIWEIIPAHU-INIZCTEOSA-N 487.944 2.187 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1839951637 LLYMYXAOASYWBO-UPCLLVRISA-N 490.940 2.289 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441864 SHONJXWFMJERGX-UHFFFAOYSA-N 473.533 2.012 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)C1 1845368300 UYTSPQRQNTVLDW-UHFFFAOYSA-N 498.495 2.424 10 20 JECD CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C1=O 9945841 DAMPFOORVAWQAT-DEOSSOPVSA-N 469.494 2.312 10 20 JECD COc1ccc(N2CCC(NC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 726609644 AALDVHJKTSSUEU-UHFFFAOYSA-N 488.610 2.184 10 20 JECD CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 727602093 YYFUZDCNSCESQE-QGZVFWFLSA-N 460.600 2.364 10 20 JECD CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCc1cccc(OC)c1O 729547766 NAVVXQUWYLMWPG-UHFFFAOYSA-N 465.528 2.142 10 20 JECD O=C(COC(=O)c1cnnn1-c1ccccc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 744700761 BTUQISDJUHRVES-UHFFFAOYSA-N 473.892 2.370 10 20 JECD CN(C)c1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 748095464 FURLKODZRNDEME-UHFFFAOYSA-N 474.583 2.130 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc4c(c3)CCCN4C(C)=O)CC2)cc1 750340169 GGYRXLIXVRPJSR-UHFFFAOYSA-N 493.608 2.261 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)CC2)cc1 849192552 ZDCWCGQYSXXMBI-UHFFFAOYSA-N 479.541 2.435 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C[C@@H](NC(N)=O)c3ccccc3C)CC2)cc1 914445950 OPUVCQMPDWYCLZ-HSZRJFAPSA-N 453.587 2.432 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)CC2)cc1 916688144 RFUBLLJRFRKRIK-UHFFFAOYSA-N 480.569 2.081 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnc(O)n3C[C@H]3CCCO3)cc2F)C[C@@H](C)O1 917184063 AVPGWWOFXLBEFU-HLLBOEOZSA-N 479.578 2.324 10 20 JECD Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 917394423 RKSQSKPXRAJBAU-MJGOQNOKSA-N 480.034 2.196 10 20 JECD COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 917734779 FLYIDWHSFWWYPA-UHFFFAOYSA-N 461.949 2.157 10 20 JECD CCOC(=O)C1CCN(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 917917957 LAJREJUCHUFMLA-IYBDPMFKSA-N 457.568 2.049 10 20 JECD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 918134991 ONKWCUMQKWXARY-UHFFFAOYSA-N 477.631 2.118 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)cc2)C1 918463601 LHZWSUBAKBBBEF-KRWDZBQOSA-N 497.983 2.423 10 20 JECD CCNC(=O)COc1ccc(NC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 920255178 RVAYPTDYYKRKQO-SEYXRHQNSA-N 466.538 2.054 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3ccoc3cn1)C2)c1cc(O)nc(O)c1 1777852204 HUXSVQWGNMDYAA-WZONZLPQSA-N 452.467 2.075 10 20 JECD CCc1oncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778126356 SVLGRALMTCNMLU-PXDATVDWSA-N 479.537 2.157 10 20 JECD O=C1CCc2ccc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)cc2N1 1782513430 JCYQIOPAMDSOEW-XMMPIXPASA-N 485.924 2.393 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)C1CCSCC1 1783296845 YTWVJVQRJAQETN-OFAFLBDBSA-N 476.595 2.474 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3ccc(O)cn3)cc2)CCC1 1787585395 JYODJFZLZWNTOH-UHFFFAOYSA-N 456.549 2.395 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)C(=O)CC4)C[C@@H]21 1792217622 BWKQDSMKIVHNJR-CLMZSQMUSA-N 492.528 2.239 10 20 JECD CO[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1)c1ccccc1 1792218473 GXXBZMGGCIZTAZ-KLQKXZHKSA-N 482.533 2.184 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNc3ccc(F)cc3)C[C@@H]21 1792218990 XVSVBUKVZLIKGD-MIGYXXLQSA-N 485.512 2.048 10 20 JECD COc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1F 1792221135 FTOZCBSNFWSZSD-PFAFGPMFSA-N 486.496 2.258 10 20 JECD Cc1cnc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)cn1 1792313844 ABMHIOZRXYZYEL-UHFFFAOYSA-N 455.565 2.393 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796602706 UXNWUYXQDWKLLK-BOWFFEGRSA-N 472.542 2.144 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cccnc1-c1ccc(F)cc1 1798704487 FRIZDEZPXPDVKX-FAQVEIGNSA-N 478.480 2.211 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccnc2C(N)=O)C3)cc1 1799620043 LUHQAORIMLRHPQ-JHDGKUDLSA-N 487.560 2.105 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n[nH]1 1808469481 OVHNXJGLPJNEPY-WZONZLPQSA-N 471.521 2.226 10 20 JECD Cc1nc[nH]c1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1808687763 RKKNOIXUFJOKHC-VJZFYYHCSA-N 463.494 2.263 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cn2cc(F)ccc2n1 1809847177 JYIGIBHAHMQYDE-OYHNWAKOSA-N 476.468 2.308 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccncc1Cl 1810738430 JDVGKDBBXABJEI-AUUYWEPGSA-N 490.010 2.310 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)C2CCSCC2)[C@@H]1c1cccnc1 1814192206 UPKUYHCNFRBRGC-VQIMIIECSA-N 478.665 2.091 10 20 JECD COC(=O)c1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1 1816728475 QBTANVZKRLSXFY-OAHLLOKOSA-N 482.518 2.204 10 20 JECD O=C(CCN1Cc2ccccc2C1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1818717302 XJLVVCPQQVKFRR-OAHLLOKOSA-N 493.545 2.221 10 20 JECD Cc1ccc(OCC(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc1 1828242217 FCSMQCBADADSAT-CYBMUJFWSA-N 490.632 2.303 10 20 JECD COC(=O)c1ccc(OCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)cc1 1828463353 CGWYMZIDNRTAFK-AWEZNQCLSA-N 498.517 2.041 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2nn[nH]c2C(F)(F)F)CC1 1829792828 YWNSGLITAJXWJF-CYBMUJFWSA-N 468.436 2.177 10 20 JECD CN1CCCC[C@H]1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833321600 CAMFRGHKEZCQPH-FQEVSTJZSA-N 479.021 2.421 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838030317 MVHSSLJOTFXFBX-UHFFFAOYSA-N 492.573 2.018 10 20 JECD COc1ccsc1C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838506457 NGGSOCGAMNTHLX-UHFFFAOYSA-N 497.664 2.229 10 20 JECD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)ccc1C 1838988053 QVUBCWKZGBSIGW-DEOSSOPVSA-N 490.940 2.452 10 20 JECD O=C(c1ccc2nc[nH]c2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433393 GGUWVTKICGRKPK-QHCPKHFHSA-N 486.912 2.011 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1844254940 WNEOVYDZQVGTHQ-UHFFFAOYSA-N 473.533 2.012 10 20 JECD Cc1cc(Br)sc1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1844801513 AFRFOZOWUZFXBI-UHFFFAOYSA-N 488.454 2.496 10 20 JECD CCOc1ccc(NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1S(=O)(=O)N(C)C 105774563 YJOHJNUKKMTTJU-UHFFFAOYSA-N 476.599 2.105 10 20 JECD NS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 731058860 DODOFXRRSPYEQQ-UHFFFAOYSA-N 464.550 2.143 10 20 JECD CCNC(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 918288942 YBZJJNYASHQDRG-CALCHBBNSA-N 486.544 2.209 10 20 JECD Cc1sc(=O)n(CC(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C 920413188 PBUFEOINXMRCBN-KBPBESRZSA-N 465.547 2.139 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc(-n4cnnn4)c3)n2)cc1 1251531182 YOVWTORDNYRZKS-UHFFFAOYSA-N 455.525 2.223 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009081 QQAXMVDWWVFFRU-MCMMXHMISA-N 483.949 2.108 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)[C@@H](O)c3ccco3)cc2)CCC1 1785858157 HQHNZZKXJZOMON-SFHVURJKSA-N 459.549 2.307 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc4ncccc34)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540194 MXEQTFHFURVUJT-HYVJGQCMSA-N 498.543 2.016 10 20 JECD CC(C)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1)c1ccccn1 1787541492 RBKSEQGNBRQZQH-VCOUNFBDSA-N 489.576 2.132 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccncc1-c1ccccc1 1789079021 JNRZVHMZNZEDIU-HSQYWUDLSA-N 474.517 2.462 10 20 JECD COc1cc(OC)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1 1789550017 LFJBSGQPQMOAOH-KIANVHPZSA-N 498.532 2.127 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccccn3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242105 MFQJDQKFYLTYCA-VHFSOBRXSA-N 459.930 2.372 10 20 JECD O=C(Cc1cccc(F)c1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1790983620 SNTLRUQZMFRLCM-SBTJSFKZSA-N 488.487 2.317 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)CNC(=O)c3ccco3)CCC2)cc1 1792313764 CJRVDZKQUNAXGZ-UHFFFAOYSA-N 486.575 2.004 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C3=NN(c5ccccc5)C(=O)C3)C4)c21 1799118137 KJUPDGGWVPJXMN-VBUUOAMHSA-N 486.532 2.324 10 20 JECD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(F)c1F 1801744711 VDFKQJWNTGMKSP-BSUGAHGASA-N 474.460 2.307 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(F)(F)F)ccn1)C2 1802080273 LYBMVRSYZNXTHJ-IEEJQYOHSA-N 493.438 2.134 10 20 JECD COc1cc(Cl)ccc1CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804335914 FZFYLYXRDWEYLQ-MUJYYYPQSA-N 482.027 2.390 10 20 JECD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cn1 1805248897 RPOYHXABDCZENI-DVECYGJZSA-N 483.532 2.293 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470755 YAEOOYLOTVXWQL-UQMUGGJDSA-N 483.532 2.317 10 20 JECD CCO/C=C/C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813248021 FVERWINKVDYAGH-RURASTEDSA-N 461.522 2.431 10 20 JECD Cn1cccc1C(=O)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813477691 QDQUFBOIVNFYDT-CYFREDJKSA-N 498.543 2.102 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)COc2ccccc2)[C@H]1c1cccnc1 1814185495 CBHHWYYDCJXNCT-VGSWGCGISA-N 484.603 2.027 10 20 JECD COc1ccccc1CC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814189406 GWOVMAXDWXFGTD-MBSDFSHPSA-N 498.630 2.199 10 20 JECD Cn1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)c1=O 1818145991 QANIXTMANPEJOQ-FQEVSTJZSA-N 487.520 2.207 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ncccc1F 1819978309 PKAOSFPRXPKKTD-CYBMUJFWSA-N 462.532 2.110 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccc2nccn12 1821485916 ZKIVVKNUHHSUFE-AWEZNQCLSA-N 483.579 2.224 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1cccc(N2CCOCC2)c1 1823426766 SCMNADCIRPKSBX-INIZCTEOSA-N 495.561 2.326 10 20 JECD CCN(CC)C[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823499819 ZGOPATBRVMUMPA-ZBFHGGJFSA-N 480.660 2.240 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1829096733 DFSZPAQKUOVNEC-GRWKNNQQSA-N 471.554 2.127 10 20 JECD O=C(CCC1CCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1831076077 HAGOTKFYOZZCSR-JOCHJYFZSA-N 452.935 2.402 10 20 JECD O=C(CC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898153 BXWGVLHABNASDP-CYBMUJFWSA-N 451.536 2.419 10 20 JECD O=C(C1CCC(O)CC1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899328 DSQMTJUDDOVSQE-ABHNRTSZSA-N 467.657 2.018 10 20 JECD Cc1nc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)o1 1832902086 XNKPMQZEBKBYCI-MRXNPFEDSA-N 464.613 2.385 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CCCC(F)(F)F)CC2)CC1)c1cc(O)nc(O)c1 1834985615 LTPOPIGWVSYMGW-UHFFFAOYSA-N 458.481 2.411 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@]2(C)CCCN2)CCO3)cc1 1839122734 AWRJEVOYUFHXAS-KAYWLYCHSA-N 480.609 2.306 10 20 JECD CC[C@H](C)[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843330673 LSTDNPIWLUBTSC-IOMROCGXSA-N 488.629 2.315 10 20 JECD Cc1nccn1CC(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331251 BMINFTDSYUYMSQ-OAQYLSRUSA-N 496.612 2.113 10 20 JECD COc1cccc(CCC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)n1 1847033954 QRQZWXKUQPZPET-JXMROGBWSA-N 453.495 2.056 10 20 JECD COC(=O)CCOc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 726726884 CWXHATYZCXXZCO-UHFFFAOYSA-N 455.511 2.361 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)c1 729063097 YBKZGXJKINCDHO-CYBMUJFWSA-N 461.902 2.343 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)c1 729536337 YZAIKXQVZUKHQM-AWEZNQCLSA-N 487.534 2.167 10 20 JECD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCc1ccc(N2CCCCC2)cc1 742830796 NTNHLNKIQUNNTM-UHFFFAOYSA-N 459.568 2.433 10 20 JECD NS(=O)(=O)Cc1cccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 748977636 SYCYNSYDTBXQMV-UHFFFAOYSA-N 478.482 2.046 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3ccc(F)c(NS(C)(=O)=O)c3)CC2)cc1 750720599 NXUDWYJMFUITMN-UHFFFAOYSA-N 464.563 2.148 10 20 JECD CCOc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OCC 751348317 ZZZFVWGOGVMZGH-UHFFFAOYSA-N 495.573 2.054 10 20 JECD C[C@@H](OC(=O)c1csc(S(N)(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 760640486 YRZVOFUHZFFYQZ-LLVKDONJSA-N 484.511 2.355 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 916697799 YQGZQBALQAQDFG-UHFFFAOYSA-N 492.573 2.347 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cc(C4CC4)nc4c3c(C)nn4C)nc12 918935686 FLQYPYAMZPOYME-UHFFFAOYSA-N 450.455 2.436 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 919878635 UBRWOLONGVENJR-UHFFFAOYSA-N 495.623 2.213 10 20 JECD Cc1nnc(SCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)o1 1317731513 XBVSIGLHXRBZNA-AUWJEWJLSA-N 464.550 2.216 10 20 JECD O=C(CS[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1779088196 LCWSPDZGQBTJBV-RXVVDRJESA-N 470.975 2.455 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1[C@H]2C=CS[C@@H]21 1781538084 XQFKSTXZJNDCEI-GDNZRDOGSA-N 472.563 2.206 10 20 JECD O=C(CNc1ccc(F)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782002630 UOSJGZDTOMXIOW-QFIPXVFZSA-N 463.893 2.446 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(F)cc(F)c1F 1782978843 WVLAGZXWHSDTDI-OPAMFIHVSA-N 465.428 2.351 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)cccc3F)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540212 NVLIOGWJMDSNNM-WJPUGNRLSA-N 482.487 2.351 10 20 JECD COc1cncc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)c1 1790243013 NEDMZKKUNPPHBI-XERREHJYSA-N 489.956 2.381 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CC(=O)C1)C2 1796748678 DIIGSAYWVDYUSF-XAPVIXHLSA-N 484.597 2.322 10 20 JECD Cc1nccn1CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796935616 WZSZWKVBAWMHAF-NUZGMZIFSA-N 462.554 2.403 10 20 JECD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)nc2ccccn12 1799768462 PMKWOLFWRKLXQC-YVWYUNDQSA-N 470.913 2.224 10 20 JECD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)ccc(F)c1F 1801749527 PTKMCSOIZJYHCH-GCZWLPJRSA-N 474.460 2.307 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3sccc3[nH]1)C2 1802079643 OEMAOPBMRMLYCS-JOTXDYOYSA-N 469.519 2.263 10 20 JECD COC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1802598308 CCTMFJOKJRUOEC-GCJKJVERSA-N 463.538 2.305 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cnco1 1803872756 IYAPUOOCJIWZPA-XGBCVQCSSA-N 450.451 2.219 10 20 JECD Cc1nnc(CCC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)s1 1804558949 JIPFCHMNABBBIL-QVKFZJNVSA-N 468.539 2.000 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccn3cncc3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996148 MHBWTAPTXOMOHP-HTAPYJJXSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(-c2ccncc2)[nH]n1 1810879553 BZBDDKFELHPOQO-SBUREZEXSA-N 485.504 2.306 10 20 JECD COC(=O)C1(C(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)CC1 1811809169 HNUAEONMLSGQAX-RDTXWAMCSA-N 473.913 2.419 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc3c(c2)COC3)[C@@H]1c1cccnc1 1814189595 SUODSYILJZFJSF-VGOFRKELSA-N 496.614 2.292 10 20 JECD COc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cc1O 1817843656 VHHCQLYPNVEETR-MRXNPFEDSA-N 467.482 2.479 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1820740643 BCEITWZEXGDRAL-OAHLLOKOSA-N 474.518 2.435 10 20 JECD Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)n(C(F)F)n1 1823499852 ARTAUOOQEYRWBI-GFCCVEGCSA-N 497.553 2.476 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)n1 1825413505 NHKAPUPEDLNMGH-LJQANCHMSA-N 467.526 2.393 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)C3CC4(CCC4)C3)sc2C1 1827375618 YNCOSXMJUGKOHL-GFCCVEGCSA-N 464.638 2.496 10 20 JECD NC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)c1ccccc1 1827425933 DLZPWCDPAJUGPR-LEWJYISDSA-N 452.555 2.469 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)CC1 1827574363 OOKRFWNLJGYOEU-JOCHJYFZSA-N 462.554 2.365 10 20 JECD CC(C)c1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)on1 1828247606 ZTLUORQJCYNRQS-SNVBAGLBSA-N 479.609 2.341 10 20 JECD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)c[nH]1 1835132890 YGUJMHOHXXYZJY-UHFFFAOYSA-N 476.581 2.301 10 20 JECD CCOCCC(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838814399 SNEHVMJOECAXOZ-GQCTYLIASA-N 462.543 2.242 10 20 JECD CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)CCOC1 1845208486 FCUNKBXSMKPHFS-QHCPKHFHSA-N 495.960 2.252 10 20 JECD CCS(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 104995233 WMKXTVPLZYWDET-OAHLLOKOSA-N 498.557 2.394 10 20 JECD Cc1nn(C)c2ncc(S(=O)(=O)NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)cc12 725826793 GCJYACCFBMODOR-UHFFFAOYSA-N 496.572 2.011 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(N(C)S(C)(=O)=O)CC3)cc2F)C[C@@H](C)O1 725863266 BSVZKXMOYRKKJQ-HZPDHXFCSA-N 456.584 2.005 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cc(F)c(S(C)(=O)=O)c(F)c3)CC2)cc1 727614990 FZRZEKMMSORWJO-UHFFFAOYSA-N 467.494 2.054 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 744906309 GKLCWCALDCJBOU-UHFFFAOYSA-N 461.607 2.217 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cccc(CS(=O)(=O)NC(C)(C)C)c3)nc12 746635522 FWLKLJQTZOMNGE-UHFFFAOYSA-N 490.538 2.187 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(N2CCOCC2)n1CC(F)(F)F 748152301 ULUYTKAMYJNJSL-UHFFFAOYSA-N 472.537 2.494 10 20 JECD Cc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)c(O)c1O 750620975 KYOPTESOYYMKHM-UHFFFAOYSA-N 475.523 2.453 10 20 JECD C[C@@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)Nc1ccc(C(N)=O)cc1 797355014 NTGYXCDQINPBRP-GFCCVEGCSA-N 457.442 2.327 10 20 JECD COc1ccc(N2CCN(CCCNc3ccc(S(C)(=O)=O)cc3S(C)(=O)=O)CC2)cc1 799557327 VPESHFNRPOUIAY-UHFFFAOYSA-N 481.640 2.126 10 20 JECD CCN(CC)c1ccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NCC(F)(F)F)c2=O)cc1 914579662 BKLRQBKWZCIMHQ-UHFFFAOYSA-N 481.540 2.023 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)c2C)cc1 914657901 YVHIKKUELRMLRQ-AZUAARDMSA-N 472.563 2.164 10 20 JECD CCn1c(SCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nnc1N1CCOCC1 917198096 AJEUXORBDNNTOV-IRXDYDNUSA-N 492.621 2.296 10 20 JECD Cc1oc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1S(=O)(=O)N1CCCC1 917709274 SAQMPKHDLGPIKH-UHFFFAOYSA-N 451.520 2.278 10 20 JECD CC(C)NS(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 918031084 KEBOKBVSUOQWJT-SFHVURJKSA-N 473.599 2.397 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CN3c4cccc5cccc(c45)S3(=O)=O)nc12 918978889 MYGJEXNQORKWII-UHFFFAOYSA-N 482.474 2.017 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@H](C(C)C)n3nnc(-c4ccccc4)n3)CC2)cc1 919738598 SWRBXMGAOFVINM-QHCPKHFHSA-N 478.553 2.438 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cccc4c3OCCO4)C2)C1 1777837954 OOZWDORQLDIBRQ-QHCPKHFHSA-N 474.897 2.280 10 20 JECD O=C(COc1ccc(F)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004902 POQBXCLWGSXOLY-JOCHJYFZSA-N 464.877 2.413 10 20 JECD O=C(CCN1Cc2ccccc2C1=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005657 SYUHZUXKJFIHIK-VWLOTQADSA-N 499.951 2.241 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4c(Cl)cccc34)C2)C1 1782458460 TVQXFIZHVQRLKT-NRFANRHFSA-N 493.010 2.125 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnc3ccccc13)C2 1783248227 UPDSQWZRFWBNPU-NTKDMRAZSA-N 498.630 2.223 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4ccccc43)C2)C1 1784106646 KEWBNCKSVDOMPP-AJTFRIOCSA-N 472.545 2.339 10 20 JECD C[C@@H](Cc1ccc(F)cc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787294475 SPOLYOPQZOUUIZ-QHERXFFYSA-N 457.502 2.104 10 20 JECD COc1ccc(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1 1787540282 SAVCOUBOVXEIHU-OEOAZWSVSA-N 490.560 2.390 10 20 JECD Cn1cc(CCC(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)cn1 1788179528 JKMYREZITJQWPS-UHFFFAOYSA-N 471.608 2.347 10 20 JECD C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)[C@H]1SC(=N)NC1=O 1788634172 OHVQULGRAVPHLZ-APPDUMDISA-N 469.523 2.043 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4cnccc4n3)C[C@@H]21 1792219259 NPWZBAMMKAZKBS-WFUMMYSLSA-N 490.516 2.053 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccoc3)C[C@@H]21 1792221408 WXTBFQQQKKEYRW-PZBSYTJWSA-N 456.495 2.022 10 20 JECD CCCC(=O)N[C@H](C)C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792315304 ZUIKOTJLSKSSTQ-CQSZACIVSA-N 476.624 2.286 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1801982072 SVAHLSGDXZINLD-BOWFFEGRSA-N 472.542 2.144 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cccnc1Cl 1802283254 VLKHBGGVZMRMSX-KDOFPFPSSA-N 490.010 2.310 10 20 JECD CC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1802550631 XPKMLXQKWIBGGS-BPAFIMBUSA-N 474.945 2.381 10 20 JECD COC(=O)c1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1807997725 DKSZWOYSBKKMLH-YADARESESA-N 490.516 2.237 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3cncn3-c3ccncc3)CC2)C1 1810543054 PAHBOUFPVNNBIR-UHFFFAOYSA-N 462.510 2.232 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc(O)cc1F 1811055781 HXCRWDPWBPYQGK-SPLOXXLWSA-N 452.442 2.366 10 20 JECD CN1CCCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162489 SRJBUHSLZXKQAG-RLGANHRTSA-N 480.565 2.402 10 20 JECD Cc1ccncc1CCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814185244 OADCFAOUIJKEHY-WMZHIEFXSA-N 497.646 2.284 10 20 JECD Cc1cnc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1814185278 ARTSMKFJROAIRR-WMLDXEAASA-N 475.621 2.026 10 20 JECD C[C@H](CC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)NC(=O)OC(C)(C)C 1816725105 KCSSIXZIFGHXNL-YPMHNXCESA-N 491.570 2.478 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CNC(=O)C(F)(F)F)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821295219 INJTZWIFIRQAQC-LBPRGKRZSA-N 489.838 2.459 10 20 JECD O=C(CC[C@H]1CCOC1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1823033642 WUQAFGRIRHHKPR-ZFWWWQNUSA-N 465.601 2.079 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC3)cc1 1823440633 UQWNXLQPKAULKV-HKUYNNGSSA-N 494.621 2.369 10 20 JECD O=C(CCn1ccnn1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823713546 OQZMMQBLEKASNV-LLVKDONJSA-N 462.919 2.115 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cnn3c2OCCC3)CC1 1830879223 MICAXNSAUCDRGH-SFHVURJKSA-N 455.515 2.019 10 20 JECD CCN1CCC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1832955398 OYKIYVLNRUOEDM-IBGZPJMESA-N 480.700 2.198 10 20 JECD Cc1cnc(Cl)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1834557560 XCDVVATWORLHLO-JOCHJYFZSA-N 496.347 2.492 10 20 JECD Cc1nc2sccn2c1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1835624170 FOADXVCOMSAHQI-UHFFFAOYSA-N 484.582 2.009 10 20 JECD COc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1C 1839435376 JCXSLJZVFJFQTG-DEOSSOPVSA-N 490.940 2.452 10 20 JECD C[C@H](C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2)n1ccnc1 1841465796 OQIJJIKLKFYDHA-WIYYLYMNSA-N 496.612 2.366 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@H]3CSCN3C(=O)OC(C)(C)C)CC2)cc1 727150936 NZTFOBGHXBYXSA-LJQANCHMSA-N 450.605 2.243 10 20 JECD Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3nc(-c4ccc(NS(C)(=O)=O)cc4)cs3)ccc21 727244604 DHAHBJVAKMYGTE-UHFFFAOYSA-N 493.592 2.173 10 20 JECD Cc1cc(C(=O)NC2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)c(C)o1 727437822 YKLCBWSQHYNQKV-UHFFFAOYSA-N 472.561 2.383 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc(-n3cnnc3)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 727518841 KLIBAUUPLNBFQX-UHFFFAOYSA-N 479.518 2.362 10 20 JECD CC[C@H](C)[C@@H](NC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)OC 747880260 DGSHEUYBYXULFD-HXPMCKFVSA-N 482.445 2.231 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)cc2F)C[C@@H](C)O1 748461886 RVSHRCYKBGTGBT-BGYRXZFFSA-N 498.603 2.372 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1)c1ccc(N2CCOCC2)cc1 749034041 RHTZXBPMBQERNG-SFHVURJKSA-N 479.581 2.041 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cc(S(C)(=O)=O)ccc3Cl)CC2)cc1 782179011 KYSWQZHDZBJBAJ-UHFFFAOYSA-N 466.943 2.258 10 20 JECD CC/C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)=C1/C(=O)NC(=S)N(CCOC)C1=O 814336819 KYXCGNRYIBQRHC-VHEBQXMUSA-N 463.515 2.428 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1OC 917758130 JCIOJRQKGHYBFJ-UHFFFAOYSA-N 457.505 2.281 10 20 JECD COc1ccc(C)cc1N1C[C@@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1=O 917832752 FXUUWRHJPRARPT-PMACEKPBSA-N 464.566 2.375 10 20 JECD CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2=O)cc1 918831140 WSZZRHVFEQABJX-IBGZPJMESA-N 499.539 2.274 10 20 JECD Cc1cccc2c(=O)n(CC(=O)OCC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cnc12 919026839 CIJGVCDHCURLTN-QZTJIDSGSA-N 496.539 2.317 10 20 JECD O=C(COC(=O)c1ccc2c(c1)CCCC(=O)N2)NCc1ccc(N2CCOCC2)c(F)c1 919109874 NYYMKJKFBQWJKT-UHFFFAOYSA-N 455.486 2.410 10 20 JECD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2ccccc2O1 920923505 RFPOTMYQNWDHHV-MBSDFSHPSA-N 480.565 2.021 10 20 JECD Cc1cc(C)n2ncc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)c2n1 1777778268 URBUCUYBEOQELZ-HSZRJFAPSA-N 485.928 2.168 10 20 JECD COc1ccc2c(c1)CC[C@H](CC(=O)N1CC[C@@]3(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO3)C2 1778227423 XDUZCRYAGNUBEQ-MRDQGFSESA-N 481.549 2.140 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)C2)C1 1781618515 KKMLEXLRDFNVPR-FQEVSTJZSA-N 469.391 2.408 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787538483 CFJXQONDXAAQCC-JMVFIXPQSA-N 474.508 2.194 10 20 JECD CCCC(=O)N[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1789634817 OMBMFWOGKIQQCL-AWEZNQCLSA-N 476.624 2.286 10 20 JECD CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 1790126084 QVQBICOSDGEJKK-MHFNLWBJSA-N 466.582 2.212 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@]1(C)CCCN1)C2 1796749454 XFCGLRZHEHLJBZ-ADSXRGQNSA-N 499.656 2.485 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NO[C@@H](c2ccccc2)C1 1797758767 VHXJCIHLRXLZIN-KYHPRHEASA-N 472.592 2.003 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccc2cnccc2c1 1804333165 GUIJCXKBORDVFQ-BCDXTJNWSA-N 454.577 2.347 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n(C)n1 1805639305 FYZGKWTWSSEKCG-NTKDMRAZSA-N 485.548 2.236 10 20 JECD COc1ncc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1C 1806097905 CTYGSFULWQFVTC-IIBYNOLFSA-N 463.494 2.233 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)CC1 1807994338 UMQHYIZLTDQATN-DSZJKHHPSA-N 482.537 2.187 10 20 JECD COc1ccc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)nn1 1811211531 UCLTUOLZHBPEGA-XDHOINAOSA-N 491.504 2.030 10 20 JECD CN1N=C(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)CCC1=O 1811797361 DJSLPBBRGXMKDG-VBKZILBWSA-N 485.928 2.074 10 20 JECD CC1(C)CC(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)C1 1813128350 BVEZUHCQEVRTKB-KXBFYZLASA-N 460.625 2.384 10 20 JECD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)no1 1813332227 PKRYJCDZIBOSLF-CLOONOSVSA-N 486.532 2.419 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)CCc2ccco2)[C@H]1c1cccnc1 1814184808 GQKQFADTWYNOSJ-KKSFZXQISA-N 472.592 2.174 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821291904 JMLRBZOUOSVBAC-AWEZNQCLSA-N 458.862 2.177 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cccn3cncc23)[nH]n1 1823499979 IGCGCRRUNOSORH-OAHLLOKOSA-N 483.579 2.224 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1825579986 HDBFJKCWQIIBTO-GUYCJALGSA-N 453.524 2.027 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cncc(F)c2)CC1 1826061802 YIGZZPJFDYDTQG-QGZVFWFLSA-N 464.588 2.314 10 20 JECD O=C(/C=C\C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)NC1CC1 1838365120 SOYUUKPTLUFZEN-ARJAWSKDSA-N 491.972 2.198 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)CC[C@@H]2CNc3ccccc3C2)C1 1842958415 QXYYYEFGTDHKNS-INIZCTEOSA-N 472.636 2.115 10 20 JECD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845502653 XJQYFPNNZSVPCL-LJQANCHMSA-N 489.931 2.455 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1F 731408892 ZMTYCVYGMLZLNY-UHFFFAOYSA-N 462.547 2.467 10 20 JECD COCCN1C(=O)/C(=C\NNc2ncnc3scc(-c4ccc(F)cc4)c23)C(=O)NC1=S 814318354 LJWRMOGFIROVBO-JYRVWZFOSA-N 472.527 2.188 10 20 JECD Cc1ccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1S(N)(=O)=O 913243504 NLIKAXXLWGMRBS-UHFFFAOYSA-N 478.482 2.213 10 20 JECD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1 916591444 MCDCZUCTQJWFLB-UHFFFAOYSA-N 478.479 2.141 10 20 JECD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 917834980 VWBJHDHGVOEMSE-QUCCMNQESA-N 490.651 2.228 10 20 JECD CN(CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(=O)c1ccc(Br)o1 917837536 XVRBGIRSUBJHHJ-OAHLLOKOSA-N 477.359 2.132 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 917919227 WIWTUUAOISLTEY-GASCZTMLSA-N 494.541 2.491 10 20 JECD O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919730300 TXXUPMOMKMFLPB-UHFFFAOYSA-N 486.529 2.470 10 20 JECD NC(=O)c1cn(CC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c2ccccc12 919761428 AOOYVPOTEZMOKJ-UHFFFAOYSA-N 487.539 2.312 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CSc3nnc(C4CCCCC4)n3N)CC2)cc1 919927413 NLVFNABYOSYIAS-UHFFFAOYSA-N 488.614 2.032 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCOc1ccc(F)cc1)C2)c1cc(O)nc(O)c1 1777846454 IIPDKPWOCYAVIP-NTKDMRAZSA-N 473.501 2.229 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cncc(O)c1)C2)c1cc(O)c(O)c(Cl)c1 1781123124 WFXNUYYMABYTJS-XMSQKQJNSA-N 461.902 2.293 10 20 JECD O=C(c1ccc(-n2cccn2)nc1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007645 VTUKCSJXKSIPMF-QHCPKHFHSA-N 483.912 2.089 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1784549017 XPPPYXVKVDRISX-JLCFBVMHSA-N 461.902 2.057 10 20 JECD Nc1nc2cc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)ccc2s1 1785509551 VTWMFWORCRLPAQ-FBUBFAHDSA-N 496.545 2.152 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccc2c(c1)OCCO2 1787811553 AGBSGOOWZFCNCA-HTZUNMPGSA-N 488.924 2.430 10 20 JECD O=C(CN1C(=O)CNC1=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790775959 XTUBGCCKMSMKKR-UHFFFAOYSA-N 472.885 2.051 10 20 JECD C[C@H](Nc1cnccn1)C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792315185 NTWMWKGZMNCLAS-AWEZNQCLSA-N 484.607 2.271 10 20 JECD COC(=O)[C@@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)C1 1793098946 LIGKLUJHPOPJQL-NDLGOLERSA-N 466.538 2.007 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1scnc1C1CC1 1794507820 DCUDBEQNIHRZKK-CWPLJXCYSA-N 479.562 2.017 10 20 JECD Cc1ccc2oc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2n1 1796479445 GPBBGSHXKAJVLW-XHNJZIHCSA-N 487.516 2.132 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc2cc(F)ccc2s1 1797424927 KJPYRJAAAWVABH-VTEUUUEMSA-N 457.483 2.364 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1csc(C(F)(F)F)n1 1798953466 GWOHBOKYBKKGNV-ILWJIGKKSA-N 478.543 2.274 10 20 JECD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)n(C(F)F)n1 1799769179 QFBHPWLPVYABMP-DRXBFXEBSA-N 470.860 2.168 10 20 JECD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc(C)c1O 1801700401 RVXIBAIARKJNEW-BBIADKPPSA-N 476.533 2.005 10 20 JECD CC(=O)NCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)C1 1806192253 WAUBIGBLCADASE-SOFGYWHQSA-N 473.570 2.210 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(OCCCO)cc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996105 XXRDGJSLRCSDGV-CYFREDJKSA-N 492.532 2.282 10 20 JECD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n[nH]1 1808468360 PVNCDWAENZQLOK-CLOONOSVSA-N 485.548 2.155 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2c(c1)OCCO2 1808993147 KIAJPBYNSRCTEA-HXOBKFHXSA-N 476.489 2.292 10 20 JECD COc1ncccc1CCC(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810547411 OFODXJPMQXRLOD-UHFFFAOYSA-N 454.527 2.374 10 20 JECD Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1O 1810653808 RAMFUUJJYGPKSH-UTKZUKDTSA-N 484.603 2.276 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@H]2CCCSC2)[C@@H]1c1cccnc1 1814190899 DEBCSRKKKBMZGZ-TXPKVOOTSA-N 478.665 2.091 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(Cl)c2)[nH]n1 1823495826 CHPAHJMNJVPMLT-GFCCVEGCSA-N 494.986 2.330 10 20 JECD CN1N=C(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CCC1=O 1827714513 CZSJWJRNMLKWPJ-QFIPXVFZSA-N 492.580 2.007 10 20 JECD O=C(c1cccc(=O)n1O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715449 URXFDLJHCHVRDM-OAQYLSRUSA-N 491.548 2.112 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cc(Cl)cn1)CC2 1828198436 DLEDWWMXCXJNEG-NHEDYWLLSA-N 489.941 2.435 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CNc3ccccc31)CC2 1828242887 UQUKNZCDTWNCNS-DGCLKSJQSA-N 487.632 2.125 10 20 JECD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899574 KCAVNEFXYZZFPQ-AWEZNQCLSA-N 480.568 2.281 10 20 JECD COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)s1 1833947669 IUFQCEZUIQFISY-UHFFFAOYSA-N 460.556 2.062 10 20 JECD COc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)s1 1837272180 AOYITXILSRPLHX-UHFFFAOYSA-N 461.540 2.489 10 20 JECD COc1cc(Br)ccc1CC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846462501 PHTVLGVNCJOVQH-UHFFFAOYSA-N 476.327 2.324 10 20 JECD COc1ccc(N2CCN(C(=O)COc3c(CO)cc(Br)cc3CO)CC2)cc1 727461122 TUNHVBOVVRSETD-UHFFFAOYSA-N 465.344 2.170 10 20 JECD O=C(COC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NC1CCOCC1 728092867 KYNQBUBWIWQEBU-DHDCSXOGSA-N 499.408 2.489 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 729055397 BMVDMFSEVLQNPK-UHFFFAOYSA-N 481.597 2.035 10 20 JECD CCN(C(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)[C@H]1CCS(=O)(=O)C1 731037236 YDVCQGIZGXSGGD-IBGZPJMESA-N 465.616 2.500 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCCN(C(=O)C3CCC3)C3CC3)cc2)C1 731364604 TZNWRFUASKQVJK-FQEVSTJZSA-N 455.603 2.369 10 20 JECD CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 744290019 VXNBNUTVJGLDIW-DLBZAZTESA-N 457.554 2.045 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cnnn3-c3ccccc3Cl)CC2)cc1 744700832 DFSYXZVTGWXNCL-UHFFFAOYSA-N 455.902 2.435 10 20 JECD C[C@H](OC(=O)c1ccc(CS(N)(=O)=O)cc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 746628540 MOSDCYXYYIGITE-AWEZNQCLSA-N 492.509 2.435 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1 857455754 NZSIRTCBGVTXEA-INIZCTEOSA-N 469.466 2.291 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 915481522 CLZXFJADZPBKJH-UHFFFAOYSA-N 486.590 2.240 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2F)C[C@@H](C)O1 917714290 UERSAGFYAGJPDE-OKILXGFUSA-N 470.457 2.260 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cccc(N2CCCCC2=O)c1 918284739 QQIQQDMLKLDIHK-UHFFFAOYSA-N 454.502 2.434 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)nc12 918905183 VPIBUCOVAXTHFZ-UHFFFAOYSA-N 488.447 2.485 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)cc2F)C[C@@H](C)O1 919093524 NMJBCJKBSSWCKW-FMKPAKJESA-N 489.466 2.010 10 20 JECD CCCS(=O)(=O)Nc1ccccc1C(=O)OCc1cc(O)n2ncc(C(=O)OCC)c2n1 919560290 QXVVCYIANLNREH-UHFFFAOYSA-N 462.484 2.120 10 20 JECD CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C2)C1 1779001768 IWRWGEUNFVGXFS-BVZFJXPGSA-N 491.585 2.164 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cncc3cnccc13)CCO2 1782007079 IXQUQISZCDIOKJ-HSZRJFAPSA-N 468.897 2.452 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4c3)C2)C1 1782386364 WEKMIFCLXNGALZ-JOCHJYFZSA-N 456.886 2.156 10 20 JECD Cc1ccc(C)c(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c1 1783245889 KPGWMUMICKFCQU-NTKDMRAZSA-N 489.663 2.220 10 20 JECD Cc1cc(F)cc(CC(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1784067552 VXSXHWBCEGNNFS-CMEKQAILSA-N 470.497 2.337 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)cc3Cl)C[C@@H]21)c1cc(O)nc(O)c1 1787294932 DWBYGHHSEMDWEL-KZDRFYRXSA-N 473.913 2.159 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c(C)n1 1787540090 CCMKWNUUFSFXIT-HARLFGEKSA-N 475.549 2.085 10 20 JECD CC1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)CC1 1790243172 VRYROCVGCBIIKH-KNBMTAEXSA-N 465.978 2.076 10 20 JECD C[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796480750 HNKLSOCXJJVKHK-RXPSNABZSA-N 492.551 2.387 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCc1ccccc1)C2)c1cc(O)c(O)c(Cl)c1 1799770834 MSQHMXMPMRSKKX-UPHUGPLXSA-N 460.914 2.171 10 20 JECD Cn1ccc2cccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=C/c3ccc(O)c(O)c3O)c21 1802079465 AUCRFYGGTSLDQV-HCSKGQDESA-N 477.517 2.212 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804291864 WPMYJZWACLUBDZ-FZAJAZDZSA-N 475.542 2.368 10 20 JECD N=C(N)SCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1807010286 TWPUJWJRZJTZDF-YVEFUNNKSA-N 463.947 2.092 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2CCc3sccc3C2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994220 SZGZIWWGHXSJSZ-XDHUDOTRSA-N 493.589 2.327 10 20 JECD O=C(c1ccc(OCCCO)cc1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810547204 SQODDBGSNKLXRF-UHFFFAOYSA-N 469.538 2.413 10 20 JECD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810550262 HCMSZXNAUWHOQS-ZWKOTPCHSA-N 457.527 2.093 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(-c2ccccn2)[nH]n1 1810929260 OGOCDDIMNZRJES-QMHKHESXSA-N 485.504 2.306 10 20 JECD Cc1nc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)sc1C 1811259849 CAIIQUAAUOEBIB-CRAIPNDOSA-N 489.648 2.335 10 20 JECD CC(C)c1cc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)n[nH]1 1811510596 RMYHJCRDACKMMA-FOIQADDNSA-N 486.623 2.108 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(CO)on2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811806790 SKPYPCGNWHCLRU-ORAYPTAESA-N 472.885 2.260 10 20 JECD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162357 RITDTWINWNRHKA-IUOPVHLWSA-N 469.538 2.325 10 20 JECD Cc1nnsc1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814163494 DYQZFXZGBIVTNO-FOMSVSHPSA-N 481.534 2.391 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)N1C[C@@H]2C[C@H]2C1 1814164168 SMCFODCQDLYARS-VVAGQLTMSA-N 492.576 2.258 10 20 JECD COc1ccc(CCC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cn1 1816722198 UJUBFZWLQPERCY-AWEZNQCLSA-N 469.523 2.212 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(-n3cccn3)nc1)CC2)c1cc(O)nc(O)c1 1816726447 WELRAUGTPUPIBQ-CQSZACIVSA-N 477.506 2.070 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2csnn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818145710 HBJYJKUUFGJGQX-QGZVFWFLSA-N 464.511 2.360 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1cc(O)no1 1819873866 XTDISJCYZLHWDN-INIZCTEOSA-N 463.454 2.202 10 20 JECD Cn1cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)cn1 1822835400 QGBYZIWIOLINOP-HXUWFJFHSA-N 474.525 2.171 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)c2cncnc2)[nH]n1 1823477035 XVLBXWRENBYTMK-YERXGYGTSA-N 450.455 2.336 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cnc2O)[nH]n1 1823496574 KQUYGDKQVJVEJD-ZDUSSCGKSA-N 494.986 2.330 10 20 JECD O=C(CCn1ccnn1)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823713548 OQZMMQBLEKASNV-NSHDSACASA-N 462.919 2.115 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H]3CCC(=O)N3C2)CC1 1830208134 RMWZSGNOJAVMBH-IHPCNDPISA-N 470.570 2.127 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)ccc2O)CC1 1830764041 GDAPOAVRAHNVSS-QGZVFWFLSA-N 477.608 2.191 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](O)CC2)CC1 1831998313 WLMPXOAXPJKPRG-KZNAEPCWSA-N 467.657 2.018 10 20 JECD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)n1cncn1 1832204369 UUPXTFJHAYGFQZ-XMSQKQJNSA-N 477.569 2.252 10 20 JECD CC(=O)O[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)C(C)C 1832901935 GVFMMDIYWIHIOG-FXAWDEMLSA-N 483.656 2.054 10 20 JECD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccc(O)cc1 1834987178 FPGYJRYIDIPRID-MRXNPFEDSA-N 468.554 2.187 10 20 JECD CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846198201 URGBGMJZTDDIII-MRXNPFEDSA-N 460.531 2.099 10 20 JECD COc1cc(OC)cc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1 1847038452 SCMXEPKEFXOJDP-FNORWQNLSA-N 454.479 2.351 10 20 JECD CN(CCOc1cccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1)C1CCOCC1 728081848 CNPBZKUIQPCFGV-UHFFFAOYSA-N 477.583 2.183 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@H](C)NC(=O)OCc3ccccc3)CC2)cc1 750292966 JZGJHAZDDCGDMJ-SFHVURJKSA-N 455.511 2.202 10 20 JECD CCN(CC)C(=O)CN1CCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])CC1 836198914 PQCSYUFVQXRZBD-UHFFFAOYSA-N 474.312 2.265 10 20 JECD CC(C)OCCCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 918118363 ZZKYQVGSZOFOSJ-JOCHJYFZSA-N 487.645 2.241 10 20 JECD Cc1ncncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1779800039 QQZMKDDOJBAAPB-XMSQKQJNSA-N 460.918 2.291 10 20 JECD CCCC(=O)Nc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc1C 1780114778 KRSNEMLCOBVWRE-VWLOTQADSA-N 482.537 2.297 10 20 JECD CC(=O)Nc1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)ccc1C 1781914349 TXTUYRCYZVKGRP-AQBQYSGMSA-N 495.532 2.227 10 20 JECD Cc1cc(C)n(CCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)n1 1782009208 TWPJVLBEQXEMDE-QFIPXVFZSA-N 462.934 2.098 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)cn1 1783218228 FNMHLUOUBBVRGU-ZQPJQOKASA-N 483.521 2.048 10 20 JECD Cc1cc(C)n(CCC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)n1 1784320842 JCIWCEZHVKIXGI-QFIPXVFZSA-N 462.934 2.098 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(OCC4CC4)c(F)c3)C2)C1 1785256681 CPAVIDOREMYYHL-XMMPIXPASA-N 471.485 2.178 10 20 JECD COc1ccc([C@@H]2C[C@H]2C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785503248 FVSNJKYXCJOEJT-QTEJMCOKSA-N 494.544 2.459 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cc(Cl)ccn1)CCO2 1785507829 WJTIWFLJZGLZSR-WYAMSBGYSA-N 459.886 2.009 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C(=O)O)ncn2)cc1 1794368466 LSABKIASFBLMDU-BBIADKPPSA-N 489.532 2.099 10 20 JECD O=C(Cc1cc(Br)ccc1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796604790 ODMJVRRUGRPGTL-MUJYYYPQSA-N 476.327 2.455 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccncc1C(F)(F)F 1797099257 AUQZBFLHUNTKNN-ZSBIGDGJSA-N 472.514 2.213 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)C1CCN(c2ccccc2)CC1 1804334827 XEYYVTVAPRBAJI-FNLKRUPLSA-N 486.663 2.402 10 20 JECD O=C(CCc1ccc(F)nc1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804442343 OKLWFRGSWFCMCW-UZUQRXQVSA-N 465.485 2.374 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)CCCc3ccncc3)C2)CC1 1807124809 ACKOIKXIKZCTBE-UHFFFAOYSA-N 474.652 2.496 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3cccnc3[nH]2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995166 DJMALVMLOPHAPE-HRAATJIYSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc3nccn23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998263 CCJYIVZTMPUNQA-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3[nH]cnc3-c3cccnc3)CC2)C1 1810546999 NNDBFZUXFGRFRW-UHFFFAOYSA-N 462.510 2.437 10 20 JECD CN(C)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816227873 LBQAORYXNRCBJO-MRXNPFEDSA-N 487.611 2.037 10 20 JECD Cc1ncc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)s1 1822742419 UTQGEJYQSISAPI-CQSZACIVSA-N 478.625 2.270 10 20 JECD NC(=O)c1ccccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428371 WMZUDXUARPLTBX-LJQANCHMSA-N 452.511 2.139 10 20 JECD Cc1ccc(CCC(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)nc1 1828240628 XYJLHUSAACHPAN-AWEZNQCLSA-N 489.648 2.252 10 20 JECD Cn1nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)c2c1CCC2 1828268518 DKJJNFBKGCXGEI-GOSISDBHSA-N 453.543 2.262 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)C3CCSCC3)sc2C1 1828342372 STGYUKUMJPGSSG-LLVKDONJSA-N 470.667 2.059 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cncn3c2)CC1 1828707145 MGWCDHAZPATFKA-LJQANCHMSA-N 485.635 2.428 10 20 JECD NC(=O)c1nccnc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739637 NVHIBIWEIIPAHU-MRXNPFEDSA-N 487.944 2.187 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3coc(Cl)n3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134631 OQMLVPOXLDOXJZ-UHFFFAOYSA-N 498.971 2.306 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031761 KSDGFTUXBKYVOK-OAHLLOKOSA-N 492.573 2.018 10 20 JECD O=C(CCOc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431583 AIHKKTPKYJGVGH-DEOSSOPVSA-N 490.940 2.290 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4o3)C2)C1 1839433611 ZUBYNTFXNKBPGS-QHCPKHFHSA-N 487.896 2.276 10 20 JECD C[C@H](CC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)NC(=O)OC(C)(C)C 1847038775 IIVLJVYVXXWILW-LOWQCSRCSA-N 475.542 2.323 10 20 JECD O=C(Cc1cc(Br)ccc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1847504616 UFAQCYVFHCIQQV-HOTGVXAUSA-N 491.298 2.222 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc(N3CCOCC3)nc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 10653150 BDTZXYLSCPIQPB-UHFFFAOYSA-N 498.561 2.013 10 20 JECD CN(C)c1ccc(CNC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 15832904 BCXMEGLIFLHNIP-UHFFFAOYSA-N 472.567 2.152 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCCCc3nnc4n3CCCCC4)CC2)cc1 727598396 AUMXMTBBOYTPLN-UHFFFAOYSA-N 469.634 2.457 10 20 JECD CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCCN1CCN(c3ccc(OC)cc3)CC1)C2=O 758162048 GSSYFYDOOUKSIG-UHFFFAOYSA-N 485.629 2.214 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3cccc(C(=O)NCC(F)(F)F)c3)cc2)C1 917930841 WRBNNGYGVXWLQW-KRWDZBQOSA-N 498.527 2.159 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@H](c3ccccc3)N3CCOCC3)cc2)C1 918004798 NIMXVCMGHXYASO-LADGPHEKSA-N 465.598 2.261 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cn2)CCO1 918117222 IUTABZWXSUIOPO-RXVVDRJESA-N 466.586 2.008 10 20 JECD CN(C)CCOc1ccc(CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 918117927 SZGBWMBGLMCKKJ-NRFANRHFSA-N 453.587 2.328 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1 918434554 PQPJYLXDWOSIKU-UHFFFAOYSA-N 452.555 2.189 10 20 JECD O=C(Nc1cccc(N2CCOCC2)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 918672103 ZRWYZOPMBJVQHP-UHFFFAOYSA-N 465.959 2.450 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)cc2F)C[C@@H](C)O1 918976647 LBBLNFJIKSOMLC-YWUSGSKHSA-N 479.574 2.053 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@@H](CO)c1ccccc1 919782837 FDJRMPKGQOXAHQ-NRFANRHFSA-N 450.518 2.475 10 20 JECD COCCN1C(=O)/C(=C/N[C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)C(=O)NC1=S 920979341 IGBXELIRRNNVDZ-LSSXRZCCSA-N 469.563 2.351 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CC3(CC(=O)N4CCOCC4)CCCC3)cc2)C1 1251133398 BBOWTWJJYHKOIO-NRFANRHFSA-N 470.614 2.204 10 20 JECD CCOC(=O)c1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)ccn1 1780324378 TXADHQPHBGFDHZ-HSZRJFAPSA-N 489.912 2.080 10 20 JECD CC(C)(Cc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1783977648 IBMUBNCJRKWATF-IHPCNDPISA-N 453.539 2.355 10 20 JECD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1785344258 IDQXEUYKUWWHAO-QMHKHESXSA-N 497.976 2.498 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)COc1cccc(Cl)c1)CCO2 1785503055 AGVXRBFDHAFAMO-SXBBHYFQSA-N 488.924 2.379 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1occc1Br)CCO2 1785505378 GQBGVSKSJZXEHU-XAFBZQIESA-N 493.310 2.316 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1nnc(-c3ccccc3)o1)CCO2 1785507836 WMDUMJHGEQQORB-CFSVISAESA-N 492.488 2.010 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)C1(C(F)(F)F)CCC1)CCO2 1785509107 NHJKCXDRMZBHOP-HQMUEHRGSA-N 470.444 2.379 10 20 JECD O=C(Cn1cc([N+](=O)[O-])cn1)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788424391 YQQNDCPEOGDTIJ-UHFFFAOYSA-N 452.427 2.045 10 20 JECD CN1CCN(C2(C(=O)NC3(c4ccc(NC(=O)c5cc(O)nc(O)c5)cc4)CCC3)CC2)CC1 1788427681 CDXMMYFYAMOZJH-UHFFFAOYSA-N 465.554 2.021 10 20 JECD CCOC(=O)C1(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)CC1 1792316204 VDTNRXBVVLOJMK-UHFFFAOYSA-N 475.592 2.324 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3cnccc13)C2)C1=NN(c2ccccc2)C(=O)C1 1796479336 BWLYPEUIXMBGCM-HBNMSFMJSA-N 483.528 2.231 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1798650234 JIEZKLNIQSBZFS-ZWGCQNANSA-N 452.511 2.350 10 20 JECD CC(=O)Nc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1O 1800827540 AFIOLXUBCWVRCN-FNLKRUPLSA-N 489.532 2.395 10 20 JECD COc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1802807198 DEJRMXRXYUOWQO-OSPHWJPCSA-N 478.505 2.295 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)C1=NO[C@H](c2ccccc2)C1 1804333195 HOSHHPFHCPNDJH-DFGXFYAUSA-N 472.592 2.003 10 20 JECD CN1CCC[C@H](C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)C1 1807546832 ZDRMETHCBQMRQO-WATLYSKOSA-N 488.592 2.222 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cocn2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808466897 CCCMHVHFRPLVEU-JTSKRJEESA-N 458.478 2.182 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)N1CSCSC1 1810401167 GGFFZPRWSLIVHS-IIMJZQEZSA-N 489.623 2.250 10 20 JECD CCCC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1810513723 HNUSGFXCVXULOT-NAKKSDAYSA-N 496.564 2.222 10 20 JECD Cc1cn2c(=O)c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)cnc2s1 1817845386 LOKGSQMEDAVMQE-OAHLLOKOSA-N 495.521 2.213 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c[nH]2)[nH]n1 1823499681 SSDPREHPVSDKSZ-ZDUSSCGKSA-N 450.521 2.043 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C(=O)O)ncn1)CC2)c1cc(O)c(O)c(Cl)c1 1823708201 OCMCUUBKRXWNNM-SECBINFHSA-N 489.897 2.236 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N3CCOCC3)cn2)CC1 1825574712 DIYUMAXDKAYLGE-JOCHJYFZSA-N 495.580 2.272 10 20 JECD Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1F 1833156939 WBAFHQALLKPJKG-UHFFFAOYSA-N 456.518 2.439 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1cc(O)nc(O)c1 1834987377 MSPULRMRIILATH-UHFFFAOYSA-N 490.944 2.056 10 20 JECD C[C@]1(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)CCCN1 1836384983 PNGXPBSUAAJDJI-HSZRJFAPSA-N 464.994 2.079 10 20 JECD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccccc1 1840881837 QJFJGQOWGWGYSB-XPHTUUDFSA-N 482.533 2.077 10 20 JECD COC(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1841108798 WWFLDPQOBWABCE-KRWDZBQOSA-N 491.585 2.162 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C3(C(=O)NC4CC4)CCC3)cc2F)C[C@H](C)O1 729737184 OYGXDYOIRGUPQA-HOTGVXAUSA-N 461.534 2.048 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCc3cccc(N4CCCC4=O)c3)CC2)cc1 742940778 XNZXBMXOAONRPI-UHFFFAOYSA-N 451.571 2.443 10 20 JECD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2)CC1 744906168 FVSLWTORRVQPEZ-HSZRJFAPSA-N 494.592 2.316 10 20 JECD O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 789851391 QIFPMSDZQCMTPJ-UHFFFAOYSA-N 487.424 2.282 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc3nc(O)[nH]c3c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 914927284 SSNVJEWBVQUNDJ-UHFFFAOYSA-N 468.491 2.363 10 20 JECD COc1ccc(S(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1C(N)=O 917918322 NZNGPABAKOHPBH-ZIAGYGMSSA-N 451.520 2.025 10 20 JECD Cc1nn(C)c2ncc(NC(=O)C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc12 918287622 QWWSSZBZZOCGHL-KBPBESRZSA-N 454.506 2.284 10 20 JECD C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1)n1cncn1 918440364 QRFHZBBOFWNEJE-QGZVFWFLSA-N 493.593 2.286 10 20 JECD CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)ccc1OC 919840774 WETFAJLJWJBLQN-UHFFFAOYSA-N 495.623 2.213 10 20 JECD COCCN1C(=O)/C(=C/Nc2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)C(=O)NC1=S 920974297 HMZNRMHPXRMPEW-SFQUDFHCSA-N 494.982 2.326 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)c4cc(O)nc(O)c4)C3)c2c1 1777848492 WYJZLDNOURPMNK-CJFMBICVSA-N 480.521 2.424 10 20 JECD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cn1C 1778285530 WKFNILBDDNSLQC-ATIYNZHBSA-N 477.565 2.254 10 20 JECD CC(=O)Nc1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)ccc1C 1781914351 TXTUYRCYZVKGRP-WHVGEVHXSA-N 495.532 2.227 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccs1)C2 1783220076 PSSOMHNWSAHWAW-MAOUNKGHSA-N 459.524 2.101 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3ncoc3c1)CCO2 1785506011 XMGVGKZJLPNCRI-ZNSATWQLSA-N 465.462 2.102 10 20 JECD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790246164 PLDJNWAZQGQBSR-GWKKSSCLSA-N 492.956 2.100 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 1792908985 XFOMEHLVXFRVTP-ADHGMGHFSA-N 461.584 2.428 10 20 JECD O=C(Cc1ccc(F)cc1C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1793707659 HOSIMMIRKGTKCO-VTEUUUEMSA-N 483.418 2.097 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ccccc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796481370 UGZQLPAQHLIQNP-MRSFGVLCSA-N 478.574 2.161 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(F)F)C2 1798418388 RINAUHXDAWCORV-QKPAOTATSA-N 483.512 2.437 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccc(O)cn1 1806110357 LWFFGNSOQYLURA-YXPIPHOMSA-N 476.489 2.332 10 20 JECD C[C@](O)(C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1)C(F)(F)F 1806479865 MHYAOPBGVFPOPM-NRFANRHFSA-N 480.487 2.324 10 20 JECD Cc1ccc(C(=O)C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1807999620 VGXPGCLNHGANKQ-GCJKJVERSA-N 460.490 2.399 10 20 JECD O=C(/C=C1\C(=O)Nc2ccccc21)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810186340 BKMZKEOEGASUMS-OXHNBYAVSA-N 485.500 2.243 10 20 JECD O=C(CS[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810348446 NUWMZEBHQWRYLD-KNXBSLHKSA-N 472.567 2.467 10 20 JECD CCc1cc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)nn1C 1811138677 HSFJETPCLHYFCN-DFBJGRDBSA-N 499.575 2.490 10 20 JECD Cc1n[nH]cc1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1811495903 UNWMVUYLNMQESC-IRUILINGSA-N 463.494 2.263 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cnn3c2CCC3)[C@@H]1c1cccnc1 1814166850 UPKUGSMDUKQTOV-BHIFORQISA-N 489.532 2.374 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cnc3ccoc3c2)[C@@H]1c1cccnc1 1814188989 IOSSFUKVGBBFSQ-QVKFZJNVSA-N 495.586 2.403 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816725978 QCDUEBIAPJZZDV-AWEZNQCLSA-N 481.534 2.205 10 20 JECD C[C@@H](Cn1ccnc1)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817366998 MNWQIFWCJWKMIU-JKSUJKDBSA-N 491.577 2.381 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1cc[n+]([O-])cc1 1820035550 NXKXUPWJVZOHFY-QQOXCAACSA-N 465.466 2.179 10 20 JECD NC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)c1ccccc1 1823497139 AIHCNKKITUTLCM-DOTOQJQBSA-N 486.623 2.005 10 20 JECD O=C(CCn1cncn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1826611094 NSMYYFKOMRBFSO-NSHDSACASA-N 462.919 2.115 10 20 JECD CCN(C)[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828197884 ODCPLSUMKYTRBN-POAKRYCBSA-N 460.556 2.226 10 20 JECD Cc1nnc(CC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)s1 1834855251 BLPHPVGHZMJELW-UHFFFAOYSA-N 494.017 2.339 10 20 JECD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)ccc1O 1834987366 MBEQLKYKVSJHBI-UHFFFAOYSA-N 454.527 2.006 10 20 JECD C[C@H](Sc1ccccn1)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988077 CGLOMMIJZRULEN-INIZCTEOSA-N 485.610 2.254 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3(F)CCC3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134016 VLHSZYZAJKTAKB-UHFFFAOYSA-N 469.561 2.243 10 20 JECD Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)n1 1839432617 SCNLVVOUQFJYOH-DEOSSOPVSA-N 489.956 2.157 10 20 JECD Cc1cc(CC(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)no1 1846557008 SXQPFWMFITUQFA-OAQYLSRUSA-N 497.596 2.447 10 20 JECD O=C(c1cn2cc(C(F)(F)F)ccc2n1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056577 RFHNCLLFBYCPTC-UHFFFAOYSA-N 497.524 2.030 10 20 JECD COc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1OC 747480320 FRNXCOBVFJUCHI-HXUWFJFHSA-N 491.610 2.256 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 748470816 PIAIFIBJBAZLJF-UHFFFAOYSA-N 458.559 2.470 10 20 JECD CCO[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 915501919 FGDXTYCNSKLEKX-SFHVURJKSA-N 478.567 2.266 10 20 JECD O=C1CSc2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2N1 918440312 QBVTURHYAPLMFW-UHFFFAOYSA-N 458.515 2.086 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@@H]1c2ccccc2C[C@H]1O 919785232 WHCQIUIJPZGSOB-DHIUTWEWSA-N 462.529 2.400 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3ccc(-n4nc(C)cc4C)nc3)CC2)cc1 920256217 SKSDLGUTSVWUAJ-ZHACJKMWSA-N 474.565 2.414 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnc(F)c1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127033 XBEOSLGQWCGILI-CJFMBICVSA-N 479.512 2.141 10 20 JECD CCC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1783189710 IMMCWUXJMJIEPH-GEQKSPFYSA-N 481.977 2.184 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3cc(Cl)ccc13)CCO2 1785505945 UNKJSKMHXADCSO-JGZGHEEISA-N 498.923 2.490 10 20 JECD O=C(CCN1C(=O)C=CC1=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788671551 XIKSJIUWZDSPKF-UHFFFAOYSA-N 499.527 2.229 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC3)[C@H]2C1 1791877286 YBOKQRAOJICOJV-UVUJQTEASA-N 486.613 2.094 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(Cl)s3)C[C@@H]21 1792218374 XDZKFEARDAHANY-CAVCPOLISA-N 479.942 2.220 10 20 JECD Cn1c(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc2ccccc21 1792816860 GZPWYUHADOVVAV-VXECKQGCSA-N 499.571 2.103 10 20 JECD CCC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)n1cccc1 1796381860 HIPIOWMUZGHLNF-OMXLDXBASA-N 477.565 2.212 10 20 JECD COc1cc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)ccn1 1796931183 SDDDFUYIKSDZBW-NUZGMZIFSA-N 475.549 2.454 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cc(O)cc([N+](=O)[O-])c1 1796933147 UDCFIOWVGNYRRK-VBUUOAMHSA-N 477.477 2.345 10 20 JECD COc1ccsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1798337043 WWSRNMYXSJAUPL-DRXBFXEBSA-N 452.916 2.338 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(OC2CCOCC2)n1)c1cc(O)nc(O)c1 1799061589 LLCLFJDYXFEZDV-BJWYYQGGSA-N 468.510 2.011 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)cc1 1799620468 MFJSDIXYNWHKFW-OPVJXMOQSA-N 478.509 2.242 10 20 JECD CC(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804289679 OWESAKSRADNGDD-CWVOJPKUSA-N 481.505 2.225 10 20 JECD COc1ccc2c(CC(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CN3C(=O)CSC3=S)c[nH]c2c1 1804334148 DPRMCELDYZRLJB-MUJYYYPQSA-N 486.619 2.218 10 20 JECD O=C(Cc1ccc2c(c1)OCO2)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1806677584 NRZLTENZMNMISC-MZNJEOGPSA-N 476.489 2.179 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807993193 FOKKNKBEMNEQSH-XPIZARPCSA-N 499.568 2.368 10 20 JECD Cn1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(C(F)F)n1 1807995148 CTMULAFOESQSMO-ORAYPTAESA-N 472.452 2.192 10 20 JECD O=C(c1ccc2c(c1)OCCO2)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810551393 KISLAQUTLMGMML-UHFFFAOYSA-N 453.495 2.423 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1812028422 UFVUZVCGANWVOO-QRQCRPRQSA-N 493.476 2.443 10 20 JECD CCO/C=C/C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813251493 DZHXSYWHUFFTFO-RSPKXVGVSA-N 453.495 2.468 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccncc2Cl)[C@H]1c1cccnc1 1814188819 AWQNSKDZATYIKG-LIRRHRJNSA-N 490.010 2.310 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)CC1 1816720531 XGCWDYRYISUTFD-YRGRVCCFSA-N 474.539 2.155 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)N1CSCSC1 1816726278 SGONMXOYNZHTIN-ZYHUDNBSSA-N 481.625 2.218 10 20 JECD O=C(CCN1CCOC1=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1818846561 XUCWIYHHOMWCBV-LJQANCHMSA-N 493.524 2.037 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cn4cc(F)ccc4n3)sc2C1)c1cc(O)nc(O)c1 1819104510 DYFKWYZVDXRMAB-GFCCVEGCSA-N 468.470 2.276 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccc(-n2cccn2)nc1 1819882919 QGDBLPZLUVCMAB-KRWDZBQOSA-N 474.481 2.416 10 20 JECD CCN(C)[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828197885 ODCPLSUMKYTRBN-VABZHALQSA-N 460.556 2.226 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCCO3)CC2 1828198807 KHBLFOXDNFCOEJ-LPZVBRGNSA-N 497.533 2.178 10 20 JECD O=C(Cc1ccc(F)cn1)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1834837993 MWUYVDNYBBUBIJ-QHHAFSJGSA-N 498.555 2.165 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)c3ccno3)CC2)CC1 1837463444 KBJXMMUBMKMTNX-DUXPYHPUSA-N 457.483 2.117 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847036773 CGJBUHMMBYUMRR-VMSUTVGLSA-N 487.553 2.420 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])C1 1847046181 SASHEGDBRSHANJ-UHFFFAOYSA-N 479.468 2.273 10 20 JECD COc1ccc(-c2cc(C(=O)N3CC4(CCCN4C(=O)CN4C(=O)CSC4=S)C3)no2)cc1 1847054672 UUQLZYBWDGAPDL-UHFFFAOYSA-N 486.575 2.028 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(NC(=O)[C@H](C)n4cncn4)cc3)CC2)cc1 726726237 QFGCIBWZXGDQOW-KRWDZBQOSA-N 491.552 2.210 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CS(=O)(=O)Nc3ccc(OC(C)C)cc3)CC2)cc1 742919905 LLXDUDOIRANHAX-UHFFFAOYSA-N 490.626 2.163 10 20 JECD Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)n2)cc1[N+](=O)[O-] 818023472 MAQPDYZWKGSXAG-UHFFFAOYSA-N 454.511 2.475 10 20 JECD COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 917707664 UBSOVYJPBPXNIQ-UHFFFAOYSA-N 491.585 2.388 10 20 JECD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)C2=O 917832083 IPCJTPQXQVVVDN-MIRXNBLZSA-N 483.613 2.141 10 20 JECD COc1ccc(C)cc1N1C[C@@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1=O 917832755 FXUUWRHJPRARPT-UXHICEINSA-N 464.566 2.375 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cn(-c4ccccc4Br)nn3)nc12 919092742 XMNDULWXTJFDTG-UHFFFAOYSA-N 487.270 2.312 10 20 JECD Cc1cc(C(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)c(C)n1-c1ccc(F)c(Cl)c1 919128205 AZKZEEHTNMOOCV-UHFFFAOYSA-N 482.921 2.325 10 20 JECD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 920482326 MRSRDCYOGPMTRD-AWEZNQCLSA-N 481.552 2.077 10 20 JECD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N/C=C2\C(=O)NC(=S)N(CC(C)C)C2=O)cc1 920980298 IAMBIVNIWBPBNE-GYZOOYGHSA-N 466.629 2.151 10 20 JECD O=S(=O)(c1ccc(NC(=S)NCCN2CCCc3ccccc32)cc1)N1CCOCC1 920994495 ZQOPDAZARCHDOM-UHFFFAOYSA-N 460.625 2.447 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)CCCO3)C2)c1cc(O)nc(O)c1 1777852205 XRBMLKWYKNRJGF-CJFMBICVSA-N 467.522 2.259 10 20 JECD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004521 ZCAHTSIMZYZXDS-QHCPKHFHSA-N 497.976 2.498 10 20 JECD Cc1ccc2[nH]cc(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)c2c1 1785180207 ROQDJFOBXVMSIW-ZRCAFCQKSA-N 464.522 2.119 10 20 JECD Cc1cc(C)n(CC(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)n1 1786897866 DOVMCYOGSUGEFR-UHFFFAOYSA-N 471.608 2.494 10 20 JECD CN(C)[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1)c1ccc(Cl)cc1 1787294136 CHUKFHWWWWAVAR-BCSOYYNPSA-N 488.972 2.042 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@H]1CCc2ccccc2[C@H]1O 1793038649 YIXUAOTZCYDXFH-PVNULFKGSA-N 486.952 2.250 10 20 JECD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2)n1cccc1C=O 1796199613 YRHPVIJATYDSNB-IZBJGVDFSA-N 461.522 2.293 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1799910544 PDUNOLIEOYYVJY-NCSHHQJSSA-N 475.542 2.368 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(Br)CC1)C2 1804288858 NPAWZTQEAQTEJC-LJWNITHASA-N 451.317 2.382 10 20 JECD C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804291135 FASGQSDJBVJBCW-SZANIVAYSA-N 479.533 2.273 10 20 JECD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cn1 1805248899 RPOYHXABDCZENI-YADARESESA-N 483.532 2.293 10 20 JECD Cc1nscc1C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1807856577 QJWYFHGTSOZVEI-UHFFFAOYSA-N 452.627 2.157 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnc(C(F)(F)F)cn2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993406 KGSYDKZRUFSPCK-BFUOFWGJSA-N 488.426 2.330 10 20 JECD CC(C)(C)NCC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808468516 RWVKSJIFQNURMT-NTKDMRAZSA-N 476.581 2.268 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)C1CCC(O)CC1 1813194522 QYCOWTNLELVUPD-HAMABDSMSA-N 489.576 2.431 10 20 JECD CC(C)(C)NCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814161921 CTQDNSLPIHUOFT-SXVOPIBFSA-N 468.554 2.306 10 20 JECD CC[S@](=O)CCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814164107 QYDHOYACYSLFRJ-CXIBAWOTSA-N 487.578 2.076 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)/C=C/c2cnccn2)[C@@H]1c1cccnc1 1814166625 REZVMQZSAXVRCB-PBPAEKTESA-N 487.516 2.421 10 20 JECD Cc1cnn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)c1 1815764127 HAACMYAZBCPNTE-RRFAQUSLSA-N 469.523 2.090 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccnc3ncccc13)CC2)c1cc(O)nc(O)c1 1816728237 BWCDLOZZIKWZST-GFCCVEGCSA-N 462.491 2.432 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)N1C[C@@H]2C[C@H]2C1 1817361878 KUQRPWSZUFTKSZ-LTIDMASMSA-N 492.605 2.188 10 20 JECD N[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1)c1ccccn1 1818146729 ZPKNJSQHDSWDJU-NFBKMPQASA-N 486.536 2.290 10 20 JECD CN1CCc2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cc(O)nc(O)c3)CC4)ccc21 1818419177 GXKPHPOSSGLTMU-HNNXBMFYSA-N 465.535 2.481 10 20 JECD CC[S@](=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1819510789 QEGWPNYNRIYTOA-GSLRCMBYSA-N 487.607 2.007 10 20 JECD Cc1nc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)sc1C 1821149103 SDHCXNRPLXUTLJ-JTQLQIEISA-N 481.650 2.303 10 20 JECD Cc1cnn(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)c1 1823475556 WZSNXNHPMVRCIF-DBWMJRBXSA-N 466.498 2.437 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccncc2F)[nH]n1 1823498212 NXHTUMYZWYCPKV-AWEZNQCLSA-N 462.532 2.110 10 20 JECD Cc1nccn1[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823501530 SZLLWCBRZCOMAK-SWLSCSKDSA-N 475.600 2.028 10 20 JECD CC(C)CNC(=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823710850 MRTYGVQCHWOJGP-NSHDSACASA-N 466.947 2.206 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnn3c1CCC3)CC2 1828197721 GYPKQRZKAGAQLX-FLUIGGAXSA-N 481.534 2.342 10 20 JECD O=C(c1cc[n+]([O-])cc1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877354 XUVFXZZKTJZGMW-CYXJOQHWSA-N 467.522 2.384 10 20 JECD COc1cnc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c(F)c1 1832896388 GFOCVOFGCPHLSX-KRWDZBQOSA-N 494.614 2.323 10 20 JECD Cn1ncc2c(C(=O)N3CCC(OC4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)cccc21 1838031606 UVKBHJRYYSEUMC-UHFFFAOYSA-N 479.537 2.306 10 20 JECD CC(C)c1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)co1 1839431762 LSMQSZJZYLZZTA-QFIPXVFZSA-N 479.917 2.246 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)[C@H]2CCc3ccccc3[C@H]2O)C1 1841391782 HHULHRPPYKSUKJ-JOCXBXNISA-N 464.518 2.316 10 20 JECD CCOC(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cc1 1843442192 DCZWHEOPVROYMB-UHFFFAOYSA-N 474.517 2.473 10 20 JECD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)N1CCCC13CN(C(=O)c1cc(O)nc(O)c1)C3)C2 1847093825 HRVJVFOWBPQFBY-BBWFWOEESA-N 472.542 2.098 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)c3nccnc3N)c2C)c1 10072689 USEWLFPHTFOFPC-UHFFFAOYSA-N 466.450 2.079 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 38588598 VFPBZTQFHZZNSI-UHFFFAOYSA-N 472.611 2.032 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)c(Cl)c3)CC2)cc1 726725484 FKDXCIPESKHMIN-UHFFFAOYSA-N 485.972 2.009 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(N4CCCS4(=O)=O)cc3)cc2F)C[C@H](C)O1 726794652 HBHZRYYWPNOSPC-IRXDYDNUSA-N 497.614 2.458 10 20 JECD O=S(=O)(Cc1ccccc1CNCc1ccc(N2CCOCC2)c(F)c1)N1CCOCC1 727466069 SIRYRYCYQRFKRI-UHFFFAOYSA-N 463.575 2.114 10 20 JECD CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 744844175 AQEWONGTCFYNDJ-UHFFFAOYSA-N 475.634 2.247 10 20 JECD CC[C@@]1(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1=O 778964515 WVAKCZWKXWOKFD-YMXBGEKHSA-N 477.473 2.053 10 20 JECD CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c2ccccc2O1 918461634 JGBAKSVPHFSXRX-HSZRJFAPSA-N 480.565 2.054 10 20 JECD Cc1cc(C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1-n1cnnn1 919081633 RUJADWBXLLJZAK-IAGOWNOFSA-N 482.516 2.197 10 20 JECD C[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)Nc1ccc2c(c1)OCCCO2 920638303 ULZSOGOKEMMLRL-LBPRGKRZSA-N 450.469 2.109 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nnc3ccccc31)C2)c1cc(O)c(O)c(Cl)c1 1781119654 TWCIUDSTRDWOTE-HYBUGGRVSA-N 499.955 2.324 10 20 JECD COC(=O)C12CC(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)(C1)C2 1781962223 KIRFKAIVQWIMIB-ZTJOMYHJSA-N 492.956 2.222 10 20 JECD Cn1nncc1C(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1786983275 YJLHAWLSSMAURJ-UHFFFAOYSA-N 457.494 2.356 10 20 JECD CC(=O)Nc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)ccn1 1790243347 KJTQYBHVIAPSKX-QOKNQOGYSA-N 488.928 2.012 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3cc(=O)cco3)CCC2)cc1 1792314023 VZAAKYDHWJPCOQ-UHFFFAOYSA-N 457.533 2.248 10 20 JECD O=Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)s1 1795745584 MYMLQAGGSKZTRS-DPIQGUFMSA-N 450.900 2.142 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3sccc3[nH]1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480814 PDFRBCKVIWMBJZ-YEZVWNJWSA-N 477.546 2.226 10 20 JECD Cc1cc(C)n2ncc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3=NN(c4ccccc4)C(=O)C3)c2n1 1796934149 AJLFKKOVVWAIJJ-FNLKRUPLSA-N 485.548 2.391 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cccn3)cc1)C2)c1cc(O)c(O)c(Cl)c1 1799768267 PYSYTCHCZOJMTC-UPHUGPLXSA-N 482.924 2.454 10 20 JECD CC(C)(C)n1cc(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)cn1 1807538166 YBLWWWYWEHUUSR-UHFFFAOYSA-N 477.656 2.343 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)N(C)C(=O)OC(C)(C)C 1807667394 BNTZLKNIFLVBGL-KUDFPVQQSA-N 499.568 2.463 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3cnccc3[nH]2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996417 RUTZYAXJGZPGFE-IVZQSRNASA-N 458.478 2.398 10 20 JECD Cc1cc(C)n2ncc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c2n1 1807996493 TVRBLCLGXYADDY-VGSWGCGISA-N 487.520 2.181 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCc2cn[nH]c2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808464134 JLTSQKKWSAQKFH-NLFFAJNJSA-N 485.548 2.236 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)no1 1808468848 ZXCSFDMBTUWYGW-WZONZLPQSA-N 472.505 2.491 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1c[nH]c2cnccc12 1810066112 DRQSJBCFDMQZLW-YCRPNKLZSA-N 494.602 2.138 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1ccnnc1O 1811227526 HPDFIRZCZVKYJJ-FZKQIMNGSA-N 469.885 2.275 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811806322 KGPLPUBWJQJJQK-OXJNMPFZSA-N 468.897 2.413 10 20 JECD CCN(CC)C[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1812358720 NEXAMJHCDSHWAS-CECAUBDESA-N 455.559 2.185 10 20 JECD COc1cccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)c1 1813886008 XHJGNIUGKWLVMJ-CQSZACIVSA-N 454.508 2.426 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n[nH]1 1814164284 XRNUXNAOBAAYNE-UDGCLTLRSA-N 463.494 2.263 10 20 JECD O=C(Cc1cnccn1)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1814997747 DQZLFQSKNGTOEN-UABRLCRWSA-N 464.482 2.265 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3c1OCC3)CC2)c1cc(O)nc(O)c1 1816724775 HSKNLQIYCDEYEH-ZDUSSCGKSA-N 452.492 2.424 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3Cc4ccccc4O3)sc2C1)c1cc(O)nc(O)c1 1818778413 QBEHKSVDJIXNEG-CJNGLKHVSA-N 452.492 2.179 10 20 JECD COc1ccc([C@H](O)C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)cc1 1823951923 FGIQQVSRLKFOGL-REWPJTCUSA-N 469.538 2.468 10 20 JECD O=C1CSc2ncc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)cc2N1 1827429073 FWEMXWTYALFIHO-SFHVURJKSA-N 497.577 2.479 10 20 JECD N=C(N)SCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715943 WFRDQGXDCSGQTC-IBGZPJMESA-N 470.599 2.026 10 20 JECD C[C@H](Cn1cncn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832875969 FDJDGSBOCDSORN-ASZUZNPLSA-N 483.569 2.364 10 20 JECD Cn1nc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)cc1O 1832876249 HCDCQKLKKFRJQR-JHTBKMLMSA-N 470.526 2.189 10 20 JECD O=C(c1ccns1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896924 UNRNUIIEPRLXCS-AWEZNQCLSA-N 452.627 2.237 10 20 JECD COC1(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)CCC1 1832899303 CBBSRIFEJYZODU-QGZVFWFLSA-N 467.657 2.426 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1ccncc1F 1835253854 YMMIZOHEOFHMGK-DUXPYHPUSA-N 484.528 2.236 10 20 JECD Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)on1 1837092860 QATGSTLNVHGAKJ-UHFFFAOYSA-N 493.564 2.317 10 20 JECD Cc1ccc(O)c(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1838030124 AYOWGIAHRVSCJV-UHFFFAOYSA-N 455.511 2.433 10 20 JECD Cc1n[nH]c(C)c1C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838444832 NSAXFVFMZGYVEG-GQCTYLIASA-N 484.553 2.469 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ccoc3c1)CCO2 1839537560 OQGVLMANMRWPCN-JFAKYYBVSA-N 494.500 2.333 10 20 JECD C[C@H]1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CN1C(=O)OC(C)(C)C 1843251830 WGGKLZURHYTNML-JKSUJKDBSA-N 474.558 2.345 10 20 JECD Cc1cc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)nc2ccccc12 1843740132 CESWJTCOWGOBTM-UHFFFAOYSA-N 454.577 2.221 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)C(C)(F)F)C2 1844251572 HZWJUFJTYHZDKZ-OAHLLOKOSA-N 483.512 2.392 10 20 JECD CN1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1847960762 KZMLUJVTOCIYSY-MLNNCEHLSA-N 485.629 2.001 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N[C@@H]3CCN([C@@H](C)c4ccccc4)C3)nnc2n1 108817072 CEHSCIJSUUWTHS-DOTOQJQBSA-N 469.619 2.427 10 20 JECD COc1cccc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)c1O 729858694 BESXCSIMEOLOHG-FQEVSTJZSA-N 464.540 2.181 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)cc1 915731938 IHRFUCTUKKWVDF-UHFFFAOYSA-N 471.583 2.258 10 20 JECD COC(=O)CNC(=O)Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 916680809 AGQVWLVOHXZZBY-FQEVSTJZSA-N 455.511 2.437 10 20 JECD CCCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 918373132 STSZUHHEZBVAFB-IBGZPJMESA-N 458.584 2.470 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(c4cc(C)nc(C(C)C)n4)CC3)CC2)cc1 920253212 USFCIBAHLPQQEB-MDZDMXLPSA-N 492.624 2.471 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(c4cccc(OC)c4)CC3)CC2)cc1 1324194857 GAIAVKRVLLGWFP-ZHACJKMWSA-N 464.566 2.257 10 20 JECD O=C(c1ccc2cncn2c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005647 SQPNWEOIRVPTCP-QFIPXVFZSA-N 456.886 2.156 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)c(O)c1 1783221495 BPWUXBJPAZDTGD-AZUQIVAKSA-N 498.532 2.359 10 20 JECD CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)CC1 1783377010 SIWFEPQXWUIGRL-HOIFWPIMSA-N 467.657 2.139 10 20 JECD O=C(NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2)c1ccccc1 1785332206 WYQTZQOSFZVEMB-DEOSSOPVSA-N 487.940 2.015 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)s1 1785602494 AZYSLDGXVKAWEX-IEZWGBDMSA-N 482.562 2.143 10 20 JECD COc1ccc(-c2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)no2)cc1 1787550568 XNPWJDKYOPZMEW-XERREHJYSA-N 494.504 2.064 10 20 JECD Cc1cc2[nH]c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)cc2s1 1790377099 RVDZUDNKPNRGNF-JDFRZJQESA-N 456.524 2.251 10 20 JECD COC(=O)[C@@H]1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1793106697 QMYKMWDEIGTZCY-YABKFQJWSA-N 458.511 2.044 10 20 JECD COc1ccc([C@@H]2C[C@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1 1793523410 RVSIYQUYMFYVOL-JZFYCYHFSA-N 473.620 2.297 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@H]1Cc2ccccc2CN1 1796934677 SZHRMDYNPSJYPL-CWKRKGSWSA-N 471.561 2.132 10 20 JECD Cn1ncc(Br)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1797252112 ZALUSISKMHTJGI-RBVVOMGSSA-N 499.369 2.227 10 20 JECD CCC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1803434588 NPOSAPHWHOSXKE-AFBRZQFHSA-N 474.945 2.381 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cccs1 1805392532 PBVIZBFWGJYJHC-KBXCAEBGSA-N 460.606 2.323 10 20 JECD Cc1ncsc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1805760558 VINURVVEMNOUDN-RHSMWYFYSA-N 475.621 2.026 10 20 JECD O=C(COc1ccc(F)cc1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1806478639 WQTCMKJPFBFXLT-MWTRTKDXSA-N 466.469 2.426 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995240 FOMLRVNIPQUTDT-OPAMFIHVSA-N 462.462 2.250 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996402 RMNAWUGBRMSCBW-HXOBKFHXSA-N 476.489 2.292 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998663 DMNWIDZZZWBAHQ-QVKFZJNVSA-N 479.449 2.135 10 20 JECD Cn1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)cn1 1818147747 HNRMIEUWLNEHJZ-FQEVSTJZSA-N 474.525 2.171 10 20 JECD Cn1ccnc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1826085649 GNKSYLIOEMKXOC-NRFANRHFSA-N 462.554 2.446 10 20 JECD CCOC(=O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828199611 BDQRQGXLLQSJKG-BCRSCGJKSA-N 489.550 2.475 10 20 JECD CCc1ncccc1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240511 WASDVEJBRMYJAD-LLVKDONJSA-N 475.621 2.187 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)CC1)c1cc(O)nc(O)c1 1834987383 NKUPSWDAHKJJPF-UHFFFAOYSA-N 490.564 2.178 10 20 JECD Cc1cccc(F)c1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988492 YLTMTXABWPFNKG-UHFFFAOYSA-N 456.518 2.439 10 20 JECD CC(C)c1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)on1 1834988919 SPMYYNDAIMDURI-UHFFFAOYSA-N 457.531 2.103 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cn4cc(F)ccc4n3)CC2)CC1 1838029878 LYFVTDGQXFQSEY-UHFFFAOYSA-N 483.500 2.206 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(CS(C)(=O)=O)o3)cc2F)C[C@@H](C)O1 726047005 NCOMQZVMPZOFPS-GASCZTMLSA-N 482.530 2.050 10 20 JECD C[C@@H](NC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(N2CCOCC2)cc1 726248384 ZIZIRPLGHMLQMP-GYCJOSAFSA-N 451.527 2.138 10 20 JECD Cc1ccnc(NC(=O)CN(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 727831345 WWLKFOCRDIRJRH-ROUUACIJSA-N 457.550 2.329 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)c1 728979254 DHKRXRCFJLXGNE-CQSZACIVSA-N 460.556 2.348 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCc3ccc(OC)c(OC)c3OC)CC2)cc1 742940786 XWWSHFCKCMSERX-UHFFFAOYSA-N 458.559 2.342 10 20 JECD Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)on1 746254513 ZOJLTDHYUCBIEE-UHFFFAOYSA-N 487.534 2.451 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C[C@H](NC(N)=O)c3ccccc3C)CC2)cc1 914445951 OPUVCQMPDWYCLZ-QHCPKHFHSA-N 453.587 2.432 10 20 JECD O=C(C=c1sc(=Cc2ccc(N3CCOCC3)cc2)c(=O)n1Cc1ccc([N+](=O)[O-])cc1)C1CC1 914579918 NCJSGKFEUHSFRU-UHFFFAOYSA-N 491.569 2.291 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(C)n1-c1ccc2c(c1)CCC2 914658116 ZETUZKKTIVHKCC-IFMALSPDSA-N 498.601 2.344 10 20 JECD C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 915408317 HJWFLABBKFYSIQ-CYBMUJFWSA-N 495.513 2.224 10 20 JECD CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c1 915422367 DQYNHTSRQFZKBN-UHFFFAOYSA-N 473.507 2.141 10 20 JECD CC(C)N(CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)Cc1ccc(N(C)C)cc1 917074612 CPMRQKMHFBIAIV-FCHUYYIVSA-N 451.633 2.158 10 20 JECD COc1ccc(OC)c2c1CN(C(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)C[C@H]2O 918117071 GEMYHNGPRPBVRA-FXAWDEMLSA-N 468.554 2.164 10 20 JECD CNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 1317939346 OIAPEXLFGQOOGP-UHFFFAOYSA-N 486.363 2.263 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)C2)C1 1778546009 LNFGTEWKHZCQRH-NRFANRHFSA-N 491.426 2.145 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1779691449 UBTZKVMFPGTTHG-HSZRJFAPSA-N 483.912 2.089 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)[C@@H]1CCCN1Cc1ccccc1 1782384108 WFGWZRFLPHSDFP-OREGWCPLSA-N 494.592 2.285 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c(C)c1 1783246307 YSSTVBVLFAPLEH-WZONZLPQSA-N 475.636 2.291 10 20 JECD Cc1nccn1CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1784409868 SMYFQIYQIPNFSV-QFIPXVFZSA-N 462.934 2.180 10 20 JECD O=C(Cc1ccc(F)cc1C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1784894364 UBAAIEVVVVXCSB-OWQGQXMQSA-N 497.445 2.487 10 20 JECD COc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1C 1784925335 IIDCTNYVONZQIS-CFSVISAESA-N 468.506 2.277 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)Cc3cc(F)ccc3F)C2)C1 1785362272 USFRSIHVICULOD-NCWHABTQSA-N 474.460 2.167 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1C[C@@H]1c1ccc(F)cc1 1792811655 DNUWPZSSMIZYMP-GQDIDFGHSA-N 482.508 2.349 10 20 JECD CCOC(=O)/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1795091875 NASDHJHUUYHMOD-BWGGMDLNSA-N 465.550 2.417 10 20 JECD Cn1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)ccc1C(F)(F)F 1796713315 FALQPVSVKPKPNU-NQAQCJMWSA-N 495.454 2.077 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1797901289 AYZONYIXXXHCOD-KATBDVFWSA-N 478.521 2.094 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(Br)c1)C2)c1cc(O)c(O)c(Cl)c1 1799769430 KMNOOGWYTAQPTG-FVCICTRLSA-N 496.745 2.426 10 20 JECD Cc1ncncc1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814163808 MPPLESOUVQUKPY-NTPDFONASA-N 475.505 2.330 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cnc1C 1814184644 CECYQMJYJAJSOK-LAUBAEHRSA-N 483.619 2.273 10 20 JECD O=C(Cc1cccnc1)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1815696518 OFPQKKNJMHRTFY-INIZCTEOSA-N 474.546 2.486 10 20 JECD O=C(CN1CCc2sccc2C1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722347 YOXDLRFMJAWEIX-AWEZNQCLSA-N 485.591 2.295 10 20 JECD Cn1nc2c(c1C(=O)Nc1nc3c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC3)CCC2 1824246093 CUNGEBWYIKNDRD-BCRSCGJKSA-N 495.561 2.421 10 20 JECD Cc1ccc(C(=O)C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)cc1 1825847844 XZNRMXXZQXNYKB-CYBMUJFWSA-N 488.616 2.107 10 20 JECD Cc1nc2ncccn2c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427984 WOPNALIIUMYEKF-GOSISDBHSA-N 464.526 2.391 10 20 JECD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1827982003 BIYSGHMIISVUAL-QWHCGFSZSA-N 491.570 2.478 10 20 JECD COc1ccc(F)cc1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828249998 MGQNISQVLVAMBK-LLVKDONJSA-N 494.595 2.377 10 20 JECD O=C(Cn1ccccc1=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837933627 LWOYSULFWKUPKN-UHFFFAOYSA-N 489.956 2.225 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1838094450 DPPXILBWIUZUPV-UHFFFAOYSA-N 493.904 2.309 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3ccc(Cl)cc3c1)CCO2 1839515380 JLLNNPIQPSGBJR-XMMPIXPASA-N 498.923 2.078 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)[C@@H]2CC(=O)N(Cc3cccs3)C2)C1 1841981007 YEIHEWPGAHAKNQ-QQOXCAACSA-N 497.573 2.130 10 20 JECD CC(C)(C)OC(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251013 NIQZAEJXAKFECZ-LAGYLCCXSA-N 486.569 2.488 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ccc(N3CCOCC3)cc2)C1 1843447550 TWKWYTBXPVXONY-UHFFFAOYSA-N 487.560 2.133 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ccc(Br)cn2)C1 1844424346 DXKWMMQJHXJFSN-UHFFFAOYSA-N 482.338 2.454 10 20 JECD COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)c2C)cc1 108472235 XOTMNDOXCFZAEQ-UHFFFAOYSA-N 482.562 2.476 10 20 JECD COc1ccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1F 726436349 OWZDJIWROUUFHJ-UHFFFAOYSA-N 485.519 2.077 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)c1 729064032 ODKLYEXRXIJEMA-HNNXBMFYSA-N 488.566 2.468 10 20 JECD CNC(=O)CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 729785634 IUWGSYMMYOIKLL-IAGOWNOFSA-N 486.544 2.209 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1F 731408246 HAGFFNHFRFXKMI-UHFFFAOYSA-N 462.547 2.467 10 20 JECD C[C@@H](OC(=O)CCCN1C(=O)CN(C)C1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 742293371 YTSAGYIWAYPIGE-CQSZACIVSA-N 477.473 2.006 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1 748051825 SEAQFRCDEYTXBF-SFTDATJTSA-N 486.657 2.049 10 20 JECD O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccccc1CS(=O)(=O)N1CCOCC1 915703422 MCUPHRRVHGBTLR-UHFFFAOYSA-N 472.611 2.448 10 20 JECD CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 918200421 HCIKYQJLTZVOBJ-UHFFFAOYSA-N 478.590 2.490 10 20 JECD CN(C(=O)CSCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCCC1 918644733 IDQZDKZEIPZANI-UHFFFAOYSA-N 467.657 2.062 10 20 JECD O=C1Cc2cc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)ccc2N1 1782005473 ILMOLLGHWGUAKO-QHCPKHFHSA-N 471.897 2.003 10 20 JECD O=C(CC12CCCN1CCC2)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007334 CGZIPFFHYHEFTA-QHCPKHFHSA-N 463.962 2.213 10 20 JECD Cc1ccc(C(=O)C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1782008464 AXLFPTGAZHCWCD-QHCPKHFHSA-N 458.898 2.386 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cc4ccoc4cn3)C2)C1 1782193717 CUYDANLTDBFFPP-JWZSXRADSA-N 465.462 2.102 10 20 JECD CSc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1789069081 JYARUJCMPXOKOX-LRQRDZAKSA-N 493.589 2.190 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1sccc1Cl)C2 1802080551 VEVRKHABWPWAHA-ZAHULMEISA-N 464.927 2.435 10 20 JECD C[C@](O)(C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)C(F)(F)F 1803999932 YUMGBGMQDUJNEV-IMIHKUQASA-N 495.454 2.231 10 20 JECD O=C1Nc2ccccc2/C1=C/C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807995605 HBZAHKUFISDMBF-UAUNJRAHSA-N 485.500 2.243 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cn2cnc3ccccc32)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999133 RLKPPMPCSCUVNM-XDHUDOTRSA-N 472.505 2.257 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2csnn2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808463332 CJNULZWNQAIMEV-HRAATJIYSA-N 475.534 2.046 10 20 JECD O=C(CCc1cnccn1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813447429 FMBUBSNIBVIHHM-LVPYQSIUSA-N 489.532 2.340 10 20 JECD CC[C@H](NC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1817462761 HYQYHDWDTOOUTE-QFBILLFUSA-N 451.531 2.193 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CNC3=O)[nH]n1)c1cc(O)nc(O)c1 1817846159 JFLQZOLJWRPKND-KRWDZBQOSA-N 462.466 2.079 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)c3ccc4ncnn4c3)sc2C1 1819404364 DCBQJSDUDIPDAN-SMDADKPZSA-N 492.517 2.242 10 20 JECD O=C(CN1CCCCC1=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1822306215 XHVUERSNQMNCAV-VMSUTVGLSA-N 483.525 2.245 10 20 JECD Cn1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)n1 1823708595 JFRREWORCNRHCE-LLVKDONJSA-N 461.931 2.410 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)c1 1823859551 XHXBASYWYAUNGC-AWEZNQCLSA-N 491.533 2.378 10 20 JECD O=C([C@H]1ON=C(c2ccccc2)O1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428280 MODZQWZWUYRBTA-UQBPGWFLSA-N 480.521 2.461 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1cncnc1)CC2 1828198778 IXLAWVHBJRSMHH-WEJQMCOXSA-N 481.534 2.308 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)C3Cc4ccccc4C3)sc2C1 1828416409 AJESIWZTWBHQKL-OAHLLOKOSA-N 486.644 2.330 10 20 JECD COC[C@@H](NC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739458 JDCGWHYPHGPXEJ-MOPGFXCFSA-N 481.977 2.136 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C(=O)c3ccc(Cl)cc3)CC2)CC1)c1cc(O)nc(O)c1 1834985503 HOINOPNUTYMRSO-UHFFFAOYSA-N 486.956 2.214 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccnn3-c3ccccc3)CC2)CC1)c1cc(O)nc(O)c1 1834987160 HLGFIRDQJHWGEL-UHFFFAOYSA-N 490.564 2.178 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=CCCC3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132646 AXXHXVXFJIHCMN-UHFFFAOYSA-N 463.582 2.461 10 20 JECD CCc1nc(C(=O)NC2CCN(C3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)co1 1835986264 DLXVBEGGVDNXIA-UHFFFAOYSA-N 492.580 2.215 10 20 JECD Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)nn1C 1843330507 BMEMJBVHEHNSRW-HXUWFJFHSA-N 496.612 2.264 10 20 JECD O=C(c1cnc2cc(C(F)(F)F)ccn12)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055111 FASGNYCMWSLOPZ-UHFFFAOYSA-N 497.524 2.030 10 20 JECD COC(=O)[C@H]1CN(C(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)CCO1 728540170 VHTCDVWLARSUAE-SJWLEHQBSA-N 485.381 2.051 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 743363932 XQKUYJXVOZBZFP-IBGZPJMESA-N 489.642 2.128 10 20 JECD C[C@H](OC(=O)CNS(=O)(=O)c1cccs1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 914771485 SVURXMIWJDKZFW-ZDUSSCGKSA-N 498.538 2.372 10 20 JECD CSCC[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)N1C(=O)c2ccccc2C1=O 917833730 SXKCYCUMFRIBCE-GCJKJVERSA-N 494.617 2.422 10 20 JECD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)cc2F)C[C@@H](C)O1 917919299 ZCOGEYNBISITFP-HUUCEWRRSA-N 456.561 2.321 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2F)C[C@@H](C)O1 918149214 RTXDARIGZSECJM-HZPDHXFCSA-N 464.563 2.129 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)cc2F)C[C@@H](C)O1 918204901 CECUNYAAGHFKAA-QZTJIDSGSA-N 497.571 2.011 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cc(Br)c4c(c3)OCO4)nc12 920618897 LRGXYKOWBAJVQP-UHFFFAOYSA-N 464.228 2.460 10 20 JECD CCN1C(=O)C(=CNc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C(=O)N(CC)C1=S 920974171 CDASWUAOCYYZIP-UHFFFAOYSA-N 471.004 2.416 10 20 JECD COC(=O)c1cc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)n(-c2ccccc2)n1 1318254627 ONUSXWVPYAQLDJ-UHFFFAOYSA-N 463.538 2.220 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3occc3c1O)C2)c1cc(O)nc(O)c1 1777851407 ZGDPZJDTZSRANN-HOYKHHGWSA-N 467.478 2.386 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)cn3)C2)C1 1779488745 OQWJUBHFCGFVTC-KSBKHAFUSA-N 459.886 2.009 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc(Cl)cn1)C2)c1cc(O)c(O)c(Cl)c1 1781122872 YFTPACPZKOBORS-DYESRHJHSA-N 483.352 2.429 10 20 JECD O=C(/C=C/c1cccc(O)c1)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510627 UGIWJTOPUUTCMX-ZWCFQKMDSA-N 466.490 2.066 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)C[C@@H]21)c1cc(O)nc(O)c1 1787295329 HFSJTZYYDQCDNF-VHFSOBRXSA-N 497.939 2.443 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccco3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537350 PRABSLPSTKOCPV-CSVVQVJSSA-N 462.506 2.065 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1cnnc2ccccc12 1787884764 AAPSNSWLDQERJO-JBUDQFAYSA-N 498.543 2.016 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c(C)n1 1792217595 BJMUEJQXIBNRFI-MFEKCTPRSA-N 467.522 2.122 10 20 JECD COc1ccc([C@H](O)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1792792473 FCNPVRNUUDABMH-GXWVCDHTSA-N 468.506 2.197 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CCCO3)C2 1802082214 ATWRAMPWHXFBEQ-SKMDJGCISA-N 480.517 2.045 10 20 JECD Cc1nc[nH]c1CSCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810192381 AGZIOSDKTLOAHB-OPAMFIHVSA-N 482.566 2.172 10 20 JECD O=C(COc1cc(Cl)ccn1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810492392 DSUYKJIVNPXGSR-NYHFZMIOSA-N 483.912 2.335 10 20 JECD C[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1)N1CSCSC1 1810546544 ITFZFWKOMWALQD-HNNXBMFYSA-N 466.629 2.381 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cc2ccoc2cn1 1812068324 QNOUSKRONPFRRA-HRAATJIYSA-N 495.586 2.403 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1cnn2c1CCC2 1812141736 QMQKVAHERXYQFW-UQBPGWFLSA-N 497.559 2.337 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1812868642 CSPMAXDDGHRMPS-MXJUGCHNSA-N 499.527 2.117 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc3ncoc3c2)[C@H]1c1cccnc1 1814189287 ODEWVGZMAKHIPD-IERDGZPVSA-N 495.586 2.403 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)[nH]n1)c1cc(O)nc(O)c1 1817847134 MCAZBNJILCBQBZ-ZCWUUALQSA-N 488.504 2.432 10 20 JECD CC[C@H](NC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146573 QSKFFKFATAHFGT-QFBILLFUSA-N 451.531 2.193 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)C(F)(F)C(F)F)[nH]n1 1823496510 IOERJHYPEFFFMR-VIFPVBQESA-N 467.470 2.163 10 20 JECD CCC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)COC1 1824910365 FHSDJCYFMZWLQP-AWEZNQCLSA-N 467.551 2.275 10 20 JECD Cc1cnc2c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)cnn2c1 1827428084 GVZBIJAEXXUNOL-LJQANCHMSA-N 464.526 2.391 10 20 JECD O=C(c1nc2ncccn2n1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832875824 BUQCTUZCRVCQSS-JHTBKMLMSA-N 492.536 2.188 10 20 JECD COC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348796 MSLDDOPROHVGHG-NIYFSFCBSA-N 469.582 2.447 10 20 JECD Cc1nn(-c2ccccc2)c(O)c1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1842193840 CKACRWRBKRDHFE-UHFFFAOYSA-N 498.543 2.496 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)nnc2n1 108317954 VRZFRWUZAVWEDX-ZDUSSCGKSA-N 492.631 2.098 10 20 JECD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 727601411 URLGOFJYFYGWLY-XLIONFOSSA-N 487.626 2.199 10 20 JECD C[C@H](OC(=O)CCCN1C(=O)CN(C)C1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 742289369 WIWBSLYZURODLC-AWEZNQCLSA-N 477.473 2.006 10 20 JECD CN(CC(=O)NC(C)(C)C)C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 913640925 ZAZFXXYEFPFKLL-UHFFFAOYSA-N 464.500 2.088 10 20 JECD O=C(CN1CCC[C@@H](c2cc[nH]n2)C1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 917174040 MLFZXGMEILFWHT-IWEBCOIVSA-N 499.618 2.335 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CC(=O)N(c4cccc(SC)c4)C3)nc12 918951915 OYVZKORVFOVUKB-ZDUSSCGKSA-N 470.507 2.430 10 20 JECD CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)c1 919664744 KRBCQZANDBNXAM-UHFFFAOYSA-N 452.555 2.208 10 20 JECD Cc1c(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C 920922632 HTPYLSNEUMSNEQ-QGZVFWFLSA-N 463.538 2.137 10 20 JECD COCCN1C(=O)/C(=C\Nc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)C(=O)NC1=S 920979136 XNKXQDLLFAKAMQ-AQTBWJFISA-N 488.591 2.290 10 20 JECD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)cc1 921297754 RLNQCWJRVFRRRH-UHFFFAOYSA-N 450.535 2.182 10 20 JECD Cc1nnnn1/C(=C/c1cccc(F)c1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 928982842 ZSIPMRMOPJUTAE-FYJGNVAPSA-N 452.490 2.387 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-n3cccn3)cc1)C2)c1cc(O)nc(O)c1 1777852888 YXOCYVLDGYCIFS-CJFMBICVSA-N 477.521 2.120 10 20 JECD COc1ccc(C)c(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1781786334 XALAQRCTNIMPFT-JLEGMICCSA-N 468.506 2.277 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@@H]1COc2ccccc2O1 1785040717 MJPIKQFFLPKSLX-UWUZAJPRSA-N 488.924 2.185 10 20 JECD COc1ccc(F)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785509835 ANQHUXBUUMDPSN-CMEAPCDJSA-N 472.469 2.108 10 20 JECD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1N(C)C 1785509872 IEHOSRSOQNHCFO-MDRWGITRSA-N 497.548 2.035 10 20 JECD COc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1 1787541285 BUMAGKMSDCONKW-GRWTVWFQSA-N 494.523 2.221 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccn2cncc2c1 1788408267 WDHUHPDXUJWHRV-VHFSOBRXSA-N 470.913 2.306 10 20 JECD C[C@@H](C(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1)n1cnnn1 1788673754 IPCLCHHLHKLUJF-INIZCTEOSA-N 472.509 2.161 10 20 JECD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790246168 PLDJNWAZQGQBSR-SVKXURNBSA-N 492.956 2.100 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)(Cl)Cl)[C@H]2C1 1790917617 WHWFDTSKMPKAIE-VWSXDQIGSA-N 479.744 2.167 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccccc2F)CC1 1802048295 XSVQZSXYIZZATK-MRSFGVLCSA-N 490.535 2.240 10 20 JECD COc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)ccc(F)c1F 1802079612 MQMDLYPCIAQQCH-IOBPIQLWSA-N 490.459 2.007 10 20 JECD O=C(COC1CCCCC1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1802912718 DFSGAOIKAXBXIA-JTSKRJEESA-N 490.651 2.297 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)C1=NO[C@@H](c2ccccc2)C1 1804333198 HOSHHPFHCPNDJH-KYHPRHEASA-N 472.592 2.003 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3n(n2)CCC3)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468135 ORPJABRVQVJBMR-KBMIEXCESA-N 497.559 2.337 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc(Cl)cn1 1810748691 KZJAOTRUKUZQEM-IFXJQAMLSA-N 490.010 2.310 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CC2(O)CCC2)[C@@H]1c1cccnc1 1814165653 JTAPFTSGAYHXKF-NTPDFONASA-N 467.522 2.223 10 20 JECD CCOCCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814167057 XGHOICZNDXCKAR-VSEMJTJDSA-N 455.511 2.344 10 20 JECD CCOCCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814167059 XGHOICZNDXCKAR-XZSBDORCSA-N 455.511 2.344 10 20 JECD Cc1ncccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816394539 VKKKXLCIBVRDBO-OAHLLOKOSA-N 458.569 2.279 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3ncsc3[nH]1)CC2)c1cc(O)nc(O)c1 1816725382 HSMGAPZQEKXTLV-VIFPVBQESA-N 456.509 2.427 10 20 JECD O=C(/C=C/c1cnccn1)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367194 RQTWJNKXZCXMPI-LOWQCSRCSA-N 487.545 2.351 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1nccc2[nH]ccc12 1817906274 PKDKIMCRJRLPQS-OAHLLOKOSA-N 483.579 2.452 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCSCC2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818145181 WNNZELBJDHMPMS-HXUWFJFHSA-N 495.609 2.244 10 20 JECD CCCC(=O)N[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1819561237 LNYBYFFGJGYTRN-JXFKEZNVSA-N 493.568 2.500 10 20 JECD Cc1nc(F)ccc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1820959212 ZJPGFIKLGZPJQL-JTQLQIEISA-N 479.584 2.072 10 20 JECD Cc1noc(C)c1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823497481 WGLJRAMESFSSLC-HNNXBMFYSA-N 476.584 2.110 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2Cc3ccccc3N2)[nH]n1 1823499631 QDWMDZCCNHQFKO-DLBZAZTESA-N 484.607 2.299 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2CCCCO2)CC1 1824910726 IGASBQNXNPETLY-MSOLQXFVSA-N 467.657 2.426 10 20 JECD COc1nccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1F 1827256525 GNKOXSWBHSZRGV-INIZCTEOSA-N 494.614 2.323 10 20 JECD Cc1cnoc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902074 XIOUDJYXQCCMQE-OAHLLOKOSA-N 450.586 2.077 10 20 JECD Cc1nc(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)cs1 1835132791 NXMMMSBXFIGORR-UHFFFAOYSA-N 494.621 2.430 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1836758084 GDGDQTFEUQQXKN-RQVMVGKASA-N 452.935 2.257 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031769 LFAQNQKPNPRYFP-QGZVFWFLSA-N 468.554 2.379 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)n[nH]1 1838110445 KLZOADOGNODFMO-UHFFFAOYSA-N 478.553 2.123 10 20 JECD CC(C)Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)cc1 1839404900 XIBOFPNABQPFIM-RUZDIDTESA-N 469.538 2.075 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCC3(F)F)C2)C1 1840880114 XCYDGNHQNODLDT-ADMRXCGISA-N 496.507 2.099 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3cccc4cc[nH]c34)C2)C1 1840880901 RWCDATAKUQUAJT-UJWGQFCKSA-N 493.516 2.068 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3cccc(Cl)c3)C2)C1 1840881220 JBOPCQQRVDXANA-SXBBHYFQSA-N 488.924 2.240 10 20 JECD CC(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251673 PWJXGNPGOWDDSO-QGZVFWFLSA-N 461.559 2.393 10 20 JECD Cn1nc(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)c2cc(Br)ccc21 1845713586 NHMMWMKYCJUIKT-UHFFFAOYSA-N 486.326 2.273 10 20 JECD CCO/C=C/C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1846501115 PCCAJYSRMRGFFA-RDPWEWGOSA-N 472.586 2.458 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CC1 1847142860 HQLIABIUNJLLAF-UHFFFAOYSA-N 481.553 2.040 10 20 JECD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 21963686 ZBKBUDWIEZYJTI-UHFFFAOYSA-N 472.611 2.316 10 20 JECD CN1CCCc2cc(CNC(=O)CCc3nc4cc(S(=O)(=O)N(C)C)ccc4n3C)ccc21 746811331 AKCKXSTUKZRYQL-UHFFFAOYSA-N 469.611 2.455 10 20 JECD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccc(N3CCSCC3)cc2)C1=O 917386920 OTKYOKQHRVIYES-QHCPKHFHSA-N 456.543 2.462 10 20 JECD COC(=O)COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1 917871770 WWVJDLBBJWLEMG-UHFFFAOYSA-N 465.509 2.392 10 20 JECD Cc1cc(CC(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 919011918 QOABJADGLQGASD-UHFFFAOYSA-N 469.991 2.231 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3ncc4ccccc4c3=O)cc2F)C[C@@H](C)O1 919263141 SFXBVSDMNKCMFN-CALCHBBNSA-N 482.512 2.009 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)nc12 919500937 DIZYPDMYTFGIJV-GFCCVEGCSA-N 458.858 2.361 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3c(s1)CCC3)C2)c1cc(O)nc(O)c1 1777847629 IEJLRQXPJACQMB-WZONZLPQSA-N 457.552 2.484 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)C1 1778077500 HLXKGMWRMJLTCF-NRFANRHFSA-N 494.038 2.062 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1779331354 XCSVKIIMBDCLHH-FPTDNZKUSA-N 460.918 2.090 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3nccn13)C2 1783221613 HGBZEUQHPHVYRJ-LEKYLPEBSA-N 492.532 2.292 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)nc2ccccc12 1787291750 DOGUHUUCPNZNCJ-XERREHJYSA-N 462.506 2.257 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3-c3ccccc3)C[C@@H]21)c1cc(O)nc(O)c1 1787293325 LDELTUGUBBVVDV-HSQYWUDLSA-N 474.517 2.462 10 20 JECD Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)c1Cl 1792244998 HGUIFCWGIDSPIC-BPUTZDHNSA-N 482.027 2.102 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2csnn2)C3)cc1 1799620094 OQIHKMSSHJULRN-RMFSNUHRSA-N 451.552 2.463 10 20 JECD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)[nH]1 1803814203 YLJAXDIXOFUVSD-MBSDFSHPSA-N 471.521 2.226 10 20 JECD CNc1nsnc1C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)C1 1804848997 IHFHIFKPGUCDSB-GQCTYLIASA-N 473.555 2.255 10 20 JECD O=C(Cc1ccccc1F)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1806534022 YCQLCDHQKUSCBT-VGOFRKELSA-N 486.594 2.330 10 20 JECD Cc1nnc(CC(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)s1 1807541626 UFKUWIDPLYLHSV-FERYEXAHSA-N 495.561 2.320 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCN2CCCCC2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807990857 KLVVPSDILDPDQE-JPYJTQIMSA-N 453.543 2.083 10 20 JECD Cc1ocnc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808470746 XQNHBSBVPLBTNJ-JPYJTQIMSA-N 472.505 2.491 10 20 JECD COc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] 1813951951 NMVDONFWFADISL-KSFYIVLOSA-N 493.476 2.438 10 20 JECD Nc1ccccc1/C=C/C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722067 CJPSNNDVXJXUEL-GPAKFWEMSA-N 451.508 2.471 10 20 JECD Cc1ccn2c(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)cnc2c1 1816729069 QFCYJTXSYWOIQI-CYBMUJFWSA-N 464.507 2.445 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3c2CCCC3)[nH]n1)c1cc(O)nc(O)c1 1817844682 HIIMIGAVMALDDT-MRXNPFEDSA-N 451.487 2.438 10 20 JECD Cn1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)cccc1=O 1825738734 KUBUNGDAINFNEI-JARZOMNASA-N 481.549 2.449 10 20 JECD O=C(/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)NC1CC1 1828790330 DEZAFGWEOWWVMR-GBJNBNQZSA-N 491.592 2.234 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC=CCC1)CCO2 1830565503 RGTMERJBXWUHLT-QRQCRPRQSA-N 450.919 2.178 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1C[C@@H]3CC[C@H]1C3)CCO2 1839916287 MJJSALRRYBMZSF-IJAKBOGNSA-N 486.565 2.099 10 20 JECD COc1ccc(CC(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)c(Br)c1 1841376586 WLPQLUASYPTLIT-UHFFFAOYSA-N 476.327 2.324 10 20 JECD O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501348 FPRAGFYIXOLJDF-NRFANRHFSA-N 485.968 2.469 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034282 HDWKCXJWHBLEOC-LOWQCSRCSA-N 475.542 2.181 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)cc1 1847037062 LIJNDXWKWNJANQ-UXBLZVDNSA-N 451.479 2.292 10 20 JECD Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)cn1C 109999223 PCTVANKVHVIJHQ-UHFFFAOYSA-N 476.530 2.370 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC(CCN4CCOCC4)CC3)cc2F)C[C@@H](C)O1 726071329 TYIHAVUFNAERCS-NHCUHLMSSA-N 476.637 2.490 10 20 JECD CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCS(=O)(=O)CC4)C3=O)c2C)cc1 729153241 HMCBHLQBDROXTP-UHFFFAOYSA-N 473.551 2.175 10 20 JECD COc1ccc(C(=O)NCc2cccc(OC)c2O)cc1S(=O)(=O)NCc1ccccn1 729859457 QTRPZFCBMVCOBZ-UHFFFAOYSA-N 457.508 2.213 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 748470528 MPAZBUFVZAYVLI-UHFFFAOYSA-N 470.545 2.126 10 20 JECD COC(=O)[C@@H](C)NC(=O)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)c([N+](=O)[O-])c1 917087146 SMMJXTVEHZNXMX-CQSZACIVSA-N 460.462 2.474 10 20 JECD COC(=O)c1c(C)nc(O)nc1SCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917197064 LNGTWTUPMLNENR-BETUJISGSA-N 478.546 2.438 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnc(C4CC4)n3CCC(N)=O)cc2F)C[C@H](C)O1 917207191 ONTHSDXNUPCXOH-GJZGRUSLSA-N 490.605 2.192 10 20 JECD COc1ccc(N2CCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C(=O)O)o4)CC3)CC2)cc1 917822175 KWYABLXLVMAEKY-UHFFFAOYSA-N 491.566 2.126 10 20 JECD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 919655193 UDYHDDUUKGXZCR-XLIONFOSSA-N 487.626 2.199 10 20 JECD C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 920868727 KRPYKLDOAHQTGE-LJQANCHMSA-N 488.610 2.105 10 20 JECD COc1ccc([C@@H](C)C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1 1777846333 CCVZBMHSXNDGJR-KQUPGTECSA-N 469.538 2.433 10 20 JECD CCOc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1OC 1777850564 IKAGDTSVELNLBJ-QFQXNSOFSA-N 499.564 2.270 10 20 JECD NC(=O)c1ccccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1780993274 OLCXUUMOKJLZKC-NTKDMRAZSA-N 487.940 2.291 10 20 JECD Cc1[nH]nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)c1F 1781121246 LQBOGHVQAFDPRE-QVKFZJNVSA-N 466.897 2.363 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@@H]1[C@@H]2C=CS[C@@H]12 1781529964 CUUACXLQZHURFR-LUOSIZPJSA-N 480.590 2.168 10 20 JECD C[C@H](N[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1)C1CC1)c1ccccc1 1782889711 QMHLGIHTBIEGJY-YSBYIQCSSA-N 480.565 2.066 10 20 JECD CN(C)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)nc1 1790242261 ZEURFLZQSCXHNX-RISOHXOYSA-N 474.945 2.119 10 20 JECD C/C(=C\c1ccc(C)o1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802079933 ZVODLGCOEHSCHR-NJVRCQEVSA-N 468.506 2.411 10 20 JECD COc1cc(F)ccc1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1802182408 WVNUEPIETSYGEI-USGNIVHTSA-N 478.904 2.345 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)[C@@H]1CCCCO1 1802588876 CZKBIOCNUNJOJS-NGYIFUPDSA-N 475.549 2.449 10 20 JECD COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1O 1802815669 BXGUZJYHCGWUKJ-BXKMTCNYSA-N 478.505 2.164 10 20 JECD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)on1 1804254824 QPGRSUZLHRXUSD-DFBJGRDBSA-N 486.532 2.419 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1ccno1 1805624112 OEGAPFMMVYCYOJ-HTAPYJJXSA-N 458.478 2.182 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(-c3ccccn3)[nH]n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994006 CSBJVNZCQUACAY-HJPURHCSSA-N 485.504 2.306 10 20 JECD O=C(CS[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810348450 NUWMZEBHQWRYLD-NPFVIJTESA-N 472.567 2.467 10 20 JECD Cc1ccc(O)c(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1811765183 XUGQLLGAIUXZGS-IERDGZPVSA-N 484.603 2.276 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3nccc4[nH]ccc34)sc2C1 1816853498 IYJBPSWOSGXXMP-JTQLQIEISA-N 486.604 2.106 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)[nH]n1)c1cc(O)nc(O)c1 1817842504 CUOVMRMWUJAJGZ-CRAIPNDOSA-N 482.541 2.313 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)[C@@H]1CCOC1 1822949507 FKVXJUANWGKWBW-DNVCBOLYSA-N 450.499 2.231 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccnc3[nH]2)[nH]n1 1823499933 GRHDXUBERDMBDF-OAHLLOKOSA-N 483.579 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1ccc(F)cc1F)CC2 1828249626 KOPDDBDQYCMSTG-LBPRGKRZSA-N 496.586 2.436 10 20 JECD Cc1nnc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)s1 1832896371 FQDWLFYWLWNLCE-MRXNPFEDSA-N 495.696 2.259 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)cco2)CCO3)cc1 1834606271 RJTCALSFTVJPTJ-HHHXNRCGSA-N 491.544 2.431 10 20 JECD O=C(CC1CCOCC1)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1834627456 IWHLEKARVNVYHG-UHFFFAOYSA-N 495.624 2.168 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3ccc(Cl)o3)CC2)CC1 1838184450 QXDCUWNKAQLDEE-UHFFFAOYSA-N 486.015 2.406 10 20 JECD CN(C)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)c1 1839433694 QEOSUWVNCNITPD-DEOSSOPVSA-N 489.956 2.201 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3Cl)C2)C1 1839433839 WRPDUMHYOSGDDA-NRFANRHFSA-N 482.320 2.183 10 20 JECD O=C(N[C@H]1CCC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)OCc1ccccc1 1843250394 SYSDPTSVFXKVSF-UXHICEINSA-N 494.548 2.405 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)[C@H]1CCCCO1)C2 1843330768 MUBOTGSWPMUSMJ-NHCUHLMSSA-N 486.613 2.477 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(N4CCOCC4)c(F)c3)nnc2n1 110816203 RGHJMKISNLCUQN-UHFFFAOYSA-N 475.554 2.089 10 20 JECD O=C1C[C@H](N(C(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)C2CC2)C(=O)N1 726942465 GKDCJXAFPJCMRU-GRFABLRMSA-N 494.392 2.056 10 20 JECD C[C@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 748918329 UOAJXHHRRGHGIA-ZDUSSCGKSA-N 475.413 2.102 10 20 JECD NC(=O)C1CCN(c2ccccc2NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 749024357 PARIFYZECACXNX-HXUWFJFHSA-N 480.565 2.240 10 20 JECD COc1ccc(CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 781351463 XNGLESQZIOFNAG-QFIPXVFZSA-N 459.612 2.409 10 20 JECD O=C(CNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)Nc1ccccc1 918339391 XCAQFYPVPTYAEE-UHFFFAOYSA-N 470.463 2.470 10 20 JECD CC(C)C(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 918463941 PRFNMUQAMUSHOD-SFHVURJKSA-N 465.554 2.238 10 20 JECD COCCOc1ccc(CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cn1 919782626 BMBSWTKBESTOEM-UHFFFAOYSA-N 495.559 2.362 10 20 JECD C[C@H]1CN(Cc2ccccc2NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 920194853 JVOCJNUNDCOVEJ-PMACEKPBSA-N 466.582 2.387 10 20 JECD CCOc1ccc(N/C=C2\C(=O)NC(=S)N(CC(C)C)C2=O)cc1S(=O)(=O)N1CCCCC1 920978442 BEVMFBWFJBBRPQ-GHRIWEEISA-N 494.639 2.455 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3csc(C(F)(F)F)n3)C2)C1 1779761293 FBQPCWRSAKTEHQ-ZFDYTMOGSA-N 499.467 2.436 10 20 JECD Cc1ccn(C)c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1780226872 FHMJAPWMTQJMQD-QFQXNSOFSA-N 477.565 2.254 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)cc1 1781753410 LDVWRQVPNUTWED-FRSJXWKWSA-N 476.577 2.372 10 20 JECD COc1ccc(/C=C(\C)C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)cc1 1782804326 AKTGHUBPUYMUNY-JOPVOSQUSA-N 453.495 2.048 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)C2 1783245841 HWKBWMKTLCAYHM-IPRDPGLQSA-N 487.647 2.164 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3c(Cl)cccc13)CCO2 1785510203 RQKTTZLNJUCHRC-SXBBHYFQSA-N 498.923 2.490 10 20 JECD O=C(/C=C/c1cnc[nH]1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1791781074 GXYDZTZOTUJWDM-VOTSOKGWSA-N 455.565 2.417 10 20 JECD CC(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2)N1Cc2ccccc2C1=O 1793542880 JPSYIOAEKYIQOH-YWNPBTLJSA-N 478.549 2.425 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc(Cl)c1)C2)C1=NN(c2ccccc2)C(=O)C1 1796482669 MVEAZQAHUOOHDR-MFKICJERSA-N 484.915 2.475 10 20 JECD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)nn1C(F)F 1798677160 VKSIJJMNGAGYPD-DRXBFXEBSA-N 470.860 2.168 10 20 JECD COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c1 1799771011 ZKJYSGZGTYFMRU-VPTLXERWSA-N 460.914 2.206 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc(F)c1F)C2 1802082497 OLQDJIGQWRUBHD-YXGXIAIWSA-N 478.423 2.137 10 20 JECD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c2cc(O)ccc2n1 1804333327 LJYPZBPSXMXZQO-QDMKHBRRSA-N 484.603 2.361 10 20 JECD Cc1nnsc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808467295 FJSKFZMJPQPBBH-DYESRHJHSA-N 489.561 2.354 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCc2ncc[nH]2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470250 UTJODCJVXQTAMU-UQBPGWFLSA-N 485.548 2.236 10 20 JECD Cc1nc[nH]c1CSCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810192366 AGZIOSDKTLOAHB-AOMKIAJQSA-N 482.566 2.172 10 20 JECD Cn1cnc(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)c1C(F)(F)F 1810552111 PHRNEWJAVJBCQQ-UHFFFAOYSA-N 467.448 2.404 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccc1 1811670861 KHVMLJYSHHZGTL-YLJYHZDGSA-N 454.577 2.262 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)[C@@H]1Cc2ccccc2N1 1812434508 YTFHVAMJIVBBEU-MONBJTKQSA-N 459.506 2.244 10 20 JECD Cc1ncc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)s1 1813373334 DXWCDLTVXGWPBL-BTYIYWSLSA-N 453.524 2.215 10 20 JECD Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c(O)c1 1814192896 YFFFBGUYRUNKFF-HRAATJIYSA-N 484.603 2.276 10 20 JECD CCOc1ncccc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816716545 FTOUJWPLZJBHFX-GFCCVEGCSA-N 455.496 2.283 10 20 JECD O=C(Cc1ccc2c(c1)OCO2)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1816997186 VIMQTFWGFSKGNC-INIZCTEOSA-N 465.466 2.493 10 20 JECD CN1CCN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CC1 1818914135 GEEXVFQXPQFALI-QGZVFWFLSA-N 476.965 2.028 10 20 JECD COCc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c1 1820158245 FMPWJXAZZZVZPS-OAHLLOKOSA-N 476.584 2.050 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1820210248 QYHDEAIBRWLIFU-DGCLKSJQSA-N 454.512 2.071 10 20 JECD COC(=O)C1(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1827717725 UOXBWJABBBJOIS-OAQYLSRUSA-N 480.565 2.352 10 20 JECD CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1828841828 RAUDQEUORVRXQQ-VWLOTQADSA-N 482.537 2.359 10 20 JECD COc1ncc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cc1F 1832896529 KIIYTRHBXKPZJF-QGZVFWFLSA-N 494.614 2.323 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1ccc2ncnn2c1 1835632884 KYNRUWJZTDPZOB-UHFFFAOYSA-N 498.971 2.293 10 20 JECD Nc1c(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)sc2nccnc12 1837907516 QYFNQXDQGWSQSW-UHFFFAOYSA-N 498.565 2.006 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)[C@@H]3Cc4ccccc4N3)CC2)CC1 1838031793 NGNTYWXVBOHBPP-NRFANRHFSA-N 466.538 2.142 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)c1cocn1)C2 1844251595 JYHJLTDTXZTEBY-INIZCTEOSA-N 486.525 2.039 10 20 JECD Cc1ncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)[nH]1 1847912041 PMSCZAGBGIJBSB-NEWSRXKRSA-N 499.568 2.081 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccccc2NCCO)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9162563 XOGUSGPLSMJZQI-UHFFFAOYSA-N 471.535 2.185 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCC(=O)Nc3cccc4cccnc34)CC2)cc1 725865877 PYMWAWQFVWVBMC-UHFFFAOYSA-N 462.554 2.303 10 20 JECD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 726766807 MMSJOODRRCKIDZ-UHFFFAOYSA-N 473.598 2.179 10 20 JECD CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)CC1 728392706 DNDSIQKTBONJBU-UHFFFAOYSA-N 498.603 2.194 10 20 JECD CC[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(S(N)(=O)=O)c1 729231120 SBSKMDCFAQVSIK-JOCHJYFZSA-N 460.600 2.493 10 20 JECD CC(C)(C)OC(=O)NCCNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 742750711 CQYUGHPVDAAFDP-UHFFFAOYSA-N 473.553 2.266 10 20 JECD CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(CC(=O)N4CCSCC4)cc3)ccc21 749034519 OHBWTSOLQRAQBU-UHFFFAOYSA-N 466.607 2.442 10 20 JECD Cc1cc(C(=O)COC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c(C)n1-c1ccc2c(c1)OCCO2 762392525 UOYSSFAXBJXNLG-UHFFFAOYSA-N 497.529 2.089 10 20 JECD CS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cn1 800728518 SEZALLBJBGXKLD-UHFFFAOYSA-N 464.550 2.294 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)CC2)cc1 913126274 MDOWVFPLBDYMSS-SFHVURJKSA-N 499.543 2.424 10 20 JECD COc1ccc(N2CCCN(CC(=O)NCCN3C(=O)S/C(=C\c4cccnc4)C3=O)CC2)cc1 917207780 IJWVJSPSVUIOIX-JWGURIENSA-N 495.605 2.455 10 20 JECD COC(=O)[C@H](C)NC(=O)c1ccc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c([N+](=O)[O-])c1 917391535 YYMAWHRZIMJSJK-YJBOKZPZSA-N 483.525 2.200 10 20 JECD CCOc1ccccc1N1C[C@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1=O 917832300 SEDLWGGGAOCMIQ-VQTJNVASSA-N 464.566 2.456 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3cccc(NC(N)=O)c3)cc2F)C[C@@H](C)O1 918984561 HQOQXTLWUUGBSD-HUUCEWRRSA-N 458.490 2.403 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1 920254921 RTDQERHZMDRGPV-ZHACJKMWSA-N 452.530 2.388 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3cnc(Cl)s3)C2)C1 1779726046 YRFVXTKWXNRISK-OAQYLSRUSA-N 473.942 2.033 10 20 JECD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)n1cccn1 1781122910 AQWDQIKTOBXPOW-JPEVHGAISA-N 462.934 2.336 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781751213 FZDOLKCPNVZPSP-SANMLTNESA-N 466.582 2.452 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008554 DXUZCAXRNMOAOM-NPMXOYFQSA-N 459.930 2.469 10 20 JECD COc1ncccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783219985 MCHAXIAIKMTJPA-WZKXNVEMSA-N 483.521 2.048 10 20 JECD CSc1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785506995 IAGSPNVOZWNDGD-BVBLWJPBSA-N 471.535 2.077 10 20 JECD COc1ccc(OC)c(C(=O)CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)c1 1796602535 OURJATYHIFMPKX-BJWYYQGGSA-N 483.521 2.425 10 20 JECD COC(=O)c1ccc(OCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)cc1 1804291752 VAUWRWSVWAJPDB-IYKZFTADSA-N 496.516 2.320 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cnsn1 1805001196 GBSRBIVPEGTUIK-CVCWVKEYSA-N 467.507 2.083 10 20 JECD CCc1nn(C)c(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1Cl 1805052137 ZPDWUEWSUVEWNO-VLIAUNLRSA-N 484.944 2.471 10 20 JECD Cc1cnc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1805243455 RHMYREHTTANIAD-WMLDXEAASA-N 475.621 2.026 10 20 JECD Cc1oncc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808467519 HHFZLYIXBYLZGC-FDDCHVKYSA-N 472.505 2.491 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccn2ccnc2c1 1809873719 JIFWXXUBWNXEOF-JTSKRJEESA-N 458.478 2.169 10 20 JECD CC1(C)CC(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)C1 1813128348 BVEZUHCQEVRTKB-HNAYVOBHSA-N 460.625 2.384 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccon2)[C@H]1c1cccnc1 1814162434 JXDYXSOZKZAZRF-XGBCVQCSSA-N 450.451 2.219 10 20 JECD CCCNC(=O)CCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162767 XIMDYDNDMPMCJJ-YGFSBTMISA-N 496.564 2.224 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2[nH]cc3c2CCC3)[C@@H]1c1cccnc1 1814190153 ROLTUTFQWGASNG-IIBYNOLFSA-N 483.619 2.078 10 20 JECD O=C(CS[C@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816726435 WBKAVMYHYZDDNC-XIKOKIGWSA-N 464.569 2.435 10 20 JECD Cn1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)n1 1818146416 HGKTYJRDDNODLG-LJQANCHMSA-N 460.498 2.242 10 20 JECD O=C(/C=C\C(=O)NC1CC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1819531300 ANAQJMHXHBYWNB-FJOGCWAESA-N 476.942 2.268 10 20 JECD COc1ncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cc1F 1823497163 RRCLIGALWCHJQC-AWEZNQCLSA-N 492.558 2.119 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC=CCC1)CCO2 1830565500 RGTMERJBXWUHLT-IVZQSRNASA-N 450.919 2.178 10 20 JECD O=C(c1cc(O)ccc1O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902067 XCXYBQPLSGKOFD-KRWDZBQOSA-N 477.608 2.191 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnc4)CCO3)C2)cc1 1834388453 PGKDBLDUDONRLQ-AREMUKBSSA-N 477.565 2.061 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CCCCC1)CCO2 1836618462 MYDXZDDIQGWPKB-NRFANRHFSA-N 470.925 2.494 10 20 JECD CNc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1837853233 FLEDWKZAQWVTTO-UHFFFAOYSA-N 454.527 2.461 10 20 JECD CN1CCC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)C1 1838110449 LAKINHYZMWUWGZ-HXUWFJFHSA-N 495.624 2.120 10 20 JECD Cc1ccc([C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1839948744 GAOMZOLJCSNUQS-OUIOLJNISA-N 496.560 2.385 10 20 JECD COc1cccnc1CCC(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1842012768 NFVXMXKLSNAEDP-UHFFFAOYSA-N 461.522 2.019 10 20 JECD Cc1nc[nH]c1C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1843521860 QOTLQSMHRPUYQW-LJQANCHMSA-N 482.585 2.253 10 20 JECD O=C1Nc2ccc(C(=O)N3CCCC34CN(C(=O)c3cc(O)nc(O)c3)C4)cc2[C@H]1C1CCOCC1 1844001495 PBGOINBPRIXERX-JOCHJYFZSA-N 492.532 2.086 10 20 JECD CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 906373074 OUQXTLDECOVUFL-UHFFFAOYSA-N 454.511 2.427 10 20 JECD COC(=O)CNC(=O)Cc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 915699749 VNBWNYFWLQYYTD-UHFFFAOYSA-N 454.527 2.019 10 20 JECD COc1ccc(OC)c(CN2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)c1 917023621 ZJHFDDJBZRYTJP-UHFFFAOYSA-N 486.588 2.114 10 20 JECD C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)C[C@@H](C)O1 918288041 SJKPLQFRHHGFCT-HDICACEKSA-N 498.555 2.167 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc([N+](=O)[O-])cc3N)cc2F)C[C@H](C)O1 918799732 HMPOBDDPMSAGOP-KBPBESRZSA-N 460.462 2.403 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cccnc3-n3cccn3)cc2F)C[C@@H](C)O1 919057523 JNBLDPNZTXMOMG-CALCHBBNSA-N 467.501 2.493 10 20 JECD CC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919730180 RTEMJRCODZSKPR-UHFFFAOYSA-N 498.584 2.057 10 20 JECD COc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1S(=O)(=O)NC1CC1 919969152 PFFCWKCNWHUCRD-UHFFFAOYSA-N 473.595 2.275 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc2c(cc1Br)OCCO2 920194299 BCIUGGIDKFQARI-UHFFFAOYSA-N 476.327 2.312 10 20 JECD Cc1nn2cccnc2c1C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 920537020 BGIOGFWHXZRNJF-GASCZTMLSA-N 455.490 2.264 10 20 JECD CCOC(=O)c1c(NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)sc2c1CCC2 920637661 MMPFPDWTCZKHCJ-UHFFFAOYSA-N 482.536 2.286 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NO[C@@H](c3ccccc3)C1)C2)c1cc(O)nc(O)c1 1777847830 BOLVLJBEURWSGU-UMEGOILYSA-N 480.521 2.138 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cccc3c[nH]nc13)CCO2 1782001925 NXAXQLROOGZZMJ-QFIPXVFZSA-N 456.886 2.385 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1snnc1C1CC1)CCO2 1782005504 KFULWUCIWIDSET-FQEVSTJZSA-N 464.931 2.237 10 20 JECD Cc1cccc2c(C(=O)N3CC[C@]4(CN(C(=O)C5=NN(c6ccccc6)C(=O)C5)CCO4)C3)n[nH]c12 1782476621 KPQPMYWZIHAFIU-AREMUKBSSA-N 486.532 2.108 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)C2)C1 1785209390 QHQOUFUKTMHVCO-HXUWFJFHSA-N 469.391 2.408 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4c(s3)CCCC4)C[C@@H]21)c1cc(O)nc(O)c1 1787292291 OODKTRRMPBJPKK-XIRDDKMYSA-N 457.552 2.340 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)cc1O 1787540369 VFOUJBZTDXHHML-LEDOBFOHSA-N 476.533 2.087 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)ccc3F)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540374 WJBGVKZECCEIGM-OHEPNIRZSA-N 482.487 2.351 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)[C@@H]1CCC[C@H]2CCCC[C@H]21 1788215104 KRRXSEBGYZFEAF-FZWBFHRNSA-N 493.695 2.433 10 20 JECD O=C(Cc1ccc(F)c(F)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1795297946 QGXUOTHQISKIQK-VTEUUUEMSA-N 466.868 2.475 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1796056295 DUVDLFOKKCMPPO-XJQOBRGASA-N 452.511 2.350 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(-c2ccc(Cl)cc2)[nH]n1 1798672645 RSDFCZSQRUJWEV-USGNIVHTSA-N 483.912 2.053 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cnc2ccoc2c1 1808130400 LHOHSIGNIRMMCB-YCRPNKLZSA-N 495.586 2.403 10 20 JECD CN(C)C(=O)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1814005686 AJVPPZPEBQGWOG-WMZHIEFXSA-N 489.532 2.223 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)/C=C/c2ccoc2)[C@@H]1c1cccnc1 1814184748 FIIAXZVZPXWDRV-WDWGHXHXSA-N 470.576 2.254 10 20 JECD O=C(CCc1cncnc1)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1815531559 XMOGEUUMELTDEH-MRXNPFEDSA-N 489.561 2.271 10 20 JECD COc1cccnc1CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722253 VHSJRYLYHSYUHQ-CYBMUJFWSA-N 469.523 2.212 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cnccc3Cl)sc2C1 1820272897 CAEYPWPOMQZPMB-VIFPVBQESA-N 482.012 2.278 10 20 JECD Cc1cnc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)s1 1823496658 OACMXWVRNPUDAC-LBPRGKRZSA-N 464.598 2.341 10 20 JECD COc1cccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)n1 1825112254 WWEPVZQOVIRLAK-IBGZPJMESA-N 454.527 2.372 10 20 JECD CC(=O)N(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715426 TWZGWMJYPWJBNF-HSZRJFAPSA-N 481.597 2.267 10 20 JECD Cc1cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)no1 1832134788 FHXKRIBPNHKBNI-KRWDZBQOSA-N 464.613 2.006 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(Br)CC2)CC1 1832900544 IGFPDFBVKFIVBP-CQSZACIVSA-N 488.473 2.394 10 20 JECD COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)ccn1 1832900915 LYZXAIOXQYQKCG-QGZVFWFLSA-N 476.624 2.184 10 20 JECD C[C@H](Nc1nccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902436 MDPBZZPQUDCJCH-GOEBONIOSA-N 495.696 2.424 10 20 JECD Cc1noc(C)c1C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835132877 WLYLBPDUQWVDCB-UHFFFAOYSA-N 492.580 2.270 10 20 JECD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc(C)n1 1839433755 AXEUWJMYBNJMKH-DEOSSOPVSA-N 489.956 2.401 10 20 JECD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)c1ccc(O)cc1 1839433796 VGQKBPGQTILFON-OWJWWREXSA-N 490.940 2.331 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCCO1)C2 1843331394 SOJSVQXEXFAYEP-UXHICEINSA-N 472.586 2.087 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cn3ccc(C(F)(F)F)cc3n2)C1 1845576192 LLWUQHZCSPQOJM-UHFFFAOYSA-N 497.524 2.030 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)CC2(O)CCC2)C1 1846732183 INWBAODXFFMYRI-HXUWFJFHSA-N 486.613 2.213 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(O)nc(O)c2)C1 1847622674 AZQAOLAJVRXACY-SZMVWBNQSA-N 474.558 2.345 10 20 JECD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1 728980319 AZMBKEWRPWQBRK-HNNXBMFYSA-N 476.551 2.466 10 20 JECD CCS(=O)(=O)N(C)C1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 731360083 VJVPPCRJFRWDAH-CALCHBBNSA-N 470.611 2.395 10 20 JECD Cc1ncc(C(=O)OCC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)s1 748884502 VRSPVJFCZISMLI-VIZOYTHASA-N 491.572 2.355 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2F)C[C@@H](C)O1 918286813 KHXBECQXAHJWCA-IYBDPMFKSA-N 456.518 2.396 10 20 JECD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 918309066 UGJHPRKVLJZTKG-UHFFFAOYSA-N 484.622 2.475 10 20 JECD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1 919971048 HKIFWAZSDNMYCA-UHFFFAOYSA-N 453.536 2.387 10 20 JECD CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 920187964 BDEWGWXOWOMZIT-UHFFFAOYSA-N 456.518 2.399 10 20 JECD C[C@@H](NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccc(N2CCOCC2)cc1 920872160 OZLWDCAEEVOZNI-GOSISDBHSA-N 483.594 2.061 10 20 JECD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)ccc1C 1780783358 QIRUDHHGRFDRCA-VQEXNLMWSA-N 468.506 2.277 10 20 JECD CCc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)cc1 1780788435 ABFPAEKMKJEUOY-SANMLTNESA-N 460.534 2.485 10 20 JECD Cc1nccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)n1 1781122779 NHUXIVUKLYWLLT-XMSQKQJNSA-N 460.918 2.291 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCN4CCN(C)CC4)CCO3)C2)cc1 1781753891 OCUMNGKTTMYPGA-NDEPHWFRSA-N 493.652 2.175 10 20 JECD Cc1onc(-c2ccncn2)c1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007682 VYEVRXINAOGKHT-HSZRJFAPSA-N 499.911 2.262 10 20 JECD Cc1ccn2c(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)cnc2c1 1782008996 NHPDWOCCGCFWKX-QHCPKHFHSA-N 470.913 2.465 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@@H]1C[C@H]2CC[C@@H]1O2 1782024873 AWACIEXKCYHGBT-QWNSIRQHSA-N 464.946 2.446 10 20 JECD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)n1cccc1 1782440668 PVUCZXBFFYGMHN-KCVHQNEMSA-N 477.565 2.356 10 20 JECD Cc1cccc(C)c1SCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1788758683 JTKPQITXBWZQBF-WDSOQIARSA-N 471.579 2.495 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1nccc2occc12 1795974476 FKQFEPJOGLLZGP-IVWMJMPLSA-N 457.870 2.409 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1csc(C(F)(F)F)n1 1798260106 SINGYWPDDJLZRA-AATIHZDLSA-N 499.467 2.195 10 20 JECD Cc1nc2ccc(F)cn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1799953836 JJGGZKFOXWPQTA-HBCWATKFSA-N 488.903 2.363 10 20 JECD O=C(Cc1c(F)ccc(F)c1F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804331194 QKUVMMCCAMOIDL-ZSBIGDGJSA-N 471.526 2.145 10 20 JECD CC(C)(O)CC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1806781339 OJGWOJLMODLJOZ-QXMHPGBQSA-N 455.511 2.079 10 20 JECD O=C(CNc1ccc(F)cc1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807069103 YEXHGWTWQOEOKQ-WAIKUNEKSA-N 465.485 2.459 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)C1 1807999595 VBRMRZYHSCKLQN-PAODICLVSA-N 482.537 2.187 10 20 JECD COCc1oncc1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1808824337 ZAYXAXAYOUVOGV-VVVOIBFMSA-N 494.504 2.366 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3cccc4c[nH]nc34)C2)CC1 1810622089 MERZTEWCWBZGBO-UHFFFAOYSA-N 471.608 2.268 10 20 JECD COCCOCC(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811804334 VOHBCIWNFKCIDS-QRWLVFNGSA-N 463.918 2.129 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc2ncccc2[nH]1 1812077211 RVBVEILBZOSNIQ-NYHFZMIOSA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc2ncccc2[nH]1 1812077212 RVBVEILBZOSNIQ-OYHNWAKOSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cc2ncccc2[nH]1 1812080467 XCQPFKJKNNLADO-QVKFZJNVSA-N 494.602 2.138 10 20 JECD O=C(Cc1ccccc1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1813815628 GADDUPXXSCZRMF-ZDUSSCGKSA-N 460.606 2.158 10 20 JECD O=C(CCNC(=O)c1ccccc1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1814023820 RODSTTPBJUOLRA-NTKDMRAZSA-N 489.532 2.028 10 20 JECD Cc1c(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cnn1C 1814162977 SVTLRLKURRUOHL-XZSBDORCSA-N 477.521 2.273 10 20 JECD Cc1ccncc1CCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814185242 OADCFAOUIJKEHY-CVDCTZTESA-N 497.646 2.284 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3ncccc23)[nH]n1 1823498864 XJFZWIZEBCOROH-HNNXBMFYSA-N 483.579 2.452 10 20 JECD CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715145 NGDAPBONHQJRJO-PKTZIBPZSA-N 465.598 2.493 10 20 JECD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)nn1C 1828195343 MJDHEXBROXJIEB-GBVBUYCNSA-N 469.523 2.241 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCOC1)CC2 1828199741 FQUHYKOPSCRPQA-RFHLNLMPSA-N 459.524 2.312 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@]2(C1)CN(C(=O)C1CCC1)CCN2C(=O)OCc1ccccc1 1828771353 PHLUFRLAWIWMJB-SANMLTNESA-N 494.548 2.359 10 20 JECD Cc1noc(C)c1CC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896792 PTFXEYWTGFLKNH-GOSISDBHSA-N 478.640 2.314 10 20 JECD O=C([C@@H](O)Cc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899916 NXWQPRVIDLETFO-PMACEKPBSA-N 489.663 2.070 10 20 JECD CC(C)(C)n1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)n1 1833588544 HJHAGZFICZCEMF-HSZRJFAPSA-N 492.960 2.087 10 20 JECD CC(C)O[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835792075 BSWKHQKIFNMWCP-IBGZPJMESA-N 483.613 2.164 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CC1 1838606796 RGUMRUVEJLCDKE-UHFFFAOYSA-N 497.589 2.437 10 20 JECD COc1ccc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1839359872 CJFSFDHNLYTSJA-XMMPIXPASA-N 490.940 2.452 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3nccc4occc34)C2)C1 1839433788 BKECNJWWFITVGK-QHCPKHFHSA-N 487.896 2.276 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)C3Cc4ccccc4C3)C2)C1 1839435565 PFOVQDLSUAHFPK-VWLOTQADSA-N 486.952 2.236 10 20 JECD C[C@H](Cc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840302024 RGFPIORLWZYRKI-OUIOLJNISA-N 496.560 2.152 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1ccc(O)cn1)C2 1843331421 VWUGCQVCUAYMBP-OAQYLSRUSA-N 495.580 2.322 10 20 JECD COc1ccc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cc1NC(C)=O 1843442354 DEGHAWLXXJIZSZ-UHFFFAOYSA-N 489.532 2.264 10 20 JECD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1846965911 NBLSPHYXJXEJRO-XAVKZTDYSA-N 475.542 2.323 10 20 JECD O=C(c1ccnc(Br)c1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038172 CNYUGXKWBDVBIT-HWKANZROSA-N 474.311 2.491 10 20 JECD C[C@@H](OC(=O)[C@]12CCC(=O)N1CCS2)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 916532057 BHFFEADFDRIBID-YEBMWUKDSA-N 464.499 2.398 10 20 JECD CC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1Cl 918462460 AHRNSVQNQPUCNP-INIZCTEOSA-N 471.945 2.255 10 20 JECD O=C(Nc1cccc(N2CCOCC2)c1)c1cc(I)ccc1-n1cnnn1 918670016 DXQHCJOVJJKSED-UHFFFAOYSA-N 476.278 2.356 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccccc3NS(C)(=O)=O)cc2F)C[C@H](C)O1 918951571 MZNVBNMXWWCDRR-HOTGVXAUSA-N 493.557 2.284 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cn2ccccc2n1 1778479284 RLCCZWZMUQDJCA-LEKYLPEBSA-N 492.532 2.292 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cc3cnccc3[nH]1)CCO2 1782005595 QAGJEOUJUNGVRH-QFIPXVFZSA-N 456.886 2.385 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)C2)C1 1783251666 KELIZRJYJTXBNU-IYIUGGLFSA-N 456.539 2.473 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)nc3)C[C@@H]21)c1cc(O)nc(O)c1 1787293241 CXSPSROWELOAFN-VCOUNFBDSA-N 474.517 2.462 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1c(F)cncc1F 1789008652 NNXTWERMXWDJRS-ZMNCSTGQSA-N 467.856 2.332 10 20 JECD CCOc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1 1789666854 QBNUKYWILMJMTC-APTRMMRNSA-N 490.560 2.472 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)c(F)c(Cl)c1)C2)c1cc(O)nc(O)c1 1796140155 DOUONICVVVAABE-KSPBDQMDSA-N 470.284 2.456 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3c(Cl)cccc13)C2)c1cc(O)nc(O)c1 1796140913 HLOKHKGXVXMSHK-DBWKPXFBSA-N 456.886 2.145 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)c1cccc(Br)c1)c1cc(O)nc(O)c1 1799873466 JYSHUGHWSNFBFT-YYAJDYIMSA-N 476.327 2.241 10 20 JECD CCC[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)CC1 1800654261 VELTYZKVDROHED-SMOZFGAISA-N 467.657 2.043 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc(F)cc(F)c1F 1801772106 ZOPQYSUUFIODFI-YXGXIAIWSA-N 478.423 2.137 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12)C1=NN(c2ccccc2)C(=O)C1 1801926741 ZPOPNCTVOHGWNC-AVIYLWBTSA-N 497.555 2.328 10 20 JECD COc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cn1 1804265727 PPHAPASIWWWSJO-MHECFPHRSA-N 477.521 2.244 10 20 JECD CCn1nc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1C 1807994587 IWDYEXKTUKZXCU-IERDGZPVSA-N 450.499 2.046 10 20 JECD C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)O1 1814163863 OIBVQHCUSDMTFA-GOWYFPOYSA-N 467.522 2.485 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccccc2)[C@H]1c1cccnc1 1814190253 VBNXVFXLXHZWQP-XLIONFOSSA-N 454.577 2.262 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc(-n2cnnc2)cc1 1814702821 NFNFHRQFCHZVRX-CQSZACIVSA-N 477.506 2.070 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-n3cccn3)nc2)[nH]n1)c1cc(O)nc(O)c1 1817846377 UNRWWQFJIOJKLK-QGZVFWFLSA-N 474.481 2.416 10 20 JECD O=C(CN1CCSCC1)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823705901 ABSYWHNBUWBXHA-LBPRGKRZSA-N 483.015 2.482 10 20 JECD CC(C)[C@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1824254885 XRCYXAJWYUXRCJ-GGAORHGYSA-N 454.571 2.416 10 20 JECD O=C(c1cnn2cccnc12)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428047 YKJTXNBPTPRCFE-GOSISDBHSA-N 450.499 2.083 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)CCN1CCCC1)CC2 1828200891 VPYGNPUTFZTZML-SGJXGLNRSA-N 472.567 2.371 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)Cc1c(F)cccc1F)CC2 1828247244 QZPNYDMUUCQRKY-SNVBAGLBSA-N 496.586 2.436 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1scnc1C1CC1)CCO2 1833731397 MZOVDKLBTQCMJM-QFIPXVFZSA-N 493.969 2.469 10 20 JECD CC/C=C(\C)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838819108 LETDZQGISUJRGK-SYZQJQIISA-N 453.630 2.202 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)n2ccnn2)CCO3)cc1 1839710570 NMETVEBBZWVRIY-HFZDXXHNSA-N 492.580 2.017 10 20 JECD C[C@@H](C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)N1CSCSC1 1847038257 HGYIGPSBBHQIAD-YVZNUBBCSA-N 465.597 2.063 10 20 JECD COc1ccc(CN2C[C@H](C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2=O)cc1 726621579 NHAMRLGCIWUFHI-LJQANCHMSA-N 455.530 2.460 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(NS(C)(=O)=O)cc3F)cc2F)C[C@H](C)O1 728295137 ZIBHXGJOTGJHLY-KBPBESRZSA-N 489.566 2.428 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c1 729064007 NGTYUMVOCAZJAH-KGLIPLIRSA-N 452.471 2.008 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCC(C)(C)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 914532667 RGMLKNXBDNHCQB-OYRHEFFESA-N 461.651 2.394 10 20 JECD COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)c1 914849788 YJRWOMXPUDLWOW-UHFFFAOYSA-N 488.591 2.484 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H](CO)NC(=O)c2ccccc2)c(C)n1-c1ccc2c(c1)OCCO2 917502226 KFEKBKWTWNBISM-NRFANRHFSA-N 478.501 2.382 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 918138851 YZLXNZABJQEDNG-IBGZPJMESA-N 477.558 2.050 10 20 JECD Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1-n1cnnn1 918278078 RAKQSFZBRULFIK-UHFFFAOYSA-N 489.458 2.081 10 20 JECD COc1ccc(-c2noc(CCC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)n2)cc1 918339745 GRHDWGUWLIOKPU-UHFFFAOYSA-N 470.551 2.229 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C3=NN(c4ccccc4)C(=O)[C@H](C)N3)cc2F)C[C@@H](C)O1 918633026 ITPPTGQMCPUVMS-BBWFWOEESA-N 453.518 2.394 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(CN2CCCCC2=O)cc1 918645453 UNXJYSPWZSFUBG-UHFFFAOYSA-N 455.580 2.364 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCN3C(=O)c4ccccc4C3=O)cc2F)C[C@@H](C)O1 918791690 UXKLKODWXUZOGV-CALCHBBNSA-N 497.523 2.285 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2F)C[C@@H](C)O1 918946527 WZMOTQUXFXCPTK-GASCZTMLSA-N 499.461 2.479 10 20 JECD CCCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 919783397 VCIFBOFFPYBWTD-UHFFFAOYSA-N 483.592 2.390 10 20 JECD CC(C)N1C(=O)c2ccc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2S1(=O)=O 919971239 MXZYWYJCYPROSC-UHFFFAOYSA-N 475.542 2.270 10 20 JECD CSc1ncccc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1779842394 NNZCUHURIIXAKJ-BVBLWJPBSA-N 471.535 2.077 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4occ(-c5cccnc5)c4[nH]3)C2)C1 1779970255 YKJNOJVDCMKARP-VWLOTQADSA-N 489.488 2.386 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccn2nccc12 1781296022 KFTQTSCATQKYEO-YRHVXKOMSA-N 492.532 2.292 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1782005632 RTANWJBULTUHRY-WMZHIEFXSA-N 458.898 2.198 10 20 JECD Cc1noc(C)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783219754 BWGNHUSQYYYJEM-BUTSGQJWSA-N 471.510 2.249 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)C2)C1 1783251659 KELIZRJYJTXBNU-FABGBRBGSA-N 456.539 2.473 10 20 JECD Cn1c(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc2ccccc21 1785503168 BVROODMXCGXZQO-MFRZQGIHSA-N 491.544 2.381 10 20 JECD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)ccc1F 1785509994 KMCFCNLQJQNOJO-PTGVWUEVSA-N 456.470 2.408 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1785563230 YTCCDBXMHRASBP-OWJWWREXSA-N 487.940 2.013 10 20 JECD CN1CCCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1803162080 MFQKCYIKMMWZBE-QFZRFWILSA-N 488.592 2.365 10 20 JECD Cc1cc2nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CN3C(=O)CSC3=S)[nH]c2cc1C 1804333060 BUDKWWLQMXCGSR-QDMKHBRRSA-N 471.608 2.292 10 20 JECD Cn1cc(CCC(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cn1 1807433729 JNAOGZCPZSLHFM-OCNLRBMOSA-N 491.548 2.284 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(Cl)cnc2O)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993324 WMMPELBDSKTFQK-ORAYPTAESA-N 469.885 2.275 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2c[nH]c3nccc-3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993432 KQJONSDVZGIOHI-IIBYNOLFSA-N 458.478 2.349 10 20 JECD CN1CCC[C@H](C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)C1 1808470366 WIWBXWYAVAHJLV-TYBLODHISA-N 488.592 2.222 10 20 JECD CN(CC(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1)C(=O)OC(C)(C)C 1810543558 IRXYJQBPAVWSMH-UHFFFAOYSA-N 462.547 2.205 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccncc1Cl 1810738435 JDVGKDBBXABJEI-KUHUBIRLSA-N 490.010 2.310 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)nn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811797264 CNRAEFHHGGQBNN-BFUOFWGJSA-N 469.885 2.275 10 20 JECD CCOCCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813540820 VVJWDMNYNZOZET-XZSBDORCSA-N 455.511 2.344 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccno2)[C@@H]1c1cccnc1 1814162148 GSZMPQIQBILBMN-SFFRXTGVSA-N 450.451 2.219 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cnc1C 1814184633 CECYQMJYJAJSOK-DYESRHJHSA-N 483.619 2.273 10 20 JECD Cc1cncc(CCC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1814186295 ZSBJMIMIWHPYHW-WMZHIEFXSA-N 497.646 2.284 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cnccc2Cl)[C@@H]1c1cccnc1 1814188932 FWZDKVAWBDNVIS-AUUYWEPGSA-N 490.010 2.310 10 20 JECD Cc1ccc(S(=O)(=O)CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cc1 1817008520 MEVHHEXXSHCOOF-GOSISDBHSA-N 499.549 2.304 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccc([N+](=O)[O-])c2c1OCO2 1820239090 HILIWQIHNZJAQE-CQSZACIVSA-N 496.436 2.473 10 20 JECD Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)c(-n2nccn2)c1 1821459724 UPUYZAXKFPDWAD-AWEZNQCLSA-N 491.533 2.378 10 20 JECD Cc1cncc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1 1826010624 UCPLPZAOFYEASS-SFHVURJKSA-N 460.625 2.484 10 20 JECD COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)nn1C 1827716438 LORNPPOVOZGTSJ-QFIPXVFZSA-N 492.580 2.455 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1831188410 SIPAMFQUOSUZRY-ZBLYBZFDSA-N 496.608 2.079 10 20 JECD C[C@@H](Cn1cncn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832875978 FDJDGSBOCDSORN-OEFDOCSMSA-N 483.569 2.364 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899137 AHGORVMLFVRNQX-FUHWJXTLSA-N 490.651 2.329 10 20 JECD COC[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833527714 GUVRVFJEAIRSRH-CQSZACIVSA-N 453.967 2.219 10 20 JECD COc1ccccc1CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834986052 XKQJQWRGYUKPBC-UHFFFAOYSA-N 482.581 2.319 10 20 JECD CCc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc(C)n1 1835241552 RRLUGPRBEPOKMA-UHFFFAOYSA-N 467.570 2.258 10 20 JECD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)N1C[C@H]2C[C@H]2C1 1835672269 CWFXPMPZSFCJCH-NXHRZFHOSA-N 491.032 2.277 10 20 JECD CC(=O)Nc1ccc(CC(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cc1 1843441971 WMZXLQUZTDENBR-UHFFFAOYSA-N 473.533 2.184 10 20 JECD COC(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c(C)c1 1843443333 ZATWCVQGSOLFCE-UHFFFAOYSA-N 474.517 2.392 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cnc3ccccc3n2)C1 1843620845 SSAOYLKYEBTXAB-UHFFFAOYSA-N 454.490 2.240 10 20 JECD Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)CC1 10056312 IWUSQXWPSHVWGX-UHFFFAOYSA-N 489.642 2.247 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)nc12 726203717 XPTSCAZSSDVGJU-HNNXBMFYSA-N 492.492 2.084 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)COc3ccc(N4CCCC4=O)cc3)CC2)cc1 757007732 AYNRBWMPCGZRAF-UHFFFAOYSA-N 467.522 2.093 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3cc(C(=O)O)ccc3Cl)cc2)C1 917930350 QVKNZDZPMNGRFP-HNNXBMFYSA-N 451.932 2.218 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1N1CCCCC1=O 918284683 NVFLCNPESLRHGR-UHFFFAOYSA-N 484.528 2.443 10 20 JECD O=C(Nc1cccc(N2CCCS2(=O)=O)c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918297807 TVYNDIFLPURLIN-HXUWFJFHSA-N 473.551 2.078 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCNS(=O)(=O)c3ccccc3Cl)cc2)C1 918372090 KXCGUKUBGXNHIN-QGZVFWFLSA-N 479.002 2.027 10 20 JECD CCn1c(=O)nc(O)c2c(C(=O)NCc3ccc(N4CCOCC4)cc3)cc(C(C)C)nc21 919863013 CNGJCTMBULLYTN-UHFFFAOYSA-N 451.527 2.407 10 20 JECD O=C(CCN1Cc2ccccc2C1=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1778183794 UQJCSHVYXPPVMY-RUZDIDTESA-N 499.951 2.241 10 20 JECD COc1ccnc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1779701361 VETNUTUXWYREGH-ATIYNZHBSA-N 491.548 2.011 10 20 JECD COc1nccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)c1F 1790243439 NFFSMHHJYISHNO-YLVFBTJISA-N 479.892 2.201 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccco3)C[C@@H]21 1792217748 KZTHZGSHXCOUSD-HHXOFPRMSA-N 456.495 2.022 10 20 JECD CC(C)Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)n(C)n1 1796016681 CRFISEHUAYQBJU-YVWYUNDQSA-N 476.961 2.200 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc2sccn2c1 1796115262 OAXPZJUYOHLBDJ-FDHOYWDBSA-N 469.519 2.034 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccn2nccc12)C1=NN(c2ccccc2)C(=O)C1 1800994809 GNTUZOAPIXTRIW-GGPHIMKMSA-N 456.506 2.379 10 20 JECD COc1ncccc1CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804283912 OVYDLHIWNOQGHB-YBBAKNLXSA-N 467.522 2.491 10 20 JECD Cc1nc[nH]c1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808468818 YWZMKVVGMMMAJF-JPYJTQIMSA-N 471.521 2.226 10 20 JECD CCOC(=O)c1cc(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)ccn1 1810546894 MEAQVWIYBKDVTA-UHFFFAOYSA-N 468.510 2.223 10 20 JECD C[C@H](Cn1ccnc1)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813415231 JKCRKVYPKZKRDC-CMVSXKKRSA-N 491.548 2.450 10 20 JECD C[C@H](Cn1ccnc1)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813415234 JKCRKVYPKZKRDC-CVUNGATBSA-N 491.548 2.450 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3CNc4ccccc43)sc2C1)c1cc(O)nc(O)c1 1815032327 OQMWVTLFUIAMGT-OCCSQVGLSA-N 451.508 2.384 10 20 JECD Cc1cc(C)nc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1 1815960404 DWZRSVWBLKQZTG-LBPRGKRZSA-N 475.621 2.241 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817361802 HAXLFFXFMTVHCF-GFCCVEGCSA-N 493.505 2.398 10 20 JECD Cn1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)cn1 1822838677 ABQCOEBKOIPJME-JKNJVXJCSA-N 466.498 2.208 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823475516 UMKWHBAXMGIUKH-RHPXVONCSA-N 471.514 2.099 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)COc1cccnc1)CC2 1828194930 DJRHHJMWYHTEHT-PXYYCUNGSA-N 482.518 2.359 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC(c3ccccc3)=NN2)CC1 1831065974 SALFHDPVKKYOIK-FGZHOGPDSA-N 477.565 2.492 10 20 JECD Cc1ncccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1832640236 OYEJYQHYHDTWEM-DEOSSOPVSA-N 489.956 2.157 10 20 JECD CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)N(CC)CC 1836925476 QDULKTKEUIOUHQ-HXUWFJFHSA-N 462.591 2.225 10 20 JECD O=C(Cc1cccc(Cl)n1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837214750 BCLJXTWBLBKBDW-UHFFFAOYSA-N 474.945 2.396 10 20 JECD Nc1nc(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)cs1 1837891683 NHIRHHNMRKRQMI-UHFFFAOYSA-N 496.593 2.130 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249117 YGZLCKJMINWFFP-IBGZPJMESA-N 496.564 2.446 10 20 JECD O=C([C@H]1CC(c2ccccc2)=NO1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441135 OYJMCEHUGPHPQH-JOCHJYFZSA-N 471.517 2.176 10 20 JECD Cc1cc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)n(C(F)F)n1 1843442678 SYPXLCHUTHKVIG-UHFFFAOYSA-N 456.453 2.197 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cc(F)ccc2I)C1 1845329874 JPCYOBXFGAQVMX-UHFFFAOYSA-N 497.264 2.367 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(-c2ccccc2)on1 1847202179 KGNUGXLTCVYLQG-HOTGVXAUSA-N 456.549 2.017 10 20 JECD CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 726103122 OWYYJXHQNDTPSZ-RBUKOAKNSA-N 459.591 2.445 10 20 JECD Cc1cc(NC(=O)CN2CCN(Cc3c(O)ccc(C(=O)c4ccccc4)c3O)CC2)no1 728194067 FBAALRLBGLCTBT-UHFFFAOYSA-N 450.495 2.382 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)oc(=O)n4C)cc2F)C[C@H](C)O1 728402049 HZGYGCOHLKKUCN-KBPBESRZSA-N 456.474 2.139 10 20 JECD COC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1C 728752381 DCSCWXRMYBQKQH-UHFFFAOYSA-N 468.554 2.057 10 20 JECD CN1CCCc2cc(CNC(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)ccc21 746981074 KQCNFZBNMASPTG-UHFFFAOYSA-N 473.555 2.193 10 20 JECD COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@](C)(CCc4ccc5c(c4)OCO5)C3=O)CC2)cc1 750959594 CQHBSOYTHYAUJT-AREMUKBSSA-N 494.548 2.016 10 20 JECD C[C@@H](OC(=O)c1sccc1S(N)(=O)=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 774799847 DPIHWFDWWFROGA-LLVKDONJSA-N 484.511 2.355 10 20 JECD CCN(CC)C(=O)CN(C)C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 913654862 WJRDZGRTKNBKJP-UHFFFAOYSA-N 464.500 2.042 10 20 JECD O=C(CCn1nnc2ccccc2c1=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916457583 GQGOKKBUFJMFIX-UHFFFAOYSA-N 461.444 2.353 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 917524475 AKWSGJCOPMKRSY-UHFFFAOYSA-N 484.578 2.300 10 20 JECD COC(=O)c1ccc(S(=O)(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)s1 917650767 HFTWVBYOHYHYIE-UHFFFAOYSA-N 453.586 2.034 10 20 JECD CCN1CCN(Cc2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)CC1 918285066 VYLALNBWGJSMOD-UHFFFAOYSA-N 483.588 2.055 10 20 JECD CCS(=O)(=O)N1CCC[C@H](C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 919645001 IXVPWGQDFVHILL-CVEARBPZSA-N 498.557 2.394 10 20 JECD CC1CCN(CCNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 919782625 BKQLGJXHLLUZMV-UHFFFAOYSA-N 455.582 2.473 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1779691450 UBTZKVMFPGTTHG-QHCPKHFHSA-N 483.912 2.089 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(N)=O)C2)cc1 1781770958 GNDKZTTUVDIONP-ATIYNZHBSA-N 466.582 2.487 10 20 JECD CN1CCC(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)CC1 1783656788 LXMZXBJTGVQTBV-KNBMTAEXSA-N 465.978 2.076 10 20 JECD CCc1[nH]nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1Cl 1787539066 JUXXKKSSQWNFQT-QOKNQOGYSA-N 498.971 2.012 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C(F)(F)F)CC3)[C@H]2C1 1788219186 XVHKJWHCMKVKFV-ZVZYQTTQSA-N 478.471 2.102 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(F)CCCCC1(F)F)C2)C1=NN(c2ccccc2)C(=O)C1 1796479627 LYHJOVBNISPQFP-LEIHUNCNSA-N 492.498 2.287 10 20 JECD CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c1 1799770343 OLGSSRUIXAHAPD-CWPLJXCYSA-N 473.913 2.227 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccnc2nc1O 1800931793 NWGKRKGROYFUJP-BJKLQHCMSA-N 476.489 2.417 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804286472 YPOJEDJDXZSXOY-ZWGCQNANSA-N 452.511 2.350 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3ncncc3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994742 BDRIDCNOMCVEFU-UZUQRXQVSA-N 470.489 2.464 10 20 JECD CCOC(=O)c1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccn1 1807995045 MSJVDVKCLCGZQN-JTSKRJEESA-N 491.504 2.093 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccn2cncc2c1 1809969874 FPKLHDXIPVJBTE-HTAPYJJXSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811799090 VBICCHAOBNSCRV-MGPUTAFESA-N 468.897 2.413 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)[C@@H]1CCCO1 1812846528 RHZRKELOKLXFBO-AVCGJXAMSA-N 461.522 2.059 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cnccc2Cl)[C@H]1c1cccnc1 1814188935 FWZDKVAWBDNVIS-LIRRHRJNSA-N 490.010 2.310 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccccc2F)[C@@H]1c1cccnc1 1814190112 QSSBLMJTBVUXAA-MGPUTAFESA-N 472.567 2.401 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc3ccoc3cn2)[C@@H]1c1cccnc1 1814190303 WIHNGAXCFJRYBZ-HRAATJIYSA-N 495.586 2.403 10 20 JECD Cc1nc2ncccn2c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817845502 NPKLSAVJNDBFPI-HNNXBMFYSA-N 462.470 2.187 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1nccc2[nH]ccc12 1817906273 PKDKIMCRJRLPQS-HNNXBMFYSA-N 483.579 2.452 10 20 JECD Cc1nc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)sc1C 1821149107 SDHCXNRPLXUTLJ-SNVBAGLBSA-N 481.650 2.303 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccccc1-n1nccn1 1821205978 JDFVTGXJELQTKI-SFHVURJKSA-N 474.481 2.416 10 20 JECD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1)n1cncn1 1823713209 HIOWIFIYEFSUHY-ONGXEEELSA-N 462.919 2.286 10 20 JECD COc1cscc1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828244826 SDOZNDXSXCCBFG-SECBINFHSA-N 482.634 2.299 10 20 JECD CCNC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1828877573 DGXFBOSBCRVFOS-MXFAVLBMSA-N 488.585 2.144 10 20 JECD C[C@H](Cn1cncn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1829056877 GAUJKDPRQGJGCO-YSKVMHACSA-N 483.569 2.364 10 20 JECD Cc1cc(/C=C/C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)no1 1835778340 CGVRVIBHWIDXME-DVFLZCIWSA-N 496.564 2.398 10 20 JECD CO/C=C(\C)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838110509 SAAWKIOYDSZZJO-ISLYRVAYSA-N 468.554 2.328 10 20 JECD CC(C)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)no1 1839431924 WMPBDCNEBZRFMN-QFIPXVFZSA-N 479.917 2.246 10 20 JECD Cn1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C2)c1 1844251646 OHLVWULFVJBOCL-LJQANCHMSA-N 498.580 2.389 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 19126102 QKEXTZBGKSOHLG-UHFFFAOYSA-N 467.975 2.472 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCC(=O)N3CCc4ccccc4C3)CC2)cc1 726618339 HSNLYHNCPWWROM-UHFFFAOYSA-N 465.598 2.091 10 20 JECD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCN(C(=O)CN2CCCC2)CC1 728551932 RVWNZOQAHRZURW-OBGWFSINSA-N 492.692 2.496 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NCc2ccccc2O)c1 748485540 JRSTXTGAWXLQCK-UHFFFAOYSA-N 463.556 2.465 10 20 JECD COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)n2)cc1 748686103 PIWLTPXJZCGGGV-UHFFFAOYSA-N 453.523 2.045 10 20 JECD O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 807755276 LSIAOOFPLNEYQD-CALCHBBNSA-N 474.469 2.119 10 20 JECD COCCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1 919895394 KNAFHRYUMHYEHO-UHFFFAOYSA-N 472.611 2.396 10 20 JECD COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OCC(=O)NC1CC1 920923935 XJEQIMIJNNWERM-QGZVFWFLSA-N 496.564 2.005 10 20 JECD CC(=O)N1CCN(CCOc2ccc(CCNCc3ccc(N4CCN(C)CC4)c(F)c3)cc2)CC1 1321654969 WMYUZKDSDCCKDR-UHFFFAOYSA-N 497.659 2.453 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NNC(=O)C3)C2)cc1 1779310712 RDAPDAAOFCSUOQ-ATIYNZHBSA-N 477.565 2.098 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1ccnc3ncccc13)CCO2 1782007320 CDVQGDWTRNMJRU-QHCPKHFHSA-N 468.897 2.452 10 20 JECD CN(C)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785510071 LVHNRISSQFQLSD-ZYJSVEMRSA-N 467.522 2.026 10 20 JECD COc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)ccc(F)c1F 1785510362 XXINTQOKNCNTHH-CMEAPCDJSA-N 490.459 2.247 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Br)cc3F)C[C@@H]21)c1cc(O)nc(O)c1 1787292010 KMPAZSIZKMXAEW-KCTSRDHCSA-N 494.317 2.302 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cccn2cncc12 1788422426 NRDQHTGWAYZGFE-RISOHXOYSA-N 470.913 2.306 10 20 JECD CCOc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1O 1792217641 CVMCYCCMTGZFPY-HVYBTOTFSA-N 498.532 2.214 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1[C@@H]3CCC[C@H]1c1ccccc1N3)C2)c1cc(O)nc(O)c1 1796137677 CVARQFDSWZPYFL-GZXGFVQQSA-N 478.549 2.074 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc2ncsc2[nH]1 1797981353 QRBXBUOEXDJEFT-CULMDFNYSA-N 462.915 2.206 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1801982075 SVAHLSGDXZINLD-GOOFNZECSA-N 472.542 2.144 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cccc2ncsc12 1804333064 BXQSVPMJOFGDHG-CLLJXQQHSA-N 460.606 2.408 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1806404269 DLNPMBWLFPFADU-QGZVFWFLSA-N 474.558 2.347 10 20 JECD CCc1[nH]nc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1Cl 1807704798 INALFFCFYLTFEQ-XCLFUZPHSA-N 470.917 2.460 10 20 JECD C[C@H](Cc1ccccn1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1813284797 OBCXOXXBVAEBEY-WLENULPWSA-N 461.522 2.481 10 20 JECD Cc1noc(N)c1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814161958 DBOZNPODPYULGB-QHDJWJGNSA-N 479.493 2.110 10 20 JECD Cn1nc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)c2c1CCC2 1818477454 CJEWJRYVADEKBH-PPOCWRSBSA-N 495.561 2.421 10 20 JECD COc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)ccc1[N+](=O)[O-] 1822822356 KHTIIQVHHJRDPX-CYBMUJFWSA-N 499.505 2.335 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)Cn2ccnc2)[nH]n1 1823476692 MNHFQCAUWDETIE-BIENSFFJSA-N 452.471 2.129 10 20 JECD Cn1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)cn1 1823714111 XWAWRSKBCKIWAW-LBPRGKRZSA-N 461.931 2.410 10 20 JECD COc1cccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)n1 1825111854 BFDXCAITNDMCRY-SFHVURJKSA-N 490.651 2.113 10 20 JECD COc1cc(F)ccc1CC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988248 CHBBTCNUPBAQJT-UHFFFAOYSA-N 486.544 2.068 10 20 JECD CNc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1835607143 AGIFHYPSIGHHEH-HSZRJFAPSA-N 475.929 2.177 10 20 JECD O=C(/C=C/c1cccnc1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837193938 QXBGAYBXACPTBY-ONEGZZNKSA-N 452.511 2.213 10 20 JECD Cn1cncc1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837512962 WHBQAURINQMCQO-UHFFFAOYSA-N 462.934 2.411 10 20 JECD C[C@H](C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1)[S@](=O)c1ccccc1 1843442628 XCBSCJZZPFRCMO-JTYJAPAGSA-N 478.574 2.179 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2c[nH]c3ncc(C(F)(F)F)cc23)C1 1844069604 FWKFXAMJPZYMMO-UHFFFAOYSA-N 497.524 2.259 10 20 JECD COc1ccccc1C(=O)N1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(O)c(O)c(Cl)c2)C1 1847456642 CXQYGZKDUHENKZ-OALUTQOASA-N 499.951 2.347 10 20 JECD CC[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(S(N)(=O)=O)c1 729231121 SBSKMDCFAQVSIK-QFIPXVFZSA-N 460.600 2.493 10 20 JECD CNC(=O)CCOc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 729582041 UZWLNZAOZSQNPP-GOSISDBHSA-N 453.543 2.225 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(Oc4ncccn4)cc3C)CC2)cc1 743432780 RGCHBDQHGYNCQW-UHFFFAOYSA-N 490.564 2.463 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cc(NC(C)=O)cc(NC(C)=O)c3)CC2)cc1 812525780 MQVUKHYTUWABAF-UHFFFAOYSA-N 468.510 2.118 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)cc2)C1 918036052 KKYRAELQSZDNCL-NRFANRHFSA-N 479.581 2.111 10 20 JECD COC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918287107 OCRSTTBGPZAXNK-IYBDPMFKSA-N 473.501 2.246 10 20 JECD O=C(Nc1cccc(CN2CCOC2=O)c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918295761 FYOCZOKGDLZMPJ-FQEVSTJZSA-N 453.495 2.491 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c3cccs3)cc2F)C[C@@H](C)O1 918633237 JEQJEVUFYRTMFR-QLFBSQMISA-N 455.577 2.484 10 20 JECD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1=O 919971162 IDKVHMVLGPCAPS-XMMPIXPASA-N 472.492 2.009 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3ccccc3F)C2)C1 1780478693 CPMBUKRCHGOYDM-DEOSSOPVSA-N 450.470 2.062 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCOC1)C2)c1cc(O)c(O)c(Cl)c1 1781123465 QLBOUYHZNNGEGK-JPEVHGAISA-N 452.935 2.305 10 20 JECD O=C(CS[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007708 WGSMDBZDYJHDDO-NQIIRXRSSA-N 470.975 2.455 10 20 JECD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1)n1cccc1C=O 1783222528 YLXFITWAMNBDDC-UNUPSNOVSA-N 497.548 2.206 10 20 JECD O=C(Cc1ccc2c(c1)CCO2)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1783422867 LGOSCVCBHHUYAD-DEOSSOPVSA-N 472.925 2.372 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)[C@H]1CCc2ccoc2C1 1784235939 VTTQQZAHHIBDIP-ZVANBJHGSA-N 482.533 2.194 10 20 JECD Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1 1792217623 DWQJNQPLCHNKPR-IOKJFNJESA-N 452.507 2.419 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cc1 1792218301 QVFYNWWEAPNUDR-IAKIHLPXSA-N 452.507 2.419 10 20 JECD CC(C)COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)ccn1 1796463487 LVWDFTOUDPSIHQ-DCAAUXNUSA-N 497.548 2.150 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(Cl)c1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480417 BQDZWGKIFOTVLU-FAQVEIGNSA-N 466.925 2.336 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn(-c2ccccc2)n1)C1=NN(c2ccccc2)C(=O)C1 1797002960 CUFGKTIGALOYSM-ZHPFXUNLSA-N 483.532 2.312 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ncsc13)C2 1802079488 CVQJWHAFJDGPJW-HFTYUIQFSA-N 481.530 2.330 10 20 JECD CO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1802385239 PPSRVIZZDIVASO-FARZLIQASA-N 474.602 2.378 10 20 JECD NC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1ccccc1 1804285336 LIOAIAXRXGDSPA-FAAKFBLSSA-N 451.523 2.197 10 20 JECD Cc1cc(C)nc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1807818138 MXNHVDMSYDEAQX-DYESRHJHSA-N 483.619 2.273 10 20 JECD Nc1c(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)sc2nccnc12 1807992887 DQHWBMNWFRWMRD-ORAYPTAESA-N 491.533 2.108 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccn3nccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808000649 NXEJQADBECSENM-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD Cc1ncncc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1810969483 XDSCPNGSTOWYAE-YADARESESA-N 483.532 2.293 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cn2ccnc2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811798327 MKQRLOWSKGXZML-YWZLYKJASA-N 455.902 2.363 10 20 JECD Cc1ccn(CC(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1814162968 SQEIUWQMDFZJLI-DBUITHOJSA-N 477.521 2.123 10 20 JECD Cc1noc(C)c1CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815946675 CSVVQAZVSACBCR-MRXNPFEDSA-N 490.611 2.500 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1cncnc1 1816511062 NUDFUIZGVSDRNS-YERXGYGTSA-N 450.455 2.336 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1Cc3ccccc3O1)CC2)c1cc(O)nc(O)c1 1816725254 GPVVVJLCHOWQTE-CZUORRHYSA-N 452.492 2.179 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1noc3c1CCCC3)CC2)c1cc(O)nc(O)c1 1816726200 SPJHMEPXSCZXPQ-LLVKDONJSA-N 455.496 2.356 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN)n[nH]1 1817238262 FNMFNNXZRHVRQR-RTBURBONSA-N 485.589 2.079 10 20 JECD Cc1cnoc1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361971 NNAFVGXTGJMEBF-CYBMUJFWSA-N 464.507 2.458 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)[C@H]1CCCO1 1817656725 ZTMXPOQLAXJJMF-RBUKOAKNSA-N 450.499 2.374 10 20 JECD Cc1ccc(C(=O)NCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cc1 1817848689 XPBKUKSJSPMFRG-SFHVURJKSA-N 478.509 2.260 10 20 JECD C[C@@H](Cn1cncn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146742 AUBBWSXTSNJFJT-OXJNMPFZSA-N 489.540 2.123 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cc4cnccc4[nH]3)sc2C1 1819306494 NUQMZNFURUQXTF-NSHDSACASA-N 486.604 2.106 10 20 JECD C[C@H](Cn1ccnc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1826826201 QATWKJJRVJQTKJ-CVEARBPZSA-N 491.577 2.381 10 20 JECD COCCOCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715664 OUMBDESNIKXNNC-QFIPXVFZSA-N 470.570 2.062 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)COC1CCCCC1)CC2 1828241746 BSRMRGGFYVBCHL-GFCCVEGCSA-N 482.653 2.265 10 20 JECD CCc1noc(C)c1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828244724 OSZRRMLSWTZQMD-SNVBAGLBSA-N 479.609 2.088 10 20 JECD C[C@@H](Nc1cnccn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1828940355 GKTGQRNBTOBZHM-QAPCUYQASA-N 454.531 2.017 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)CC[C@H]2CCOC2)CC1 1832459770 RRLKINTYXODSEH-WMZOPIPTSA-N 467.657 2.283 10 20 JECD O=C(c1cc(Br)c(O)cc1F)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250277 HCHWZUXSRWEHJN-UHFFFAOYSA-N 466.263 2.231 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)C(F)F)C2 1844251628 MTUYVLJSGCGGFD-AWEZNQCLSA-N 469.485 2.002 10 20 JECD COc1ccc(N2CCC(NC(=O)N3CCN([C@H](C(N)=O)c4ccccc4)CC3)CC2)cc1 726703592 HVLPUBYUDCZCCQ-QHCPKHFHSA-N 451.571 2.218 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)c1 729062859 FWNLDVZHVVCAET-OAHLLOKOSA-N 488.566 2.468 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)N1C[C@@H]2CNC[C@@H]2C1 842517311 JNFQAVCPIOWZEE-CRRTZHACSA-N 452.399 2.328 10 20 JECD CCN(CC)c1ccc(CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 916502987 YJERYNNFWFAQGA-UHFFFAOYSA-N 475.611 2.421 10 20 JECD O=C1CCc2cc(F)c(NC(=O)C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2N1 918442806 OYDBTWBVWWWRLZ-UHFFFAOYSA-N 454.502 2.174 10 20 JECD CN(C)c1c(Cl)cccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918464575 BFDAXUQZYBODMP-INIZCTEOSA-N 457.962 2.363 10 20 JECD COC(=O)c1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 920637981 PLTKHQMBTGEORP-LBPRGKRZSA-N 450.469 2.043 10 20 JECD CCCCNc1ccc(S(=O)(=O)N(C)C)cc1N/C=C1/C(=O)NC(=S)N(CC(C)C)C1=O 920980305 IEJWVDKXWWQIPT-VBKFSLOCSA-N 481.644 2.344 10 20 JECD Cc1ccc(N/C=C2/C(=O)NC(=S)N(CC(C)C)C2=O)cc1S(=O)(=O)N1CCCCC1 920980601 QWHLTSDOHLQADD-ATVHPVEESA-N 464.613 2.365 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccc(-c3ncc[nH]3)cc1)CCO2 1785511639 QQNJRJLXOVGBCN-AQBQYSGMSA-N 490.516 2.350 10 20 JECD CC[S@@](=O)CCC(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1789424443 GUUVHHRZSLHCDO-SSEXGKCCSA-N 467.638 2.140 10 20 JECD CC(=O)N(C)CCC(=O)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1 1806563486 IJZGBCOGAYFKON-UHFFFAOYSA-N 451.951 2.464 10 20 JECD C[C@@H]1CCc2c(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)n[nH]c21 1809250197 CEXJDDIETKUBJX-DZKLMBRESA-N 462.510 2.294 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc2ncoc2c1 1809410564 NAACZMUBVAMEOJ-IERDGZPVSA-N 495.586 2.403 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(-n2nccn2)c1 1811445705 INENHHSZQGSNAT-MHECFPHRSA-N 499.531 2.410 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cn2cccn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803237 GSRMOGUZAUGPNM-FOIQADDNSA-N 455.902 2.363 10 20 JECD Cc1cccc(CC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1814186760 WUQHQSGAZGDLOZ-AUSIDOKSSA-N 482.631 2.499 10 20 JECD O=C(CC12CCCN1CCC2)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816727236 HSYZJQGMMUGENI-CQSZACIVSA-N 457.556 2.194 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccc4[nH]ccc4n3)sc2C1 1819046911 YYBWESGVXDLHHN-JTQLQIEISA-N 486.604 2.106 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1824533229 NYUZWZIDWOTWQQ-LHUXKHBRSA-N 473.570 2.351 10 20 JECD O=C(c1c(O)cc(O)cc1O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427838 JPWMAJWMSBWQHD-INIZCTEOSA-N 457.483 2.157 10 20 JECD COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)nc1 1827963830 OZWWMHVSNBGZQW-GOSISDBHSA-N 476.624 2.184 10 20 JECD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)c1ccccn1 1828249598 KJRAMTRNUKNLJH-VXGBXAGGSA-N 475.621 2.114 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877485 OCZCBWTZDRVMLK-NFIDKWMQSA-N 473.570 2.303 10 20 JECD O=C(Cc1cscn1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898725 XIMOZKRXKBDBAS-MRXNPFEDSA-N 466.654 2.166 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cncc(F)c3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132691 DRXTZVFZPBJFHF-UHFFFAOYSA-N 492.555 2.199 10 20 JECD O=C(CCc1ccoc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840516173 BBIKXAWJOQRNMG-JOCHJYFZSA-N 464.902 2.047 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)C1 1841815020 MBUDDMBVKNHXIZ-UHFFFAOYSA-N 489.516 2.451 10 20 JECD CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)C1 1843251130 YOQRUWGBGIMBEQ-RDJZCZTQSA-N 474.558 2.393 10 20 JECD CCN(C)[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1845747097 OPKUFPWKMWLHRQ-GHTZIAJQSA-N 487.645 2.248 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N3CCN(CC4CCCCC4)CC3)nnc2n1 109225376 MQQOLSPMWHKPFV-UHFFFAOYSA-N 461.640 2.200 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cccnc3S[C@@H](C)C(=O)N3CCCC3)nc12 726225114 ZCZHLTWGDUBZEW-AWEZNQCLSA-N 499.549 2.467 10 20 JECD COc1ccc(CCNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(OC)c1OC 727847147 WEXFXZKLEZRLPZ-IBGZPJMESA-N 470.570 2.456 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NC[C@@H](c3ccccc3)N3CCOCC3)CC2)cc1 742940085 QRDSYXQVTFKUOV-VWLOTQADSA-N 467.614 2.190 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 742948146 MYCHUMVNDSYEOM-UHFFFAOYSA-N 464.488 2.382 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4OC)C3)CC2)cc1 758162113 JBHPTQYDIMYROB-FQEVSTJZSA-N 496.608 2.394 10 20 JECD CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 857476902 RGVBTUXCISBMSQ-UHFFFAOYSA-N 495.623 2.255 10 20 JECD Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)c2C)c1 914654572 NSKZAJZUINSCIY-VQTJNVASSA-N 486.590 2.472 10 20 JECD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCCNS(=O)(=O)c1ccccc1)c2[N+](=O)[O-] 914723335 PXBWOEVUXFEBDX-UHFFFAOYSA-N 479.470 2.079 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 915393822 DXTJXWJUWRAORA-FQEVSTJZSA-N 473.595 2.355 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 916517263 ZSANSDMIJSLOTM-UHFFFAOYSA-N 488.658 2.221 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3cn(-c4ccccc4)nn3)cc2F)C[C@@H](C)O1 919085953 OIWWUUOGIZIHBF-IAGOWNOFSA-N 467.501 2.493 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCCCN3S(C)(=O)=O)c2C)cc1 919243323 PXDKRYFVGKYBLF-HXUWFJFHSA-N 476.551 2.421 10 20 JECD Cc1cc(C)n2nc(C)c(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2n1 919505533 QYEHTCANDGTFMW-UHFFFAOYSA-N 455.490 2.103 10 20 JECD CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)cc1 919766561 FFNCGYHGSLXQIO-UHFFFAOYSA-N 485.606 2.443 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 919848301 GRLLZFWSPJBOFB-UHFFFAOYSA-N 483.011 2.198 10 20 JECD COc1ccc(N2CCCN(C(=O)Nc3cccc(S(=O)(=O)N4CCN(C)CC4)c3)CC2)cc1 920061539 UPCKWPJROWOJEV-UHFFFAOYSA-N 487.626 2.376 10 20 JECD C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccc(N2CCOCC2)cc1 920888741 ZNPITFMVGMFFFH-GCJKJVERSA-N 473.595 2.472 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)cc1 1781753206 FOCJVHMCKHMUOK-QHCPKHFHSA-N 455.584 2.164 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)o1 1782007131 KIXAFHPBGNLQBA-NRFANRHFSA-N 463.874 2.060 10 20 JECD Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)cc1C 1783245125 BFDXGWFWMLWAMA-NTKDMRAZSA-N 489.663 2.220 10 20 JECD O=C(CCc1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1785418486 RMLAOWWFVDMGMN-DFQPPGIBSA-N 472.563 2.491 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785507489 QCAADZYXCVOEJO-JNHKJOQOSA-N 467.522 2.147 10 20 JECD COc1cc(C)cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785510309 VGGFBGOGMSWDIY-SKFGKQHZSA-N 468.506 2.277 10 20 JECD Cc1ccc(OCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cc1 1786596428 HYPWMEILFLAXPE-CUDYJJFBSA-N 482.533 2.184 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc(Cl)s1 1794687925 HOQSETRFQGNUOK-VTEUUUEMSA-N 472.954 2.398 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1[nH]nc2ccncc12 1796931784 LMEPYVFZEZUVAR-ACHSLPGTSA-N 457.494 2.003 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccnnc2O)C3)cc1 1799620811 CMXDQUORHXBIQN-HATOLVCRSA-N 461.522 2.107 10 20 JECD CC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1ccc(F)cc1 1804288706 BDIWHANOVFSKFM-VBGONSDCSA-N 497.523 2.471 10 20 JECD O=C(CCc1cn[nH]c1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1804505635 DGVNOCZFZDVYHG-FDJIPLHRSA-N 477.521 2.274 10 20 JECD O=C(Cc1cncnc1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1804651894 VYRBRWONJWQCAX-IERDGZPVSA-N 467.913 2.499 10 20 JECD Cc1cc(C)nc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1807818155 MXNHVDMSYDEAQX-UWJYYQICSA-N 483.619 2.273 10 20 JECD Cn1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(C(F)(F)F)n1 1807994842 KMLAEWOAZKECMJ-ACJLOTCBSA-N 490.442 2.274 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc3c[nH]nc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995349 YIAXEGOSNOZCCS-KSFYIVLOSA-N 458.478 2.398 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807999683 MVNSOHGIPMLVFU-IVZQSRNASA-N 493.476 2.443 10 20 JECD CCc1cc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)nn1C 1811138680 HSFJETPCLHYFCN-KBMIEXCESA-N 499.575 2.490 10 20 JECD CCN(CC)C[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812358721 NEXAMJHCDSHWAS-SGXKBVARSA-N 455.559 2.185 10 20 JECD O=C(Cc1cccc(F)c1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1813880702 GOJSEWOENUQNQA-CYBMUJFWSA-N 478.596 2.297 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc(F)s2)[C@@H]1c1cccnc1 1814184730 DUKPDRMIBKLZAH-FZKQIMNGSA-N 478.596 2.462 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)/C=C/c2ccco2)[C@@H]1c1cccnc1 1814186240 YRGUYNYVFDUOTG-KYNLDRKZSA-N 470.576 2.254 10 20 JECD O=C(Cc1ncccn1)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815997625 GGCYWADQSIILQM-IBGZPJMESA-N 472.509 2.227 10 20 JECD Cc1cnoc1C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361972 NNAFVGXTGJMEBF-ZDUSSCGKSA-N 464.507 2.458 10 20 JECD O=C1COc2ccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)cc2N1 1819101873 DQFXATKMNKTZBS-INIZCTEOSA-N 478.465 2.167 10 20 JECD CC(C)(C)c1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)[nH]n1 1820564517 BXCJHFIFINAPLB-SNVBAGLBSA-N 492.652 2.250 10 20 JECD CS(=O)(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821295350 PNKAOEKLBMGIMA-AWEZNQCLSA-N 470.935 2.215 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1)N1CCN(C)CC1 1823712268 BJUUHLQQAISILE-TZMCWYRMSA-N 494.017 2.069 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1823789130 ZAJUYXQTAJFSRG-GGAORHGYSA-N 481.597 2.314 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCS3(=O)=O)sc2C1)c1cc(O)c(O)c(Cl)c1 1824937716 XBIWIUAHLKABLF-BMIGLBTASA-N 485.971 2.011 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCCC3)CC1 1828621420 VVELNTDIIZIFOP-IBGZPJMESA-N 489.667 2.313 10 20 JECD Cc1cc(C)n(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)n1 1832900474 UMEURFMJORVCQX-IBGZPJMESA-N 491.683 2.370 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CC[C@@H]3CCOC3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835133917 LJHSLXMAGXIRFN-HXUWFJFHSA-N 495.624 2.168 10 20 JECD CNCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1835665905 PDCOYTJIWJOXFY-SANMLTNESA-N 468.598 2.164 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cnc(-c3ccccn3)nc2)C1 1842151041 QWBSTZUZLZRUNS-UHFFFAOYSA-N 481.516 2.149 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ncccc2Br)C1 1844506472 SLTSRRVIZLKSNM-UHFFFAOYSA-N 482.338 2.454 10 20 JECD CS(=O)(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1 874091869 FHFRYRJMVMMRFH-UHFFFAOYSA-N 487.606 2.386 10 20 JECD Cc1cccc(N2C[C@H](C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC2=O)c1C 916676659 NQQIXHCPHJYXSN-HXUWFJFHSA-N 455.580 2.208 10 20 JECD CCOc1ccccc1C(=O)N1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 918118129 WBLSFKAZJLYXEN-OAQYLSRUSA-N 493.608 2.455 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)N3CCN([C@@H](C(N)=O)c4ccccc4)CC3)cc2F)C[C@@H](C)O1 918199594 JEOGNXJZVBJMOB-YDIMBITNSA-N 483.588 2.493 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 918305125 BZOUIFKVFMUNOK-UHFFFAOYSA-N 481.597 2.023 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 918643043 IECBRYONNFRTDV-HXUWFJFHSA-N 470.595 2.482 10 20 JECD Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 919133186 YVIXYBSHUIMYEY-UHFFFAOYSA-N 456.484 2.296 10 20 JECD Cc1cc(C(=O)COC(=O)C2(O)CCCC2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 919134056 QCQJEGKNBXEDFC-UHFFFAOYSA-N 490.578 2.146 10 20 JECD Cc1cc(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(Br)cc1 920289792 BXMQPDYNGSVSJW-INIZCTEOSA-N 482.400 2.232 10 20 JECD O=C(CC[C@H]1CCOC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1782772213 UTFJLTJGAIHWPQ-IATMXGELSA-N 482.581 2.110 10 20 JECD Cc1ccc([C@H](C)C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)cc1 1783245856 IKLJMUFNWKPNCU-RGZWJVDOSA-N 489.663 2.473 10 20 JECD CCn1nc(C(C)C)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785507879 XCKOHHZUCGPDAF-UVXPNCNTSA-N 484.553 2.300 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4C[C@@H](O)C4)C[C@@H]32)cc1 1790126633 DTSBKHXLBFJBDQ-VMYYHUPOSA-N 451.567 2.458 10 20 JECD N[C@@H](C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1)c1ccccn1 1792313834 LVLMAELOOFLQCY-LJQANCHMSA-N 469.592 2.076 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CC1 1793843359 RSRCXWMKDSHHRU-PCYWVCGRSA-N 480.565 2.397 10 20 JECD CN(C)c1cccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c1 1799767529 WBYHNIUQLOJXIX-MFKICJERSA-N 489.956 2.099 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)[C@@H](O)c1ccco1 1802519221 AQNCDKXVLABWHG-GLYQVZKVSA-N 487.516 2.207 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1803932850 VZCRXSICCFWGQA-HGHGUNKESA-N 497.552 2.217 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cccc(Cl)n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994336 ULBGWZHLZHBZLE-OYHNWAKOSA-N 467.913 2.499 10 20 JECD CCO/C=C/C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808468865 FQGZUTQLXDJWHR-DFQAGQQESA-N 461.522 2.431 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cccc2c1OCC2 1809003869 NRIMHHSIOBWCBF-UWJYYQICSA-N 496.614 2.196 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2nccnc2c1 1809378605 PWYCOFMUBTWETQ-HXOBKFHXSA-N 470.489 2.464 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(-c2ccncc2)[nH]n1 1810879547 BZBDDKFELHPOQO-HXOBKFHXSA-N 485.504 2.306 10 20 JECD O=C(CSc1nc[nH]n1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1813349307 QFUIGGDYSSUPAD-FZKQIMNGSA-N 488.957 2.376 10 20 JECD Cc1nc(F)ccc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814189437 HSSKMZNYZHKHFH-FOIQADDNSA-N 487.582 2.104 10 20 JECD O=C(Cc1ccc(O)cn1)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367291 WRFOJVLRQDPFGK-HNNXBMFYSA-N 490.545 2.191 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)sc2C1)c1cc(O)nc(O)c1 1821301725 UWSXVCIEDTUGSE-GFCCVEGCSA-N 497.489 2.332 10 20 JECD COc1ccnc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1 1829262490 XJVXCZNQIVPZOD-GOSISDBHSA-N 476.624 2.184 10 20 JECD O=C(CSC1CCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1831362931 OCYYKUCJYSHQIF-JOCHJYFZSA-N 485.002 2.497 10 20 JECD O=C(/C=C/c1ccoc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1832651435 BQYSVWYTUJNFDU-BIWRPXHWSA-N 462.886 2.128 10 20 JECD CN1CCC(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)CC1 1832900740 PPSLIYYVPAZNHD-IBGZPJMESA-N 480.700 2.198 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)[C@H]3CCCOC3)CC2)CC1 1838111636 HLROMYUDQDKZKT-IBGZPJMESA-N 482.581 2.205 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)C1 1841443795 SCUKYCPTLUAGMP-VQHVLOKHSA-N 463.450 2.197 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)c2cccnc2)C1 1842393063 LFEWLJROLXAJPM-IBGZPJMESA-N 496.564 2.446 10 20 JECD COc1cc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)ccc1[N+](=O)[O-] 1843443066 MSWOAYLSFDQKDH-UHFFFAOYSA-N 477.477 2.213 10 20 JECD C[C@H]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(O)nc(O)c2)N1C(=O)OC(C)(C)C 1847216417 KBVRENDCBPTJMZ-HJWJTTGWSA-N 460.531 2.096 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCCN1C(=O)c1ccccc1 729325762 AIFQBJCZMLTXAZ-QFIPXVFZSA-N 455.580 2.233 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CNS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 747703630 ZNTHFLWEOHEBEN-UHFFFAOYSA-N 496.633 2.455 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 750177913 NJSCSOONNZLLRZ-HXUWFJFHSA-N 467.522 2.288 10 20 JECD C[C@@H](OC(=O)c1csc(S(N)(=O)=O)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 760632107 PBMBPLFLKPLZLJ-LLVKDONJSA-N 484.511 2.355 10 20 JECD CC[C@H](C)NC(=O)CN1CCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])CC1 913047019 JHHASRBMXYULOA-NSHDSACASA-N 474.312 2.311 10 20 JECD O=C(COC(=O)CC[C@H]1CCCO1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 914972745 VTYLMYFHKSSNAK-JQFNYASXSA-N 492.575 2.235 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)CC2)cc1 915693938 HXUDIMUYLBTMGE-UHFFFAOYSA-N 471.001 2.384 10 20 JECD COCCCn1cnnc1SCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917159425 ZLGLJPQETWFUPU-HZPDHXFCSA-N 451.568 2.476 10 20 JECD COc1ccccc1N1C[C@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1=O 917831827 AWKJIASWFGTFKK-RTBURBONSA-N 450.539 2.066 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 918336146 WFBYELZILSUGFD-LJQANCHMSA-N 475.998 2.240 10 20 JECD COc1ccc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919729736 LBCMYHUFSVERHT-UHFFFAOYSA-N 457.531 2.429 10 20 JECD COc1cc(-c2nnc(COC(=O)c3cc(NS(C)(=O)=O)ccc3O)o2)cc(OC)c1OC 920638010 PWIQCRKVWWIAAL-UHFFFAOYSA-N 479.467 2.197 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cnccn1)C2)c1cc(O)c(O)c(Cl)c1 1781123115 UZZWRGGRVPDJCD-AUSIDOKSSA-N 474.945 2.302 10 20 JECD COc1cc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c(F)c1 1781708149 RCUWKIJCTNAIAU-VWLOTQADSA-N 498.486 2.210 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC1CCCC1)C2 1783245836 FKSQESBLCSFGMW-VGOFRKELSA-N 467.657 2.331 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)cc1 1783927489 AGECRZZTBVTAGR-FTJBHMTQSA-N 483.565 2.153 10 20 JECD O=C(Cc1cccnc1Cl)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1785167571 FCNZRSNVUZNXBF-UNPQWULPSA-N 487.940 2.087 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(F)c(F)c1)CCO2 1785510177 QMYZZKMWGMTSJO-YVRWJWEHSA-N 460.433 2.239 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)C[C@@H]21)c1cc(O)nc(O)c1 1787294635 ZWQVFADMSXYUJW-WBAXXEDZSA-N 479.455 2.348 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1csc2c1CCCC2 1788314470 IENYBOGSCOVBAY-OWQGQXMQSA-N 457.552 2.340 10 20 JECD O=C(NC1(c2ccc(NC(=O)c3cc(O)nc(O)n3)cc2)CCC1)C1=NN(c2ccccc2)C(=O)C1 1788575278 RUFCPCPHYHYYQP-UHFFFAOYSA-N 486.488 2.428 10 20 JECD O=C(Cc1c(F)cccc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1789631625 BZJBYMXAITUWHL-UZHYIMIUSA-N 488.487 2.317 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790246000 BJYDNXLNPXAUGT-SJJRHLGGSA-N 498.967 2.111 10 20 JECD CC(C)(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)s1 1796675593 RFXFSDXHSVPEDE-IVWMJMPLSA-N 481.665 2.109 10 20 JECD Cn1cncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796750257 SQFREYQFWLGVSU-PLACYPQZSA-N 496.612 2.390 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1c(F)cncc1F 1796934474 ISGCXCDXARRIGI-RBVVOMGSSA-N 453.449 2.405 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ccccn12)C1=NN(c2ccccc2)C(=O)C1 1797471984 KLGYNFHHRHWGOK-GGPHIMKMSA-N 456.506 2.379 10 20 JECD CCn1nc(C(C)C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1798736401 OORGLLDEFYDGRT-MRSFGVLCSA-N 492.580 2.023 10 20 JECD O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1802382491 MDTCSLWKTNSKFI-HXOBKFHXSA-N 477.477 2.358 10 20 JECD COc1ncc(Cl)cc1C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1804722691 GIVUXHAGOOUDSP-UHFFFAOYSA-N 497.042 2.449 10 20 JECD O=C(CN1CCOC1=O)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1 1805766801 YENICXSZQCQMRU-UHFFFAOYSA-N 451.907 2.048 10 20 JECD O=C(CN1CCCCC1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1806887114 NIKSNNVFUZXAER-QMNIYLKUSA-N 480.565 2.404 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc2n[nH]cc2c1 1808022798 XJOCLTMIGPXJEE-IIBYNOLFSA-N 494.602 2.138 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CNC(=O)c2ccco2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803814 MDULCBZQWIIGDI-VFNWGFHPSA-N 498.923 2.489 10 20 JECD O=C(Cc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1814177079 FABXBZWBVINZQG-WNSKOXEYSA-N 495.467 2.497 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)CCCc2ccncc2)[C@H]1c1cccnc1 1814184922 GYYZYYOBMSGLTI-CVDCTZTESA-N 497.646 2.366 10 20 JECD Cc1nc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)sc1C 1814190408 ZNUWZQYWRDYWOA-MAUKXSAKSA-N 489.648 2.335 10 20 JECD CC(C)NCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1815263122 FKBCJUMCFKXHCL-HNNXBMFYSA-N 468.583 2.236 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3ncncc3c1)CC2)c1cc(O)nc(O)c1 1816726442 WDZWTNXIIHXIAR-CQSZACIVSA-N 462.491 2.432 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3ccc(CO)o3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1820529709 RCSAJXNLISRYAB-ZDUSSCGKSA-N 479.518 2.247 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@H]1C[C@@]1(F)Cl 1822509497 NVAITSLBWNWFFI-NVTQBHAOSA-N 459.956 2.187 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccnc2)[nH]n1 1823496683 NGTOINKKCNOIDY-MOEXGYKKSA-N 470.580 2.371 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cnn3ccncc23)CC1 1828282904 FORDUKQATZBRMO-SFHVURJKSA-N 450.499 2.083 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@]2(F)Cl)CC1 1831961980 FLJUTHRSNXYZPM-NJSLBKSFSA-N 462.012 2.391 10 20 JECD O=C(Cc1cccnc1Cl)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1832723302 KAWSUNBFXSBXIO-JOCHJYFZSA-N 496.347 2.112 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)C(=O)c1ccccc1 1834384806 RQTRISGMCOEBFM-VQHVLOKHSA-N 493.560 2.271 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc4ncncc4c3)CC2)CC1 1838030022 ZDEXTDXUXXYIKK-UHFFFAOYSA-N 477.521 2.362 10 20 JECD CCO/C=C/C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838111762 OFCDTYNGDLWTAM-SFQUDFHCSA-N 468.554 2.328 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4csnn4)C3)C2)cc1 1839348905 SOJCFIAJXRYTQR-XMMPIXPASA-N 481.578 2.329 10 20 JECD C[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840302022 RGFPIORLWZYRKI-KIVJQPFTSA-N 496.560 2.152 10 20 JECD Cc1cc(F)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840779742 ZJZZWLCTKPAWMT-UWCCTICSSA-N 486.496 2.034 10 20 JECD Cc1noc(N)c1C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1842905639 LEGGODUHZAYZHY-GOSISDBHSA-N 498.584 2.100 10 20 JECD COc1ccc(OCC(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cc1 1843440698 BQQKRJJLPVPMJG-UHFFFAOYSA-N 462.506 2.070 10 20 JECD O=C(c1ccc(OCC2CC2)cc1F)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054990 YWPCSCUHAPTPCP-UHFFFAOYSA-N 477.583 2.292 10 20 JECD O=C(COC(=O)c1ccc(O)cc1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 25454287 SNWJHFYNPTUPQL-VCHYOVAHSA-N 486.527 2.295 10 20 JECD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 409615878 ATEFGURKHXLNPY-UHFFFAOYSA-N 452.941 2.248 10 20 JECD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 515996233 OQRFKPXSEIXRDZ-CQSZACIVSA-N 461.565 2.133 10 20 JECD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 745298115 GNXPOAGRKVMLFE-UHFFFAOYSA-N 498.555 2.286 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3CN3CCSCC3)cc2)C1 747311745 OLICEJFRMKRORY-OAQYLSRUSA-N 495.649 2.192 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2C)cc1 845929431 UPJKQLZOWFOGFJ-XZUXRINTSA-N 490.512 2.414 10 20 JECD Cc1ccc(NC(=O)C2CC2)cc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918465839 TYOKABSHPOITPM-LJQANCHMSA-N 477.565 2.300 10 20 JECD CC(C)CN1CCO[C@@H](CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919782465 KOKKTYHQFKFPAK-NRFANRHFSA-N 485.608 2.098 10 20 JECD CC(C)(C)c1nnc(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)s1 919799918 KYYRPBRGAOJCFC-UHFFFAOYSA-N 498.588 2.346 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(c4ccccc4OC)CC3)CC2)cc1 920250303 DSEDZJRZWCNJFV-QXMHVHEDSA-N 464.566 2.257 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2)cc1 920254004 FCMXJLOOAIPBJY-VAWYXSNFSA-N 476.577 2.321 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(N2CCOCC2)cc1 920926906 RPTXNJUAIYAXAA-GOSISDBHSA-N 486.594 2.124 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccn4nccc4c3)C2)C1 1778734201 HEMWLCQIDXMVGU-QFIPXVFZSA-N 456.886 2.156 10 20 JECD Cc1cc(/C=C/C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)no1 1779440557 FPIUROKXJYXQFO-FJOITDKSSA-N 483.521 2.340 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753935 UDHCWAWFVSNLIR-FQRUVTKNSA-N 466.582 2.404 10 20 JECD Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(-n2nccn2)c1 1782007414 REFKGJPPEGFHDL-DEOSSOPVSA-N 497.939 2.398 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@H]1C1CC1)C2 1783218429 OPEWPFMOZAXWST-MYRGRYLESA-N 456.539 2.377 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(F)cn1)C2 1783222204 KOSRDEVUAPXXRD-XYUUTWJASA-N 485.512 2.107 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)C3CC4(CCC4)C3)C2)C1 1784844423 ZIHVYJRDFGUBQS-RUZDIDTESA-N 450.539 2.190 10 20 JECD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(F)c1 1785509763 CQZRHOREDKTMAJ-MLENBVEFSA-N 472.469 2.108 10 20 JECD COc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)n1 1785811852 SMVUVCVVZFFRAY-YEWDVWPNSA-N 461.902 2.062 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)c(Cl)c1 1791962484 RFRILKWWTWOUSG-QRTARXTBSA-N 482.027 2.102 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@](F)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796602890 XQKAWNNFVLTARA-IVZYZONNSA-N 492.548 2.484 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc(F)cc([N+](=O)[O-])c1 1799631484 FIGWVKJAMDDVMJ-IVWMJMPLSA-N 479.848 2.316 10 20 JECD Cc1cc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)ccn1 1799767251 GXVFOFXEZLDCBM-UPHUGPLXSA-N 459.930 2.291 10 20 JECD CN(C)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804283987 UVXVDDALEWTPAH-BJKLQHCMSA-N 452.511 2.230 10 20 JECD CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1807072190 DNKGEELUFDIQBX-GOMRNUEMSA-N 476.581 2.254 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)N(C)C(=O)OC(C)(C)C 1807667402 BNTZLKNIFLVBGL-LDBYXDLTSA-N 499.568 2.463 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CS[C@@H]2CCCCO2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994256 FFUSQCGQNXEKGQ-USCONSEESA-N 472.567 2.467 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cccc(Cl)n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994334 ULBGWZHLZHBZLE-IVZQSRNASA-N 467.913 2.499 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996401 RMNAWUGBRMSCBW-GAJHUEQPSA-N 476.489 2.292 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1n[nH]c2c1CCCC2 1808042891 QECOTEKRQHAGEB-NYHFZMIOSA-N 462.510 2.123 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)C(=O)Nc1cccnc1 1810465002 HGBOLBGGSIWYTC-QRWLVFNGSA-N 495.923 2.500 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc(C(F)(F)F)cn1)CC2)c1cc(O)nc(O)c1 1816725854 QOHOTOJSCUTNCL-VIFPVBQESA-N 480.428 2.298 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(-c3ccncc3)[nH]n1)CC2)c1cc(O)nc(O)c1 1816726243 RZGYXDZMXWOQNT-ZDUSSCGKSA-N 477.506 2.274 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnco1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817363625 KIHNJUBNIUKOPG-GFCCVEGCSA-N 450.480 2.150 10 20 JECD Cc1nn2cc(CC(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)nc2s1 1817843418 MVYCGTOAUXKYFM-OAHLLOKOSA-N 482.526 2.177 10 20 JECD Cc1cn2c(=O)c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)cnc2s1 1818738680 ULYOYDDXOIHUJE-HNNXBMFYSA-N 495.521 2.213 10 20 JECD Cc1nccn1[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832315091 AYDLTBNZUPHAEN-CRAIPNDOSA-N 477.656 2.233 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902170 ZJVQCWCAWKKOBQ-SJLPKXTDSA-N 489.667 2.362 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cnnc4ccccc34)C2)C1 1839433820 CBNHFDHLXYENRL-XMMPIXPASA-N 498.923 2.078 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2nnc(-c3ccccc3)o2)C1 1844305997 YVLJOIVGAVDBSY-CSKARUKUSA-N 462.462 2.384 10 20 JECD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1845399237 DTFNUFVFTMLNID-XMMPIXPASA-N 488.592 2.382 10 20 JECD O=C([C@H]1C[C@@]12C(=O)Nc1ccccc12)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845502297 JILBIQPCTYLUCV-MYYSRTQBSA-N 467.909 2.478 10 20 JECD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccc(N4CCCC4)cc3)CC2)cc1 71949004 QQSIHCVYARFXCB-UHFFFAOYSA-N 456.612 2.218 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)c4c(F)cccc4F)CC3)cc2)C1 727940556 JOGIXGQLQGFSTC-SFHVURJKSA-N 485.535 2.334 10 20 JECD COCCn1c(N)c(C(=O)CN(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)c(O)nc1=O 728927943 ILUQABDJJPAMLN-VMPITWQZSA-N 492.532 2.351 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)N1CCS(=O)CC1 731008536 ZFKUZLKCMQAVDN-UKTHLTGXSA-N 459.412 2.241 10 20 JECD O=C(CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)NCCc1ccccc1 746788668 ZABPOXOCDPWVSF-UHFFFAOYSA-N 457.442 2.459 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 748706481 UZZPGVLLMKCNAI-UHFFFAOYSA-N 487.500 2.252 10 20 JECD C[C@@]1(NC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CCS(=O)(=O)C1 914406194 SKFMITLYIDWCKL-KMGMULKOSA-N 489.438 2.344 10 20 JECD CCCCc1noc([C@H](C)S(=O)(=O)CC(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 915363054 CTQSKJXJEFXDSO-INIZCTEOSA-N 450.561 2.245 10 20 JECD C[C@@H](OC(=O)CCCN1C(=O)CCC1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 915555988 FOVYXJXZAFGQFV-CQSZACIVSA-N 462.458 2.261 10 20 JECD Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917712706 QLGSZBVTDCIFLZ-ZIAGYGMSSA-N 455.538 2.325 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)cc2)C1 917834652 MJMQJUKJRUMZFE-DLBZAZTESA-N 483.500 2.105 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)c3nc(S(C)(=O)=O)n4ccccc34)cc2F)C[C@@H](C)O1 921165140 LLUZJYUFCRVHHY-HUUCEWRRSA-N 460.531 2.421 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCCN(C(=O)c4ccccc4)C3)cc2)C1 1318299130 YNBVXISIIDKYQR-VXKWHMMOSA-N 463.582 2.492 10 20 JECD COC(=O)c1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n(-c2ccccc2)n1 1318300180 WZIHTARHDSAXES-SFHVURJKSA-N 461.522 2.291 10 20 JECD Cc1nc(C)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)o1 1778127892 OUVHFJDJYFBZPQ-CJFMBICVSA-N 479.537 2.212 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1csc(C(F)(F)F)n1 1779859216 UMVDPXSVFOGWOX-BFUOFWGJSA-N 486.472 2.409 10 20 JECD COc1cccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1782000835 CAAVPNKGAQWLIG-QHCPKHFHSA-N 460.914 2.446 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1782007388 FCNJQULNKPUAMP-HSZRJFAPSA-N 484.896 2.157 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CSc4nc[nH]n4)C3)C2)cc1 1784392141 HXRNKXWSTSHRCA-XMMPIXPASA-N 480.594 2.448 10 20 JECD C[C@@H](Sc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787291636 AEIVQBHSVDGLRU-PDWMJMLSSA-N 457.552 2.267 10 20 JECD Cc1cc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)ccn1 1792218131 YDMPJPGVBPIARJ-DXPKTIRRSA-N 481.549 2.133 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS[C@H]3CCCCO3)C[C@@H]21 1792218204 LQHDTLMGHUWKAZ-WYWFWVCLSA-N 492.594 2.056 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccc2nccn2c1 1796934217 CYNPSWHLXNGVDM-FNLKRUPLSA-N 456.506 2.379 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc[nH]n1)C2 1798418322 OGJDRXBGPPITKU-ZMMAXQRCSA-N 499.568 2.209 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc3[C@@H]1O)C2)c1cc(O)c(O)c(Cl)c1 1799767135 SAUVOVXWZKRKIF-CVPGBNADSA-N 486.952 2.250 10 20 JECD COc1cc(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1OC 1800626305 XRKZRBCOYQVNSS-QDMKHBRRSA-N 477.608 2.124 10 20 JECD CCOC(=O)c1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccn1 1807995048 MSJVDVKCLCGZQN-VGOFRKELSA-N 491.504 2.093 10 20 JECD C[C@@H]1CCc2c(C(=O)NC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)[C@H]3c3cccnc3)n[nH]c21 1809258590 XFUFCKOHMDTQJI-CGSMKXTHSA-N 498.634 2.034 10 20 JECD Cc1cc(C)nc(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)c1 1810329082 DITMONIWOZKFPQ-UHFFFAOYSA-N 460.625 2.404 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811798243 ZZRCUPVRAQWOKX-BEFAXECRSA-N 474.945 2.381 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2c[nH]c3cnccc23)[C@@H]1c1cccnc1 1814189600 TVHFSBNCJKLGIR-YCRPNKLZSA-N 494.602 2.138 10 20 JECD COc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)nn1 1820040903 HHXGALGKSOLWOF-VGZDNEPHSA-N 480.481 2.344 10 20 JECD Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)no1 1826053830 NMIYRAATVYAFMN-MRXNPFEDSA-N 450.586 2.077 10 20 JECD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)N1C[C@H]2C[C@H]2C1 1828199564 YXOUODHZGACRRZ-FOCRTILESA-N 484.578 2.226 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccncc1Cl)CC2 1828244383 DXXYFXISEJAMBT-VIFPVBQESA-N 482.012 2.278 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(O)cc1F)CC2 1828247195 OOKQNSDHSWRXQK-SECBINFHSA-N 480.568 2.074 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cccn3cncc23)CC1 1828701961 MLEZPUNWSZWXDW-GOSISDBHSA-N 485.635 2.428 10 20 JECD O=C(c1cc(O)nc(O)n1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830736373 DBGXIOMQCHOPJR-INIZCTEOSA-N 476.917 2.500 10 20 JECD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1)n1cnnn1 1830740532 KQCPYKYJDTXZTO-SUMWQHHRSA-N 462.938 2.232 10 20 JECD Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)n1 1833743463 YVEBAEUSZVGLMM-UHFFFAOYSA-N 467.570 2.014 10 20 JECD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(C)o1 1834094812 KRLTYYKXMVZNQI-QFIPXVFZSA-N 464.902 2.345 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)CC1 1836680812 KXEXAWRBFMJUPY-MRXNPFEDSA-N 465.641 2.202 10 20 JECD COc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)ccc1O 1838030276 JIRFVYVQURTQGP-UHFFFAOYSA-N 471.510 2.133 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)C1 1844541815 QEVHFRNUCVVVOJ-UHFFFAOYSA-N 492.932 2.431 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3sccc3S(=O)(=O)C(F)F)cc2)C1 730964877 RUZDWDCXAXWGBZ-ZDUSSCGKSA-N 457.524 2.376 10 20 JECD Cc1csc([C@@](O)(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C(F)(F)F)n1 746836368 RRAUBJTVSLSDRS-SFHVURJKSA-N 477.530 2.143 10 20 JECD CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 747304985 NSLPSRDCQRGLGN-HXUWFJFHSA-N 489.617 2.086 10 20 JECD CNS(=O)(=O)c1cc(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)ccc1C 747880399 MCKMFICZDXTIKW-UHFFFAOYSA-N 492.509 2.474 10 20 JECD Cc1cc(CC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(Cl)cc1 915296330 GHVGXBUXQLWUFZ-GOSISDBHSA-N 451.976 2.100 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(C(=O)N4CCCCC4)c3)cc2)C1 918463002 GFXVKZBGZSLOII-NRFANRHFSA-N 491.592 2.269 10 20 JECD O=C(NCc1ccc(NC(=O)C2CC2)cc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1333628714 BPEWACDMTQWPIR-UHFFFAOYSA-N 456.568 2.269 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccncc1F)C2)C1=NN(c2ccccc2)C(=O)C1 1778128081 ZIOCDGXGPFHLOB-PXDATVDWSA-N 479.512 2.141 10 20 JECD Cn1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)cc2ccccc21 1778420785 HAPMAKJLPIYHPK-CJFMBICVSA-N 464.522 2.426 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1cccc2ccncc12 1781243676 QPOGSRMWERVPLN-NTKDMRAZSA-N 498.630 2.223 10 20 JECD CNC(=S)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753494 MMXVZJSNQJRDGB-VWLOTQADSA-N 483.638 2.022 10 20 JECD Nc1ccccc1/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003025 ZLOSQLBRNZCLJB-AWUSRGSFSA-N 457.914 2.490 10 20 JECD O=C(C[C@H]1CNc2ccccc2O1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007298 OWWBDYCJRPOFBP-UPCLLVRISA-N 487.940 2.458 10 20 JECD COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)ccc1[N+](=O)[O-] 1782008334 ZSQLKTCSTFQWST-JOCHJYFZSA-N 491.884 2.425 10 20 JECD Cc1cnc(Cl)c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785508341 BPJYGIBVOSNXSQ-OJZQOFKYSA-N 473.913 2.317 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccs3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537394 ROUJCOGYUAJRSG-IEZWGBDMSA-N 452.536 2.134 10 20 JECD N[C@@H](Cc1cscn1)C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788428075 YXAGEGJTWATYPN-KRWDZBQOSA-N 453.524 2.267 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4nc(N)n[nH]4)[C@H]3C2)cc1 1788506077 SUKKKIPNPYBSGN-BVSLBCMMSA-N 491.596 2.021 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ccccc4n3)C[C@@H]21 1792218855 DAWOMIDLFIDGED-OAXSLICUSA-N 490.516 2.053 10 20 JECD Cn1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1C(F)(F)F 1797074986 KQBHZIRHIGVQPH-RBVVOMGSSA-N 488.470 2.484 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NO1)C2)c1cc(O)c(O)c(Cl)c1 1799767085 PXOCGPYLFFHQIM-GQSCTRQFSA-N 485.924 2.148 10 20 JECD CCOC(=O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1804303815 OSKGFNJMWASUHU-VBUUOAMHSA-N 454.527 2.007 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2n[nH]c3ccccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996393 RDHOYAGZWVOZNV-IVZQSRNASA-N 458.478 2.398 10 20 JECD Cc1nc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)co1 1808467689 JKYPSWVLVLTANN-FDDCHVKYSA-N 472.505 2.491 10 20 JECD CC(=O)C[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808470639 XJZWGBYYNPFNHH-REIDKSKDSA-N 475.549 2.496 10 20 JECD O=C(/C=C/c1cnccn1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813485874 JRARUMPYYLUQDE-URPSYLMBSA-N 487.516 2.421 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccnnc2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818145938 NEQYVOJEMFFBOU-LJQANCHMSA-N 458.482 2.299 10 20 JECD O=C(CC12CCCN1CCC2)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1820814303 BSJYJSFKPCKKTD-INIZCTEOSA-N 490.655 2.281 10 20 JECD CC(C)(C)OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823496105 DNDBMCPCKCOFDH-ZDUSSCGKSA-N 453.590 2.077 10 20 JECD O=C1OCCN1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1824337282 UAZBIYMNBHIQGI-KRWDZBQOSA-N 465.934 2.437 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cncnc2)CC1 1825290792 KORXJNSGRMCDBN-CYXJOQHWSA-N 466.538 2.469 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716197 FBOYMOYDHRFVLI-PGRDOPGGSA-N 479.581 2.090 10 20 JECD Cc1noc(C)c1CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896793 PTFXEYWTGFLKNH-SFHVURJKSA-N 478.640 2.314 10 20 JECD CO[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccccc1 1837776104 ROUSRQZSPAWISK-QHCPKHFHSA-N 469.538 2.493 10 20 JECD CC[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)CC1 1840057772 YPGRBBXNUWXFFQ-IZVMNLJQSA-N 496.608 2.452 10 20 JECD Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1840881200 ICUHJSSYBXRXEK-OGPASDKVSA-N 486.496 2.034 10 20 JECD O=C(c1cc(-c2cc[nH]n2)n2ccccc12)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249387 FUVHBYFYVKLUQP-UHFFFAOYSA-N 458.478 2.266 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730528965 CLTISCWOQXRPBR-SFHVURJKSA-N 455.486 2.103 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)cc1F 731408023 AZUDRXXENDBDMB-UHFFFAOYSA-N 486.544 2.408 10 20 JECD CN1CCN(S(=O)(=O)c2cccc(NC(=O)NCc3ccc4c(c3)CCCN4C)c2)CC1 746765166 GUNNJTYMGHJROS-UHFFFAOYSA-N 457.600 2.327 10 20 JECD CCOCCCNC(=O)[C@@H](C)OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 822947944 HLWJHHOYKCACKF-CYBMUJFWSA-N 454.435 2.458 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3CCN(C(=O)COc4ccccc4)CC3)cc2)C1 917834365 XHIXROJZUQIIPA-JOCHJYFZSA-N 478.593 2.322 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(OC(F)F)c(F)c3)cc2)C1 918464733 BXSHYAFQIMUIOY-CQSZACIVSA-N 464.444 2.384 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)C[C@@H](NC(N)=O)c3ccccc3)cc2F)C[C@@H](C)O1 918927912 JZFSAVUZUAAPAB-CBGDNZLLSA-N 486.544 2.398 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CCn3c(=O)n(C)c4ccccc43)cc2F)C[C@@H](C)O1 918929810 AHEZQXSEPGLQRS-QZTJIDSGSA-N 498.555 2.342 10 20 JECD CN1CCN(C(=O)c2ccc(NC(=O)/C(=C/C3=S=CC=C3)n3nnnc3-c3ccccc3)cc2)CC1 920010392 RTNXRPWARJZWRI-NKFKGCMQSA-N 499.600 2.485 10 20 JECD Cc1nn2cccnc2c1C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 920537021 BGIOGFWHXZRNJF-GJZGRUSLSA-N 455.490 2.264 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c(C)n1 1777850525 GKQJAIMNOZNXOX-CJFMBICVSA-N 468.554 2.265 10 20 JECD Cc1cc(Br)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc1F 1782144436 JZZWZIXVIKNHOZ-NRFANRHFSA-N 494.317 2.460 10 20 JECD O=C(Cc1ccc2c(c1)CCO2)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1783422868 LGOSCVCBHHUYAD-XMMPIXPASA-N 472.925 2.372 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cc(Cl)ccn1)CCO2 1785507832 WJTIWFLJZGLZSR-YSNSILARSA-N 459.886 2.009 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1nc3ccccc3o1)CCO2 1785509811 GJCQBZHGUGPKNW-YFTVHVBSSA-N 465.462 2.102 10 20 JECD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C[C@@H]21 1788564108 HEZKCSYREZEGAK-NMTNEYKDSA-N 495.624 2.395 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1[C@H]3c4ccccc4S[C@H]31)C2 1802079561 KLCPMEBGYBORDO-GDLKXRDSSA-N 494.569 2.294 10 20 JECD CCn1nc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1C 1807994591 IWDYEXKTUKZXCU-KKSFZXQISA-N 450.499 2.046 10 20 JECD C[C@H](Cc1ccncc1)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1812339889 NTHVWGLVEARLCU-ZWDAVXSWSA-N 497.646 2.222 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cccnc2Cl)[C@@H]1c1cccnc1 1814184785 FXPNMXMHJRLBLK-KBXCAEBGSA-N 490.010 2.310 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cc(C(F)F)no2)[C@@H]1c1cccnc1 1814189042 JYMSYCDLDKSSLF-SJKOYZFVSA-N 495.533 2.187 10 20 JECD CCS(=O)(=O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1815174078 KWHMXTWYOSJVNJ-CQSZACIVSA-N 470.935 2.215 10 20 JECD Cc1nc[nH]c1CSCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816726347 UAPUIAGXIOZQSQ-LBPRGKRZSA-N 474.568 2.140 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)c21 1817846085 IACOYPFBOBNFHU-INIZCTEOSA-N 477.481 2.428 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146600 SEFPDAHGAWQCCY-LJQANCHMSA-N 460.498 2.161 10 20 JECD O=C(CSc1nc[nH]n1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823713113 BNMQFDBMHBONAK-SECBINFHSA-N 480.959 2.344 10 20 JECD CCOc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)nn1 1827427546 CWJFUBMHDGSZRF-SFHVURJKSA-N 455.515 2.229 10 20 JECD O=C(c1cnn2c1OCCC2)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429732 QPIDENCBWIHXOJ-GOSISDBHSA-N 455.515 2.019 10 20 JECD CC(=O)O[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)C(C)C 1828198406 BSVNVFJTMOXBQV-LWWHXUDUSA-N 489.550 2.473 10 20 JECD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1)n1cnnn1 1832294402 OYVOXLYUANNRIP-CXAGYDPISA-N 462.938 2.232 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)CC1)c1cc(O)nc(O)c1 1834987985 FCKNTLAVHYUVSN-UHFFFAOYSA-N 456.518 2.060 10 20 JECD Cc1ccc(OC(C)(C)C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)nc1 1836341607 RTABLFKNDXBUHJ-UHFFFAOYSA-N 497.596 2.239 10 20 JECD CC[C@@H](NC)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837915042 CCMJFAPZUOHOOA-GOSISDBHSA-N 453.967 2.361 10 20 JECD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)N1C[C@H]2C[C@@H]2C1 1838369986 IHXHFQQXPKRROV-UYZBQNHYSA-N 499.608 2.155 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN(C)C)C3)C2)cc1 1839348649 ZZUCVOKWHSPGIC-AREMUKBSSA-N 468.598 2.116 10 20 JECD COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1839348861 QLSYWQFAOOLOAM-SANMLTNESA-N 483.565 2.117 10 20 JECD COc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)cc1OCC1CC1 1847054283 DOJOTFVCXGFPBE-UHFFFAOYSA-N 489.619 2.161 10 20 JECD O=C(Cc1cccc(C(F)(F)F)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055075 AMHBIFXBIZHKPE-UHFFFAOYSA-N 471.526 2.312 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 10907896 HJELXUYCIUFGHJ-UHFFFAOYSA-N 499.637 2.251 10 20 JECD CN(C)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 15405967 IWKFIHODUKVQDR-UHFFFAOYSA-N 495.443 2.138 10 20 JECD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N(Cc1ccco1)Cc1ccccc1O 726094736 GTUAFFZIOVPTQS-UHFFFAOYSA-N 499.593 2.244 10 20 JECD COc1ccc2cc(NC(=O)C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)ccc2n1 727615045 HCDQTSRNOCBVRG-SFHVURJKSA-N 461.522 2.200 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCc3nc(-c4ncccn4)no3)cc2F)C[C@H](C)O1 727902174 FBNYVXQDFLZHJI-HOTGVXAUSA-N 498.515 2.072 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccccc3N3CCCC3)CC2)cc1 743432843 UELOKQJJSFDBSE-UHFFFAOYSA-N 451.571 2.172 10 20 JECD CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)ccc21 747017479 LKSBVAKHAIWJHW-UHFFFAOYSA-N 456.568 2.108 10 20 JECD COc1ccc(I)c(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 747992035 SXHJQXKQUAUJIR-UHFFFAOYSA-N 495.317 2.391 10 20 JECD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)n2)cc1 817989936 YDOABQJNWUUNRO-UHFFFAOYSA-N 494.620 2.327 10 20 JECD Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 916624731 NXCQOTXRGLTPJB-UHFFFAOYSA-N 479.628 2.061 10 20 JECD O=C(CSc1nc(=O)cc(O)n1C1CCCC1)NCc1ccc(N2CCOCC2)c(F)c1 917213200 ZBRKVOMKYSLRDV-UHFFFAOYSA-N 462.547 2.448 10 20 JECD O=C(O)/C=C\c1ccc(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c([N+](=O)[O-])c1 920960424 MMYSCSOENCUDLB-ALCCZGGFSA-N 475.508 2.208 10 20 JECD CN1C(=O)C(=CNc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)C(=O)N(C)C1=O 920976694 PAMRLQWLFHEMOF-UHFFFAOYSA-N 489.598 2.198 10 20 JECD CSc1ncccc1C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1779838110 HPZKSTWBPWJZTM-XMMPIXPASA-N 479.562 2.040 10 20 JECD CN(C)c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cn1 1779863935 MOCSNJBCHLFCAT-DWRUAZSGSA-N 496.564 2.105 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)c(Br)cc3F)C2)C1 1781641363 YQGRVOKLQGKTFF-HXUWFJFHSA-N 498.280 2.291 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c3ncccc13)CCO2 1782005612 RDMLOPWGPCURLD-JOCHJYFZSA-N 456.886 2.385 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCO2 1782006992 FGJOVVWVSCYTNM-HSZRJFAPSA-N 483.912 2.294 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)n4ccnn4)C3)C2)cc1 1782763088 FVGLDZIKFVJOME-CJFMBICVSA-N 462.554 2.390 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c1CCCC3)C2 1783222439 UVEGKPUSFXDDMS-WNEWMZQESA-N 496.564 2.246 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc(-c2ccccc2)on1 1783420380 RTJMLWXDGNALHL-KNBMTAEXSA-N 464.478 2.055 10 20 JECD O=C(/C=C/c1ccc(Br)cc1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783591609 TVELKFUNGOBLLM-XRRIUQSZSA-N 488.338 2.412 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(F)(F)C1)CCO2 1785506046 RNPQPQVCAPANQS-VFLHYZAYSA-N 452.454 2.082 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3ccncc3O)cc2)CCC1 1789705457 SJCOMQBDRVZVGA-UHFFFAOYSA-N 456.549 2.395 10 20 JECD O=C(CN1C(=O)C=CC1=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1791694947 ZWTURDTXYOOSII-UHFFFAOYSA-N 469.881 2.424 10 20 JECD COc1ncc(Cl)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1792400160 KLYSCIWGEYAQSY-DPIQGUFMSA-N 482.320 2.325 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccccc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796481066 MWKSEGIRLIQROX-NXKWYNOOSA-N 460.534 2.002 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cccc2c1OCC2 1796796244 HHPFIMBDHHMPBG-CCWDJLKJSA-N 458.898 2.203 10 20 JECD CC(C)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1)c1ccccn1 1799770132 JBIVVWXLUAJEPG-CCWDJLKJSA-N 459.930 2.327 10 20 JECD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)ccc1F 1802079671 QMVAAJMYLFWCJS-CYPVSNLBSA-N 456.470 2.168 10 20 JECD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1803263113 ULTKZGQAHIBEMD-VGRBDKTESA-N 479.449 2.422 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)C1CCOCC1 1806697052 BPKUQTGBFKFTAS-YKSBVNFPSA-N 475.549 2.307 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CSc2ccncc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994178 SQMNJHIEHPKRQF-KSFYIVLOSA-N 465.535 2.395 10 20 JECD O=C1CCc2ccc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)cc2N1 1808001262 SIVFZZIKSOGIKH-HOYKHHGWSA-N 487.516 2.406 10 20 JECD O=C1CC(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CC[C@H](O)CC3)[C@@H]2c2cccnc2)=NN1c1ccccc1 1813186776 QYCOWTNLELVUPD-ACYIZFCASA-N 489.576 2.431 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)n1cncn1 1813401563 DUVNTRCZZLPHHS-MUKKUYKPSA-N 470.917 2.319 10 20 JECD CCCC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1820111134 DABQXFOUCWCGPL-HUUCEWRRSA-N 496.593 2.153 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccnc2)[nH]n1 1823496680 NGTOINKKCNOIDY-FYCOFBDGSA-N 470.580 2.371 10 20 JECD CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)N(CC)CC 1823497644 XPKHZTXWPHPPHA-CVEARBPZSA-N 480.660 2.383 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(F)cc2F)CC1 1824748194 VTGDIZGVWBUMEN-INIZCTEOSA-N 482.578 2.453 10 20 JECD CC(=O)Nc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1827721328 KYVYYSPOFPBESW-ZDUSSCGKSA-N 467.507 2.447 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)n1ccnc1 1828195511 OZKWLNFDXQFRTO-SXIUOJOQSA-N 469.523 2.343 10 20 JECD Cc1ccc(F)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1830079377 OPCTYWLCHCHUQV-CIFMFNLYSA-N 486.496 2.034 10 20 JECD O=C(CCN1CCCCC1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898208 GGLGDCBTXGWCKR-LJQANCHMSA-N 480.700 2.342 10 20 JECD CCc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)nn1C 1832899990 AIZTWBQOYGGBRO-GOSISDBHSA-N 477.656 2.076 10 20 JECD CCN(CC)C[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900472 ULQDGCGOSUKRPO-MJGOQNOKSA-N 482.716 2.444 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)cc1 1833276158 IRPWYJVPGOPXDG-MHZLTWQESA-N 490.560 2.111 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1ccco1 1834104544 UEDHHHDWZKLOJA-UHFFFAOYSA-N 463.538 2.258 10 20 JECD O=C(Cc1cccc(F)c1)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1837714987 UGNXAVFQPIRWSO-UHFFFAOYSA-N 493.626 2.227 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(F)ccc3F)C2)C1 1839433692 PYYVHNLKVHXLRD-JOCHJYFZSA-N 482.867 2.413 10 20 JECD CCCS(=O)(=O)NC1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 108465278 VQQNXMHEOFMNSG-IAGOWNOFSA-N 470.611 2.443 10 20 JECD C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4cc(NS(C)(=O)=O)ccc4O)CC3)cc2NC1=O 727487129 BVRAFPYQWBYPAT-CYBMUJFWSA-N 487.534 2.218 10 20 JECD NC(=O)[C@@H]1CCCN(CCCNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 729363639 QKUJJPYUWZVVIS-WIZMWCRPSA-N 480.681 2.433 10 20 JECD NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2)C1 731117445 NNFNCQZTUGSDCS-QFIPXVFZSA-N 497.615 2.484 10 20 JECD Cc1c(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cccc1C(=O)N1CCCC1 749031140 NODIHMIGOTUGEF-HXUWFJFHSA-N 491.592 2.188 10 20 JECD CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 749687834 PIXOEWRPYSJKLO-OAQYLSRUSA-N 487.645 2.160 10 20 JECD CCNC(=O)COc1ccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OC 916389110 PSDCMZROAYBZLD-UHFFFAOYSA-N 470.570 2.388 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 917708641 LTFJLUIKHWGSAT-OAHLLOKOSA-N 460.437 2.379 10 20 JECD CN1CCN([C@@H](CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2cccs2)CC1 918117385 DDUSCAVJDSJHRD-UNMCSNQZSA-N 484.670 2.238 10 20 JECD C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)C[C@@H](C)O1 920194892 KZQHJBQZAIPGHP-KDURUIRLSA-N 480.565 2.028 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)n(C)n2)CCO3)cc1 1781751866 YUFPIRGVWKBGNH-RUZDIDTESA-N 463.538 2.291 10 20 JECD O=C(CCc1ccc(F)nc1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004513 YJFBZVMCIIZHCX-QFIPXVFZSA-N 463.893 2.362 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008666 FXGDMRLBWNHRMT-CMJOXMDJSA-N 459.930 2.469 10 20 JECD COc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)cn1 1785096837 CRQMPFBKVBOXDM-KNBMTAEXSA-N 489.956 2.381 10 20 JECD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)s1 1785508322 BLTNMXAGQIMDPO-XRRIUQSZSA-N 460.508 2.030 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccncc1Cl 1788857569 RYGCVERWHSSNQB-XERREHJYSA-N 481.940 2.121 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cccnc1Cl 1792361085 JBGWLNJXFXAOPO-DRXBFXEBSA-N 452.294 2.317 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)CC1 1793846159 OTKXLKKFHBRJCP-ZHHJQZSXSA-N 472.538 2.434 10 20 JECD COc1cccc(OC)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1798827788 IJSAETRYILNKIX-VTEUUUEMSA-N 476.913 2.285 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799767925 BHITVGKKFRWDLY-NYYTWLDWSA-N 459.930 2.228 10 20 JECD CSc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799768846 BABNTKZCHDBGAC-FVCICTRLSA-N 463.943 2.385 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3nscc13)C2 1802079451 JSXKJVRSSCOXNL-XENLCIIUSA-N 481.530 2.330 10 20 JECD CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1803596457 SAEIVLAHRSSJNF-HNAYVOBHSA-N 474.945 2.381 10 20 JECD O=C(CNC(=O)c1ccco1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1807593398 JPZZYVHPNUFQTF-QVKFZJNVSA-N 498.923 2.489 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2c[nH]nc2c1 1808050192 GQJYDMNGZMQCCG-VGOFRKELSA-N 458.478 2.398 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)Cn2cc(Cl)cn2)[C@H]1c1cccnc1 1814162578 MFTORLXMSGBPSN-GEROHTISSA-N 497.939 2.468 10 20 JECD O=C(CCN1CCCC1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814270400 WDGGLBCGSNERTR-MMXNXPDASA-N 480.565 2.404 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)C1CCC(CO)CC1 1815689791 DXBPKYPEYPYYMS-ZBCRRDGASA-N 479.628 2.061 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@@H]1ON=C(c2ccccc2)O1 1819298457 OTNIFRATUYORSS-MWTRTKDXSA-N 478.465 2.257 10 20 JECD CN1N=C(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)CCC1=O 1823708393 XCMRZQGRJIIOER-JTQLQIEISA-N 477.930 2.042 10 20 JECD Cc1nnc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)o1 1823708794 OWGPYRZILCJIFA-SNVBAGLBSA-N 463.903 2.368 10 20 JECD Cc1nn2cc(CC(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)nc2s1 1824811208 FNAZFADSTMTVRZ-SFHVURJKSA-N 484.582 2.381 10 20 JECD Cc1noc(C)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1825862757 RYQNZGGZGNHTOX-INIZCTEOSA-N 464.613 2.385 10 20 JECD O=C(c1ccc2nn[nH]c2c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827430020 YSVMOXOIRGOGTG-IBGZPJMESA-N 450.499 2.311 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714702 HKKWFVCEOHIBOT-PGRDOPGGSA-N 481.597 2.314 10 20 JECD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)COC1 1827715104 LCLFCIWOMJATGW-NRFANRHFSA-N 452.555 2.436 10 20 JECD O=C(CCC1CCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1831076079 HAGOTKFYOZZCSR-QFIPXVFZSA-N 452.935 2.402 10 20 JECD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1)n1cnnn1 1832294407 OYVOXLYUANNRIP-GUYCJALGSA-N 462.938 2.232 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1cnn2ncccc12 1835040268 ZHBCYGOITRQSTP-UHFFFAOYSA-N 498.971 2.293 10 20 JECD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1839912882 LUAGLWVAYIFMDA-FGCFSOHPSA-N 494.592 2.062 10 20 JECD Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1839939827 QFSCAHDBGASGAH-HSDHKRTLSA-N 496.560 2.214 10 20 JECD CO/C=C(\C)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331286 FTRSVGMCGXARLY-BBKFTCMMSA-N 472.586 2.458 10 20 JECD COc1ccc(CC(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c([N+](=O)[O-])c1 1843442721 ZANOHIWZOLWLIZ-UHFFFAOYSA-N 491.504 2.142 10 20 JECD O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCOCC2)cc1 108805189 XIEPSAXCHCDSAX-UHFFFAOYSA-N 470.595 2.439 10 20 JECD Cc1cc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1-n1cnnn1 726726851 RBOWWRHWGQQLCH-UHFFFAOYSA-N 471.468 2.296 10 20 JECD C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 728719383 ODEYODDVDVOEJO-HNNXBMFYSA-N 477.920 2.294 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 729065261 ZUXIRDSFEYGVLG-JYJNAYRXSA-N 491.566 2.015 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCc1ccccc1OCCN1CCOCC1 744292067 OGDKXIAMMXXVIZ-UHFFFAOYSA-N 486.588 2.497 10 20 JECD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)C3CCN(S(N)(=O)=O)CC3)c2C)c1 914897291 AFMUPKUVWHYXMD-UHFFFAOYSA-N 465.597 2.457 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3cc(C(=O)O)cc4c3CCC4)cc2)C1 917929584 HWMXTMGDJDXJJD-QGZVFWFLSA-N 457.552 2.054 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)cc2)C1 918373288 VJHLHQMFHBZVJR-FQEVSTJZSA-N 470.595 2.007 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccccc1S(=O)(=O)C(F)F 918443349 WCDGOWQAVJWIHC-UHFFFAOYSA-N 481.521 2.147 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(Br)c3)cc2)C1 918464127 RAMUTWHDVTUGAF-HNNXBMFYSA-N 459.344 2.406 10 20 JECD CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 918845694 HWORWJVYZWBIJE-QHCPKHFHSA-N 496.539 2.050 10 20 JECD CC(C)C(=O)N1CCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 935064685 IVXFEIALTLDVDS-UHFFFAOYSA-N 476.511 2.042 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1c(F)cncc1F 1779845892 QLNWKYIHGBZGDQ-RVGDXEIMSA-N 489.475 2.318 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3ccc(F)cc3F)C2)C1 1780823283 CXWWLJJYDBCUCR-DEOSSOPVSA-N 468.460 2.201 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1782008443 AQDSIOPHMMAXNC-FDDCHVKYSA-N 457.914 2.232 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)[C@H]1CCC(F)(F)C1 1783460174 FIOIOPKWMJDGMU-GIXYZKKCSA-N 466.481 2.232 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1784469185 CPPZRYOIAGQBHB-RLFMCPGXSA-N 465.506 2.145 10 20 JECD CC(C)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1785544806 BFDUETULVXUVRJ-JOCHJYFZSA-N 461.609 2.114 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1nc2ccccc2o1 1790349485 PBIADOKNEVINAW-CTQSHSCDSA-N 479.489 2.251 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 1794031611 PAWHQQRNELBHSI-MQZCIPPSSA-N 483.565 2.246 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)OCCO3)C2)c1cc(O)c(O)c(Cl)c1 1799768508 UOHAUSAQQYKGGM-YVWYUNDQSA-N 474.897 2.039 10 20 JECD CS(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)c1 1803982590 BIGCCKPYUXAVNT-BTTYYORXSA-N 479.942 2.115 10 20 JECD Cc1nn(C)c(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)c1F 1805150225 MWWBNCLOCMZEJR-SAWCTTBHSA-N 495.511 2.412 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cnc3ccccn23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993216 GOCHBDULFRNZCY-OSPHWJPCSA-N 472.505 2.098 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc3nccn23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998261 CCJYIVZTMPUNQA-KSFYIVLOSA-N 458.478 2.169 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3cc(-n4ccnc4)ccn3)CC2)C1 1810547231 USNQPLZXQYCORN-UHFFFAOYSA-N 462.510 2.232 10 20 JECD O=C(COc1ccccc1F)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816729001 PCTLQVBPIWFHLZ-GFCCVEGCSA-N 458.471 2.393 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cnnc4ccccc34)sc2C1 1818188985 DTRGHKQWEVWXLT-NSHDSACASA-N 498.615 2.172 10 20 JECD Cn1cc(F)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1818388808 QVPVEOVVBKBABJ-CYBMUJFWSA-N 464.548 2.054 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2Cc3ccccc3N2)[nH]n1 1823499632 QDWMDZCCNHQFKO-IRXDYDNUSA-N 484.607 2.299 10 20 JECD COc1ccc(COCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)cc1 1826290910 IOOYDRUXRHYJMA-OAHLLOKOSA-N 484.534 2.401 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828244701 OIPYJRBMYAIGQT-UTUOFQBUSA-N 452.627 2.352 10 20 JECD O=C(c1cc(O)ncn1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876993 QWRNOXOLNRJQNG-SUQGKYDKSA-N 468.510 2.246 10 20 JECD CCc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)n(C)n1 1832900786 KUWJAOVZSHVVIE-KRWDZBQOSA-N 477.656 2.076 10 20 JECD COc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1C 1833627377 SNHUPTTXKDKQPK-UHFFFAOYSA-N 482.581 2.238 10 20 JECD CC(C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835134679 UFQIWLDXIZDERM-UHFFFAOYSA-N 483.613 2.166 10 20 JECD O=C(COC1CCCCC1)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1836628109 CQEIWDRREWCENY-UHFFFAOYSA-N 497.683 2.195 10 20 JECD Cc1ncncc1C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838481152 JXMVGLIFKNSMDO-HWKANZROSA-N 482.537 2.227 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCO4)C3)C2)cc1 1839348123 CFYIYEIVAONGSY-BVAGGSTKSA-N 467.566 2.343 10 20 JECD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)ccc1F 1839435186 FCBNKNNQNYZJKI-HSZRJFAPSA-N 494.903 2.283 10 20 JECD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)cccc1C(F)(F)F 1840762053 YXRPZIZVXCQJGW-JOCHJYFZSA-N 495.454 2.204 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)c1cnoc1)C2 1844251565 HJHOCDOYUXANNP-QGZVFWFLSA-N 486.525 2.039 10 20 JECD Cc1n[nH]cc1C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1844774238 GNUYTVKPXYPCOP-HXUWFJFHSA-N 482.585 2.253 10 20 JECD Cc1ccn2c(C(=O)N3CCCC34CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)cnc2c1 1845695694 WFAJUCVZAIZULZ-UHFFFAOYSA-N 456.506 2.253 10 20 JECD O=C(c1c[nH]c2c(Cl)cccc12)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055903 UAQHWPGDYSKCSL-UHFFFAOYSA-N 462.984 2.499 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCCN3C(=O)OCC(F)(F)F)CC2)cc1 727800952 SXMTVRQWZUOYCW-LJQANCHMSA-N 472.508 2.487 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C[C@H](C)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 729346962 JDFNJFISXDSXHP-SFHVURJKSA-N 463.575 2.325 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)cc1 745297667 CQDDMLSWHBZPSH-UHFFFAOYSA-N 468.554 2.269 10 20 JECD COc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 831369874 RXFIIDPFFXDVRS-UHFFFAOYSA-N 472.453 2.382 10 20 JECD COc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c(C(=O)N2CCCC2)cc1OC 915732112 REPGXLPLACIHCN-UHFFFAOYSA-N 454.527 2.261 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)Cn3nnc(COc4ccccc4)n3)cc2F)C[C@@H](C)O1 917709911 HGEDTTKADVYFFO-CALCHBBNSA-N 454.506 2.321 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NC[C@H]1COCCO1 917814348 RQCVKPMYORWEEI-PZMUVPOTSA-N 457.371 2.182 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC3CCN(Cc4ccccn4)CC3)cc2)C1 918011065 OCWWOADIHZNJQT-HXUWFJFHSA-N 450.587 2.247 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCCN3CCN(c4ccccc4)CC3)cc2)C1 918117354 KLSFCNWKBUTQIX-QHCPKHFHSA-N 478.641 2.400 10 20 JECD CNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1C 918278461 UYQIFLOKISIXPM-UHFFFAOYSA-N 478.471 2.465 10 20 JECD COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918439074 QVGZFYIQVSGGBR-UHFFFAOYSA-N 458.534 2.112 10 20 JECD COC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)c1 918443558 WRXFPSBYPALMAH-UHFFFAOYSA-N 469.538 2.010 10 20 JECD C[C@@H](OC(=O)Cc1nc2ncccn2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 919147771 BZEGBTMQVULPHU-CYBMUJFWSA-N 455.430 2.013 10 20 JECD O=C(CNC(=O)C1CCCCC1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919761469 CSBOFMVAMHQSFT-UHFFFAOYSA-N 454.550 2.255 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3ccccc3Cn3cccn3)CC2)cc1 920253221 UYONOZNUSOYVNT-QXMHVHEDSA-N 459.550 2.461 10 20 JECD CC(C)CN1C(=O)/C(=C\Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C(=O)NC1=S 920974441 LPVOAZKPDGFKHI-ATVHPVEESA-N 450.586 2.056 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(F)nc1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127335 HEGQVMVEDXADQD-CJFMBICVSA-N 479.512 2.141 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)cc1 1781753173 GAONNJFSACRRSW-XMMPIXPASA-N 478.509 2.483 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C(=O)NCC(C)C)CCO3)C2)cc1 1781753795 RBPPCWUZNVQHNM-SANMLTNESA-N 466.582 2.310 10 20 JECD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003525 LAKXMHOXXNYSCD-QFIPXVFZSA-N 493.875 2.485 10 20 JECD O=C(COc1ccccc1F)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1783360028 BEGZHMKQZDZRNI-QFIPXVFZSA-N 464.877 2.413 10 20 JECD O=C(COC1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1783858996 OXWXOEJNAFBGJQ-HARLFGEKSA-N 482.581 2.108 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cc(C(F)(F)F)c[nH]1)CCO2 1785505983 WUQJAHUVANFWGU-XAFBZQIESA-N 481.427 2.307 10 20 JECD Cc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)s1 1785828352 NTVQRFJQXWGMRD-RBOXIYTFSA-N 451.932 2.423 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)C[C@@H]21)c1cc(O)nc(O)c1 1787295486 YKSMMEWLBJYPPI-RISOHXOYSA-N 497.939 2.443 10 20 JECD Cc1cscc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1787617970 QBJSYNKRTZIONK-MDKPJZGXSA-N 466.563 2.443 10 20 JECD C[C@H](C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1)n1cccn1 1791883912 PNYLHBKQLGTAGF-CQSZACIVSA-N 457.581 2.439 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(O)cc1)C1=NN(c2ccccc2)C(=O)C1 1792873244 AAGNUJVOOSSIKX-GGPHIMKMSA-N 462.506 2.202 10 20 JECD CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796140319 JODLVILYHXLQEP-VPTLXERWSA-N 498.536 2.357 10 20 JECD C[C@H](Nc1nccs1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1796861117 NFSNMIJPWFPZFG-ONIAQPFYSA-N 466.567 2.375 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cccc(Cl)c1 1798875985 WMTCNRHLIWNCPU-FAQVEIGNSA-N 466.925 2.336 10 20 JECD CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)cn1 1800714834 KETSECBGNDFQOW-BJWYYQGGSA-N 493.969 2.256 10 20 JECD Cn1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)ccc1C(F)(F)F 1804333156 BXCNABUXFVQQBX-ZSBIGDGJSA-N 474.530 2.156 10 20 JECD Cc1nc(C)c(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1805546411 JEHCHGNNHNEZDE-CRAIPNDOSA-N 489.648 2.335 10 20 JECD C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1 1806047724 PZWDMYVGWKJKGR-AWEZNQCLSA-N 472.991 2.277 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(Cl)cc3nn[nH]c23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995033 MKJLQIXFMSYUCY-LRTDBIEQSA-N 493.911 2.446 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc(O)c(F)c1 1810972439 ZRDNOLKYPIYFQD-YCRPNKLZSA-N 452.442 2.366 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1812848799 CSPMAXDDGHRMPS-JVRBBFSMSA-N 499.527 2.117 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@@H]1c1cccnc1 1814165513 GSTNCUXZUAQWOT-FZZBVOPRSA-N 475.505 2.354 10 20 JECD Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)nn1C 1817363595 JSEXRMXEUKCMAF-HNNXBMFYSA-N 491.577 2.133 10 20 JECD Cc1cc(C)n2ncc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)c2n1 1817845194 FTHRRZHINGDENL-KRWDZBQOSA-N 476.497 2.495 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145736 IAZDYVPHJHDUMX-KXBFYZLASA-N 479.541 2.109 10 20 JECD CCOC(=O)c1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)ccn1 1820300123 LOGVRGHQBKSLFH-KRWDZBQOSA-N 480.481 2.407 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)cn2)[nH]n1 1823497227 BDGNVFXHEGQEPW-OAHLLOKOSA-N 476.559 2.039 10 20 JECD Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)nc1 1826076559 FYAXHHDPXQDVDO-SFHVURJKSA-N 460.625 2.484 10 20 JECD CNC(=S)NCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739695 QZWOSOXOWKXBGI-QGZVFWFLSA-N 483.034 2.469 10 20 JECD O=C(Cc1cscn1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898723 XIMOZKRXKBDBAS-INIZCTEOSA-N 466.654 2.166 10 20 JECD O=C(c1cc(F)c[nH]1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899904 NDBSTJNOBLDKJG-INIZCTEOSA-N 452.577 2.247 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cc(-c2ccco2)no1 1834981750 XVOQXLREHOZPFE-UHFFFAOYSA-N 481.509 2.240 10 20 JECD Cc1ncc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)cn1 1837364949 KEPZYETVEWNCTK-HWKANZROSA-N 482.537 2.227 10 20 JECD C=C(Oc1ccccc1O)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031620 WVMWPINNDZLZJA-UHFFFAOYSA-N 483.521 2.403 10 20 JECD C[C@H](C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)N(C)C(=O)OC(C)(C)C 1845063194 DSKAPBAHNLICGR-QGZVFWFLSA-N 483.569 2.238 10 20 JECD O=C(c1ccccc1-n1nccn1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845502180 XGEKGOAGWKPERG-UHFFFAOYSA-N 453.886 2.463 10 20 JECD CC(C)(C)OC(=O)N1CC2(CC(CC(=O)N3CCCC34CN(C(=O)c3cc(O)nc(O)c3)C4)C2)C1 1846134919 QYRCDBQAFJUVRF-UHFFFAOYSA-N 486.569 2.347 10 20 JECD O=C(Cc1cc(F)ccc1Cl)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056304 BGUQSSUTEOEUOA-UHFFFAOYSA-N 455.964 2.085 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(C)cc3OCC(=O)N(C)C)CC2)cc1 726727527 IDQPMABIHJRXOA-UHFFFAOYSA-N 468.554 2.194 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)CC2)cc1 914586455 FTRUBLKCGQUBPS-OAQYLSRUSA-N 477.561 2.429 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1I 916676679 OPQQDJPADPSARB-UHFFFAOYSA-N 470.332 2.456 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CSCc3cc(=O)n4ccsc4n3)cc2)C1 917835045 YBWGHTRQDZDZNT-MRXNPFEDSA-N 471.608 2.007 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CN(C)C(=O)c3cccs3)cc2F)C[C@@H](C)O1 919088782 SZFKCXLYSKQHBX-IYBDPMFKSA-N 477.558 2.432 10 20 JECD CN(C)C(=O)C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 920048497 IRSXZEVSTPCLLH-IRLDBZIGSA-N 451.571 2.407 10 20 JECD COCCNC(=O)[C@H](C)OC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1343803863 RCOXAVHXKXETMZ-LUHPIMIVSA-N 487.397 2.345 10 20 JECD Cc1cnn([C@@H](C)C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1 1778127647 UPRLCZOSTOCLJR-IATMXGELSA-N 492.580 2.059 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753018 ZCIDSWWIQUTQQW-JYFHCDHNSA-N 466.582 2.452 10 20 JECD O=C1Cc2cccc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)c2N1 1782410121 JLTVTHSFAQBNPN-HSZRJFAPSA-N 471.897 2.003 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783223211 ZQPSYJHAVDSCMZ-VPYCTPPASA-N 487.597 2.203 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(Cl)ccc3F)C[C@@H]21 1792218038 WAGCXYQPEFJHCY-OQEHJRJISA-N 491.903 2.298 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1csc2c1CCCO2 1796093652 AXHUVRIGSFTYET-KSFLNHNRSA-N 486.546 2.107 10 20 JECD CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1803611567 DIXYUNXVCQCSKO-DKMQYJSJSA-N 477.565 2.287 10 20 JECD O=C(COc1cccnc1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1804338174 UAAKDBIQDCTMCE-IBVKSMDESA-N 498.543 2.354 10 20 JECD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cn1 1805251584 DJFIQIMEGGNDJN-IAADTXTGSA-N 475.505 2.330 10 20 JECD Cc1nc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cs1 1805969009 IESCMWSCARNPRS-KSSFIOAISA-N 475.621 2.026 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)Cc3cccc(Cl)n3)C2)CC1 1807245648 FFBWJNSQHCMQLA-UHFFFAOYSA-N 481.043 2.369 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2c[nH]c3nccc-3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993433 KQJONSDVZGIOHI-KKSFZXQISA-N 458.478 2.349 10 20 JECD COc1ccsc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1811161782 HRXAZCUGHSOLOS-KSSFIOAISA-N 490.632 2.332 10 20 JECD CCO/C=C/C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813251490 DZHXSYWHUFFTFO-MZJDFNFHSA-N 453.495 2.468 10 20 JECD O=C(CCc1ccoc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1813525070 DPFURLUPJKFVAQ-UWJYYQICSA-N 472.592 2.174 10 20 JECD Cc1onc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c1C 1815454767 KQVQCNJYZDXNGZ-ZDUSSCGKSA-N 462.557 2.181 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3c1OCC3)CC2)c1cc(O)nc(O)c1 1816724774 HSKNLQIYCDEYEH-CYBMUJFWSA-N 452.492 2.424 10 20 JECD C=C(Oc1ccccc1O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1817260180 JYXKSRAURXGFOL-CYBMUJFWSA-N 468.491 2.473 10 20 JECD O=C(Cc1ccccn1)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362312 KNSPBVMGRAEQCR-INIZCTEOSA-N 474.546 2.486 10 20 JECD CC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362646 SIAHKMVYPDZEAK-CQSZACIVSA-N 453.524 2.217 10 20 JECD O=C1CSc2ncc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)cc2N1 1817847337 WMLVYXYYJBLBGZ-HNNXBMFYSA-N 495.521 2.275 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc2n(n1)CCCC2 1819096370 BKPJASRRXBQCGR-MRXNPFEDSA-N 487.611 2.109 10 20 JECD CN(C)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823496248 IWSWPKLCAHPVQH-MRXNPFEDSA-N 487.611 2.037 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCCO2)CC1 1823823559 BTTZNKGSZMWZIA-SJORKVTESA-N 453.630 2.036 10 20 JECD Cc1cncc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1 1832898388 MJRLPSSAHHXBHL-GOSISDBHSA-N 460.625 2.484 10 20 JECD O=C([C@H]1[C@H]2SC=C[C@H]21)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899242 BJTHKLRMOUAGJV-SFUIVIKGSA-N 465.666 2.342 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1ccc(=O)oc1 1834339967 HMDSUIAAPURGEO-UHFFFAOYSA-N 475.929 2.203 10 20 JECD Cc1nc2ccncc2cc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834987664 SLNZZCONWMYKGZ-UHFFFAOYSA-N 490.564 2.243 10 20 JECD CC(C)(C)OC(=O)N(CC(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)C1CC1 1841140086 GIMKAVTUEPHYJK-UHFFFAOYSA-N 495.580 2.382 10 20 JECD COc1ccc(CCC(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cn1 1841932362 FHTRUULTPROMCF-UHFFFAOYSA-N 461.522 2.019 10 20 JECD Cn1c(=O)c(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)nc2ccccc21 1843744517 STHNHFHMGNRXOK-UHFFFAOYSA-N 468.897 2.129 10 20 JECD COc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc(OC)c1OCC(N)=O 107981046 QKZQYPFIFWLPCK-UHFFFAOYSA-N 497.470 2.353 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNS(=O)(=O)c1ccc(Br)cc1 728302202 RFMBASIZQZMAOH-UHFFFAOYSA-N 482.400 2.223 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc4c(c3)CCCC(=O)N4)CC2)cc1 728753566 JSHQESCSNVDPDV-UHFFFAOYSA-N 479.581 2.237 10 20 JECD COc1ccnc(N2CCN(CC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)CC2)c1 729484128 PRUPJPKWZIISSC-KDURUIRLSA-N 471.577 2.281 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 752658075 ZJYDFVOCCUBPKW-UHFFFAOYSA-N 472.611 2.268 10 20 JECD Cc1cccc(C(=O)OCC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c1N 899170224 QQLULIJBDSWVLJ-VCHYOVAHSA-N 499.570 2.480 10 20 JECD Cc1cc(C(=O)COC(=O)CN(C)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1 914923265 FGDGBWSUWRGFJO-UHFFFAOYSA-N 457.346 2.474 10 20 JECD C[C@H](OC(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 915402801 ABHNKGLBHAYQOS-AWEZNQCLSA-N 497.463 2.448 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 917868499 WWAVGLNGDFANAU-JOCHJYFZSA-N 460.556 2.027 10 20 JECD CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 918436742 AKXJPIOYDMFWAG-UHFFFAOYSA-N 456.518 2.100 10 20 JECD CCOC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 918465861 UIKSZQIEZZEYNQ-KRWDZBQOSA-N 467.526 2.212 10 20 JECD COC(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cn1 919055580 IWDJFPDQEMLYOU-GASCZTMLSA-N 459.474 2.094 10 20 JECD CCS(=O)(=O)N1CCC[C@H](C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 919645002 IXVPWGQDFVHILL-HOTGVXAUSA-N 498.557 2.394 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 919699618 SPVGRDNWKCHZBV-OAQYLSRUSA-N 495.603 2.486 10 20 JECD CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 919790446 HUQBQMUBIOXURP-UHFFFAOYSA-N 461.607 2.265 10 20 JECD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)cc1 920881113 CPQPHRRNSDSXPI-NRFANRHFSA-N 486.638 2.015 10 20 JECD COC(=O)c1cc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n(-c2ccccc2)n1 1115984948 FKPALEJVLKUPAF-UHFFFAOYSA-N 496.495 2.108 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CNC(=O)O2)C3)cc1 1780987219 QYRMZFXWGHUPGN-VVZHRXSXSA-N 480.565 2.330 10 20 JECD COc1cccc2c1C[C@@H](C(=O)NC[C@@]13CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C3)CC2 1781670213 FYORDFHRGIBKSX-CFESPSLPSA-N 495.576 2.434 10 20 JECD CC(C)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)no1 1785508686 JHDVHFQFWCKIHI-FIYNHDKVSA-N 457.483 2.072 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787540158 KPVJLQQPIWNHGF-NHTRMHBPSA-N 489.576 2.033 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796933093 OCDUYINNOGJVGS-GGPHIMKMSA-N 483.569 2.331 10 20 JECD Cc1cc(C)n2ncc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C3=NN(c5ccccc5)C(=O)C3)C4)c2n1 1797434658 NAISACSKADNOPF-FNLKRUPLSA-N 485.548 2.391 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccc(Cl)cc1)C2)c1cc(O)c(O)c(Cl)c1 1799766930 IPQFQHHXUJJCAA-ZSBFGKGUSA-N 479.316 2.491 10 20 JECD CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1 1802080486 QGJBUGQJYXWSTO-NWZCZOCDSA-N 452.507 2.282 10 20 JECD COCCCC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1802975557 TUPFBETYGDUQES-CYFREDJKSA-N 463.538 2.307 10 20 JECD CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)N(CC)CC 1807994774 ZUHFHFFEUIMTJW-KPLVRAHFSA-N 455.559 2.328 10 20 JECD Cn1ncc2cc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)ccc21 1809428029 OVINBDXWPWJCAR-HXOBKFHXSA-N 472.505 2.408 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cn2ccsc2n1 1809935493 WSELYKGJCWDWHR-AUUYWEPGSA-N 464.507 2.230 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803896 OMCCFWPKXTWZSN-JLTOFOAXSA-N 455.902 2.432 10 20 JECD O=C(NC[C@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810265 SFTBVXINLNFAFP-BYYUCUBISA-N 457.914 2.358 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCc3ccccc3[C@@H]1O)CC2)c1cc(O)nc(O)c1 1816719963 BYWOTXPLRRYTCJ-NVAPDCRFSA-N 480.546 2.471 10 20 JECD COc1nccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)c1F 1817845029 UZTRMAZBOWHKCC-CQSZACIVSA-N 456.434 2.378 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cccc4c3OCC4)sc2C1 1817999089 XITJRRKOGWXYKN-LBPRGKRZSA-N 488.616 2.164 10 20 JECD CCC[C@@H](NC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818147708 FHXPMLBYVJOJIE-NQIIRXRSSA-N 493.568 2.500 10 20 JECD CC(C)n1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)n1 1820340318 OWVFOLVUELUIIJ-HNNXBMFYSA-N 475.600 2.353 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c[nH]nc3c2)[nH]n1 1823497487 FPDPFTALPXETHS-MRXNPFEDSA-N 483.579 2.452 10 20 JECD C[C@@H](Cn1cncn1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823710854 NADCGRLLXDKTMB-CMPLNLGQSA-N 476.946 2.361 10 20 JECD O=C(CN1CCCCC1=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717406 FHOLHZAOWANQIO-HSZRJFAPSA-N 493.608 2.412 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1csnn1)CC2 1828195558 QEMPOMYSUUFANK-GCEAOBNSSA-N 459.509 2.051 10 20 JECD O=C(Cc1cccnc1Cl)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432172 FSDPWKDYPKDJLH-QFIPXVFZSA-N 496.347 2.112 10 20 JECD O=C(c1ccc2ncoc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434311 YDZQTKIPPKFEGQ-HSZRJFAPSA-N 487.896 2.276 10 20 JECD C[C@@H](Cc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840302021 RGFPIORLWZYRKI-DTDXPTDKSA-N 496.560 2.152 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)ccc1C(F)(F)F)CCO2 1840768473 KBQFKOMCQYXBPA-NRFANRHFSA-N 499.417 2.035 10 20 JECD CCC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)n1cccc1 1840881035 ZNBKMHFUMUJHET-HHFMMLNOSA-N 499.564 2.116 10 20 JECD O=C(c1ccc(-c2ccc(O)nn2)cc1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039514 XSKIDTROXZQRKQ-YRNVUSSQSA-N 488.500 2.496 10 20 JECD Cc1cc(C(=O)Cn2cnc([N+](=O)[O-])c2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 29211009 SUGDYTGRVSOJPS-UHFFFAOYSA-N 473.511 2.103 10 20 JECD NC(=O)[C@@H]1CCCN(CCCNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 729363636 QKUJJPYUWZVVIS-OVGFGYAMSA-N 480.681 2.433 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)CC2)cc1 742948167 NBFBQMZWZRQSMG-UHFFFAOYSA-N 494.640 2.220 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(C(=O)c4ccccc4OC)CC3)CC2)cc1 916197160 WFRYVWVZARRBLI-UHFFFAOYSA-N 495.624 2.384 10 20 JECD CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 918465851 UEGBUJJAFJVQNF-PCLFDXGNSA-N 478.549 2.220 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cc2F)C[C@@H](C)O1 918989838 IKIRPANVCLUGEA-SCTDSRPQSA-N 475.561 2.390 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C3CCN(c4cnccn4)CC3)cc2F)C[C@H](C)O1 919073230 YJCLSNNBVAVKHR-ROUUACIJSA-N 485.560 2.305 10 20 JECD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c1 919790679 WYEFBNDSVQMOFT-UHFFFAOYSA-N 472.611 2.356 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(CCN4CCCC4)cc3)cc2)C1 920193760 IPDFEJAIOWMALG-JOCHJYFZSA-N 477.609 2.282 10 20 JECD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 920925045 GXWKTJHAXGELHD-SFHVURJKSA-N 488.610 2.418 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cn3c(F)cccc3n1)CCO2 1782007588 HRMJFMCMGKEWLU-QFIPXVFZSA-N 474.876 2.295 10 20 JECD C[C@]1(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)CC=CCC1 1784754016 WNOCRTAGJAJRDM-DQEYMECFSA-N 450.539 2.356 10 20 JECD CNc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)cc1 1786827408 ZVMBEJSCMAIANS-HARLFGEKSA-N 475.549 2.115 10 20 JECD CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)cc(C)n1 1787731534 MBVZJJFRMXBDPH-OEOAZWSVSA-N 489.576 2.339 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSC3CCCC3)C[C@@H]21 1792217482 DXCOUZANFFQCFG-GFWDFKOESA-N 476.595 2.472 10 20 JECD CC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1792977248 KPWYNIKHBNFKDX-XNTOXWQXSA-N 474.602 2.114 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]21C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796602715 UXNWUYXQDWKLLK-QLNKMIMGSA-N 472.542 2.144 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc(-c2ncc[nH]2)cc1 1801819026 NFGCRTBNGXAXSV-VBNMUIRISA-N 490.516 2.110 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc3C1)C2 1802079713 SPWPYRGACUWSKL-RNWFBRSPSA-N 478.545 2.211 10 20 JECD COc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1 1804332207 RBKSZMILBJFYFG-BJWYYQGGSA-N 461.609 2.126 10 20 JECD Cc1nnc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)o1 1807478274 GQNCNBUJBBNEIG-XOBRGWDASA-N 471.901 2.400 10 20 JECD CCn1nc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1C 1811026188 ZTHNWICCYVOMQA-IIBYNOLFSA-N 450.499 2.046 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728116 JDQCSJQVFUMEHU-ZYHUDNBSSA-N 477.543 2.088 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728679 LIIMSSHWCZQMQV-LLVKDONJSA-N 485.478 2.411 10 20 JECD O=C([C@H]1ON=C(c2ccccc2)O1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428279 MODZQWZWUYRBTA-KBMIEXCESA-N 480.521 2.461 10 20 JECD O=C(Cc1ccc2c(c1)OCO2)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837748643 ZAVAKENDMOMTNK-UHFFFAOYSA-N 483.521 2.076 10 20 JECD CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1841923452 HAPKXJLLBYEACW-HNNXBMFYSA-N 498.671 2.134 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)C1 1843249092 VNHLOVGRMBWJCF-GOEBONIOSA-N 460.531 2.003 10 20 JECD CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1)C(C)(C)O 1845502502 GUJMAMQCLMWVLM-QGZVFWFLSA-N 497.976 2.232 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)c2C)cc1C 16161506 LMLWUXQDQXRJRT-UHFFFAOYSA-N 491.548 2.274 10 20 JECD Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)ccc21 195537483 FYMBFLAHVOQRDC-UHFFFAOYSA-N 471.457 2.465 10 20 JECD CS(=O)(=O)NCCN1C(=O)/C(=C/c2cnn(-c3ccc(Br)cc3)c2)SC1=S 727175818 AOXTVMRIHQLLKN-ZSOIEALJSA-N 487.426 2.385 10 20 JECD O=C(COC(=O)[C@@H]1CCCN1c1ncnc2sccc12)NCc1ccc(N2CCOCC2)c(F)c1 728673217 PGESCJJQFRDPHG-FQEVSTJZSA-N 499.568 2.495 10 20 JECD C[C@@H](c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1)N1CCOCC1 729785158 VIYOTMOLVIUORW-UGKGYDQZSA-N 493.608 2.036 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OCCC(=O)OC)cc2)cc1OC 917758349 QQZRDGQBLAZSKD-UHFFFAOYSA-N 472.541 2.200 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C1 917929585 HXDZMFIEGYEPIC-AWEZNQCLSA-N 452.920 2.428 10 20 JECD CC(C)C(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 918464566 WWRXJWACZNDVPQ-SFHVURJKSA-N 465.554 2.238 10 20 JECD C[C@H]1CN(c2ccccc2NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@@H](C)O1 919662025 DYCWVQNFIWKLQO-SVFBPWRDSA-N 493.608 2.257 10 20 JECD O=C(CCNC(=O)c1cccs1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919698217 XGVJYJFYXZATKV-UHFFFAOYSA-N 468.558 2.440 10 20 JECD O=C(COC(=O)c1ccn(-c2cccc(F)c2)n1)NCc1ccc(N2CCOCC2)c(F)c1 920704997 XAXRTTLMZGPDBN-UHFFFAOYSA-N 456.449 2.460 10 20 JECD CCOC(=O)c1c(N/C=C2\C(=O)NC(=S)N(CC(C)C)C2=O)sc2c1CCN(C)C2 920978554 IYTDDDXFRSHAQD-MDWZMJQESA-N 450.586 2.108 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H](C)OC[C@H]2CCCCO2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 921217366 AZPWDOFUFBTQBR-PKOBYXMFSA-N 478.567 2.442 10 20 JECD CCOC(=O)N1CCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 935162181 DJZRDOKMFVNNEB-UHFFFAOYSA-N 478.483 2.016 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3ccncc13)C2)c1cc(O)nc(O)c1 1777852225 IYOICQQJZUAAOB-CJFMBICVSA-N 462.506 2.482 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncc(F)cc1F)C2)C1=NN(c2ccccc2)C(=O)C1 1778126613 FPBTYSLANUUWMO-CJFMBICVSA-N 497.502 2.280 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4cccc(Cl)c34)C2)C1 1778762654 ISVSJLNTWYWUML-NRFANRHFSA-N 493.010 2.125 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3cc4ccsc4[nH]3)C2)C1 1782286054 SOQCHJCURWWTJA-XMMPIXPASA-N 477.546 2.466 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)cn1 1783220035 OVEPDNYIXHNZBO-FFROZUAJSA-N 467.522 2.348 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)cc1 1783927505 AGECRZZTBVTAGR-UIOOFZCWSA-N 483.565 2.153 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)C1(C(F)(F)F)CCC1)CCO2 1785509100 NHJKCXDRMZBHOP-GECPCNCSSA-N 470.444 2.379 10 20 JECD COc1c(C)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)cc1C 1787294194 JCQOCPRGQWPGHQ-SNRMKQJTSA-N 455.511 2.025 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)cc(F)c3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540225 ONPVJCHNHMWKPW-LVWPNOBMSA-N 482.487 2.351 10 20 JECD CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cn1 1805338395 KUDLZUQKVNPJNA-HRAATJIYSA-N 483.619 2.219 10 20 JECD CN1CCC[C@H](C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)C1 1807573974 GQGXKVQOSRGXMC-PEYWDUKJSA-N 480.565 2.259 10 20 JECD COc1nc(C)ccc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807994838 KHVITWPJYZPMTR-HRAATJIYSA-N 463.494 2.233 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)N1CSCSC1 1810401174 GGFFZPRWSLIVHS-PTSWNOGYSA-N 489.623 2.250 10 20 JECD O=C(COc1ccc(O)nn1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1812353215 MDDCFHCKZLZRBO-LHSJRXKWSA-N 499.911 2.040 10 20 JECD O=C(/C=C/c1cccc(O)c1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1812729481 FXGWIIMRNSFQSG-CWNBPXTLSA-N 496.614 2.367 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)n1cccn1 1813429288 IIEIBXSLYXRIMP-PJZHBHPDSA-N 477.521 2.375 10 20 JECD Cc1ccncc1CCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814185247 OADCFAOUIJKEHY-XXBNENTESA-N 497.646 2.284 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1ccc(=O)oc1 1816643127 QZYYLNBEKAFDQN-IBGZPJMESA-N 474.477 2.462 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(n2)OCCO3)[nH]n1)c1cc(O)nc(O)c1 1817844751 JHBSOTYHAGIEEE-HNNXBMFYSA-N 466.454 2.002 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)sc2C1)c1cc(O)nc(O)c1 1821451812 RUASJFIQOCRGSZ-SNVBAGLBSA-N 499.461 2.126 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cnn3ccccc23)[nH]n1 1823498848 WTBTXQCFASZSFM-INIZCTEOSA-N 483.579 2.224 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)ncn2)CC1 1824655885 LETXOMGHDRQUKZ-NRFANRHFSA-N 476.537 2.208 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cnn3ncccc23)CC1 1827525501 VCORICNHHVKFLZ-GOSISDBHSA-N 450.499 2.083 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc(Cl)s1)CC2 1828244550 JZUQYLVCJCVCBB-SSDOTTSWSA-N 488.041 2.339 10 20 JECD O=C(c1ccn2cncc2c1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902761 UJDVLTNNQPYOQI-LJQANCHMSA-N 485.635 2.428 10 20 JECD CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)CC1 1833440362 KHPMCNPRUJLFAS-UHFFFAOYSA-N 479.625 2.415 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NO[C@@H](c4ccccc4)C3)CC2)CC1)c1cc(O)nc(O)c1 1834987016 ALPKSLQHZUADMZ-JOCHJYFZSA-N 493.564 2.196 10 20 JECD CC(C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1836755103 MILNVYUTXWIWGP-IBGZPJMESA-N 454.951 2.380 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc4cnccc4n3)CC2)CC1 1838031401 CBJJUBJRQNQVLT-UHFFFAOYSA-N 477.521 2.362 10 20 JECD COC(=O)c1ccc(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1838031818 OUKMKTQDNJNVOF-UHFFFAOYSA-N 497.548 2.134 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccc4o3)C2)C1 1840881047 ZVBZAAAPHMQIIN-WHVGEVHXSA-N 494.500 2.333 10 20 JECD CNC(=S)NCCC(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1844267541 NOAYXZONDRFHMD-UHFFFAOYSA-N 453.612 2.395 10 20 JECD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846110899 AAKPVOBOTSDFMW-KRWDZBQOSA-N 486.569 2.347 10 20 JECD COc1ccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)cc1Cl 1846848294 IYKGFMYGZMROJU-UHFFFAOYSA-N 453.973 2.026 10 20 JECD COc1ccc(N2CCCN(C(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)CC2)cc1 108429993 KYKYLURREXTWSF-UHFFFAOYSA-N 458.584 2.230 10 20 JECD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NC3CCN(c4ccc(OC)cc4)CC3)cc2)CC1 726726850 CQRQNVJXISBRTB-UHFFFAOYSA-N 493.608 2.197 10 20 JECD CC(C)CN1CCN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CC1 727239318 UYBYVBLRMRVRHD-UDWIEESQSA-N 490.651 2.006 10 20 JECD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2)CC1 744908653 YVIHCVXGJAFGMU-HXUWFJFHSA-N 493.608 2.117 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)cc1F 747012297 QTJBYPVDKKNMLJ-UHFFFAOYSA-N 462.485 2.004 10 20 JECD O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(c4ccc5nnnn5n4)CC3)ccc21 754547130 FBELHRFPVPMYGU-UHFFFAOYSA-N 453.462 2.150 10 20 JECD NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 916233875 OZNRRTYIHPAJKC-QFIPXVFZSA-N 453.612 2.294 10 20 JECD O=C(CNC(=O)Cc1cccc2ccccc12)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918340723 SLROWHXOZHWREZ-UHFFFAOYSA-N 465.575 2.050 10 20 JECD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1C 918813664 FMFLARULRDTIPK-SFHVURJKSA-N 485.562 2.294 10 20 JECD CCOc1ccc(N2C[C@H](C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2=O)cc1 918831141 WSZZRHVFEQABJX-LJQANCHMSA-N 499.539 2.274 10 20 JECD CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)ccc1Cl 919878821 ZKZCGSAOGOYAME-UHFFFAOYSA-N 471.988 2.077 10 20 JECD COC(=O)N(C)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 920192020 BOCWOZHNAINHKY-UHFFFAOYSA-N 454.527 2.353 10 20 JECD C[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)c1ccc(N2CCOCC2)cc1 920890248 RJAXINONZJLHQL-AVRDEDQJSA-N 473.595 2.472 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1ccc(N2CCOCC2)cc1 920924709 DCYKXTRXPAZLBS-QZTJIDSGSA-N 491.552 2.130 10 20 JECD O=C(C=c1sc(=Cc2ccc(N3CCCC3)cc2)c(=O)n1CC(=O)N1CCCCC1)C1CC1 1317901945 GGHYHGPSTCSHIT-UHFFFAOYSA-N 465.619 2.111 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCn3cccc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787541322 DMIKPLMFBIRNTA-RRPUWOKSSA-N 477.565 2.041 10 20 JECD Cc1ccc2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)ccc2n1 1787985217 OPOSBKIBTCOYRF-CUWPLCDZSA-N 462.506 2.257 10 20 JECD COC(=O)CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790246070 IVYRRTPWFPLFRF-QOKNQOGYSA-N 482.961 2.468 10 20 JECD Cc1cc(F)cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1 1791360875 LXNXFMGBLUIRHR-APTRMMRNSA-N 492.551 2.449 10 20 JECD Cc1ccncc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792217873 UEFRNQAAGAUTML-CGEYWZFRSA-N 481.549 2.133 10 20 JECD COC[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1798641130 LXXSIHORIHNEOF-GNLZIIPMSA-N 466.582 2.497 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(N2CCCCC2)cc1 1799596917 PXWFRFYHLCQRRU-BBIADKPPSA-N 466.538 2.000 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ccoc3c1)C2 1802079335 BLTGLYUXEPRAEA-OFZGJKQNSA-N 464.474 2.466 10 20 JECD COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)c(O)c1OC 1804289280 ASYCJHDRZXWBNQ-LSEKCYLXSA-N 484.505 2.491 10 20 JECD NC(=O)c1ncccc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1804811936 GHURBGPKNBFWAT-VLIAUNLRSA-N 495.923 2.274 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)CC1 1805233806 VLTCNGPWPUHCSR-UHFFFAOYSA-N 499.614 2.498 10 20 JECD Cc1noc(C)c1CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807993875 PBUAEBPKCGFICD-HXOBKFHXSA-N 465.510 2.445 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnco2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808463327 CGTWKZVCOVNKRQ-VGOFRKELSA-N 458.478 2.182 10 20 JECD Cc1ccccc1OCC(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1809340647 PSDMSOROYNRLRZ-UHFFFAOYSA-N 475.636 2.465 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1ccc(CO)o1 1810831693 DOZXAIZIYKNUBJ-KOSHJBKYSA-N 487.516 2.279 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n(C(F)F)n1 1811519210 QGLXGSNOAAZHSN-AUUYWEPGSA-N 472.452 2.421 10 20 JECD CN(C)c1cccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1811832933 DQGOHISGSMTWIC-GCJKJVERSA-N 497.646 2.328 10 20 JECD Cc1ccn2c(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)cnc2c1 1812254473 VGRSNQUZSWQUNL-GAJHUEQPSA-N 472.505 2.477 10 20 JECD CCOCCC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813535658 KBULJBXYYAHAFK-DVECYGJZSA-N 463.538 2.307 10 20 JECD COCC1(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)CC1 1814162511 SXWKYFSPQZWEDT-QLAXGMPUSA-N 467.522 2.344 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814192123 RDUQEQZIXYGIPX-CDMIOBSGSA-N 497.646 2.222 10 20 JECD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822357457 JKYWFSLLWTZIEW-UXLLHSPISA-N 469.498 2.277 10 20 JECD O=C(CNC(=O)C(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1822443612 OQZFAVRQLKQMKR-GFCCVEGCSA-N 489.838 2.459 10 20 JECD O=C(/C=C/c1cnc[nH]1)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1826566170 URENCGBIKBVOER-KGXGESDWSA-N 475.534 2.285 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1ccsc1)CC2 1828242246 GOBHJDIMILAQSD-NSHDSACASA-N 466.635 2.220 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1cc(F)cc(F)c1)CC2 1828242371 HJBSHGBOORJZET-ZDUSSCGKSA-N 496.586 2.436 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1nc3ccccc3o1)CC2 1828246901 HZFXYQPDDQWEQV-SNVBAGLBSA-N 487.588 2.370 10 20 JECD O=C(c1cc(CO)on1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876840 OVHXCBQRIZGVGS-WSSFADSRSA-N 471.510 2.230 10 20 JECD Cc1nn[nH]c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877603 UDYYJBIZIFMOSL-JKNJVXJCSA-N 455.515 2.177 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CC3Cc4ccccc4C3)CC2)CC1)c1cc(O)nc(O)c1 1834988644 YTSCPAADUUNPKW-UHFFFAOYSA-N 478.593 2.483 10 20 JECD CC[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)CC1 1840057773 YPGRBBXNUWXFFQ-LGVUCKNBSA-N 496.608 2.452 10 20 JECD COc1c([N+](=O)[O-])cc(N2CCC(C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1Br 14219491 GQPHACFUVPFPHC-UHFFFAOYSA-N 473.280 2.349 10 20 JECD CC(C)C(=O)N1CCCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 727841739 FOPXBXJBIGOJND-UHFFFAOYSA-N 483.592 2.342 10 20 JECD Cc1cccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)C2=O)c1 730747069 DDXFKPXTXQUYHQ-UGKGYDQZSA-N 477.565 2.218 10 20 JECD CCc1ccccc1NC(=O)CN1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 917176926 IHFPTJKOPSWHPJ-UHFFFAOYSA-N 479.625 2.163 10 20 JECD C[C@H](NC(=O)c1ccoc1)C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917317419 FHUAWMAZVIRRNI-OAGGEKHMSA-N 461.490 2.010 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 918336336 XDABSKQNJJLSOH-UHFFFAOYSA-N 491.635 2.026 10 20 JECD COc1ccc(CCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c(OC)c1OC 918337502 LQHMCJMIMDBUKX-UHFFFAOYSA-N 462.568 2.196 10 20 JECD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918439949 ZJBWEODFVLQRBJ-UHFFFAOYSA-N 470.545 2.488 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)CC2)cc1 918461569 GEAPTDVTWOCUDR-UHFFFAOYSA-N 495.001 2.276 10 20 JECD CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919699337 KSXUHJZCJMNELD-UHFFFAOYSA-N 498.584 2.089 10 20 JECD Cc1ccc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1C(=O)O 919729103 CUKZMEVYNCLDLG-UHFFFAOYSA-N 485.541 2.427 10 20 JECD Cc1cccc2c(=O)n(CC(=O)NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)cnc12 919762219 ZNDJNCQRYMYWIR-UHFFFAOYSA-N 487.539 2.277 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@H]1c2ccccc2C[C@@H]1O 919785233 WHCQIUIJPZGSOB-GOTSBHOMSA-N 462.529 2.400 10 20 JECD COc1ccc(N2CCN(C(=O)CN3C(=O)c4ccc(Br)cc4C3=O)CC2)cc1 920089242 XPKGQJHHEMXMSB-UHFFFAOYSA-N 458.312 2.403 10 20 JECD CCOC(=O)COc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 920925904 MEFLYUOIMXTFCZ-QGZVFWFLSA-N 455.511 2.281 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC=C2C(=O)N(C)C(=O)N(C)C2=O)c1 920975873 ATTTVWDPKSPZMG-UHFFFAOYSA-N 477.587 2.054 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)c1ccccc1Cl)C2)c1cc(O)nc(O)c1 1777850966 OGGCRXQEJFAEPX-HCLVMJGWSA-N 475.929 2.007 10 20 JECD C[C@@H](Cn1ccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1782547723 TTYNWWLJFHPPNK-FCORRRHLSA-N 476.961 2.412 10 20 JECD CC(C)n1nccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783221933 UCBNVGFSRSGIHN-OOSRFHLNSA-N 484.553 2.422 10 20 JECD O=C(CCCOc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1793850091 SJGPZDYRUWOPML-MFKICJERSA-N 475.929 2.209 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc(Cl)nc2n[nH]cc12 1796054119 IFLAUMWPGYNWEX-YQYWCBKUSA-N 492.319 2.193 10 20 JECD O=C(C[C@@H]1COc2ccccc2O1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1803459411 KPNLWVMEWITGMJ-RAWGQGSESA-N 490.516 2.438 10 20 JECD Cc1cnc(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)s1 1807918588 JGMBQPLNXGHSJJ-UHFFFAOYSA-N 452.627 2.157 10 20 JECD Cc1nccnc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808467394 CVMINTJMLRWXIH-YADARESESA-N 483.532 2.293 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccc2c1OCCO2 1809233828 CPYXFVBPYHLOHD-OPAMFIHVSA-N 476.489 2.292 10 20 JECD CC(C)n1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)n1 1811583693 QNZAGBBRVGSCGJ-OXJNMPFZSA-N 486.623 2.039 10 20 JECD Cc1ccc(C(=O)C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1812964075 VCYQWSRHYDFIOR-GCJKJVERSA-N 460.490 2.399 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CCN2CCCC2)[C@H]1c1cccnc1 1814165292 DQHKIPACTSOHEV-PAQDKISJSA-N 480.565 2.404 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1cnsn1 1816167961 APRVJNRTEVBJQA-HZRUHFOJSA-N 456.484 2.397 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c3ncccc13)CC2)c1cc(O)nc(O)c1 1816726365 XMJZKXSFFQKCAG-LLVKDONJSA-N 450.480 2.365 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccon1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817362446 PUPZEPCUVDPMNM-LBPRGKRZSA-N 450.480 2.150 10 20 JECD C[C@H](Cn1cncn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1820076056 AEMUOLYGEWGRTH-PWSUYJOCSA-N 476.946 2.361 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cnccc3Cl)sc2C1 1820272892 CAEYPWPOMQZPMB-SECBINFHSA-N 482.012 2.278 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(-c4ccncc4)[nH]n3)sc2C1)c1cc(O)nc(O)c1 1820588789 JYTAEKWVSHHZFT-ZDUSSCGKSA-N 477.506 2.274 10 20 JECD C[C@]1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)CCCN1 1820818093 ABXZZKUTZAAYGJ-NTKDMRAZSA-N 463.542 2.337 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(Cl)nc2)[nH]n1 1823496784 OYDTUSQXMUMKLB-LBPRGKRZSA-N 479.975 2.019 10 20 JECD C[C@H](Cn1ccnc1)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828200058 JSHYPCVWGPPENB-UAXQYSOPSA-N 483.550 2.418 10 20 JECD O=C(c1cc(CO)on1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876841 OVHXCBQRIZGVGS-XZXOBPBMSA-N 471.510 2.230 10 20 JECD O=C(Cc1cnc2ccccn12)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896391 GKTXWYSPLYXWQR-LJQANCHMSA-N 499.662 2.357 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@@H]3F)CC2)CC1 1837009901 CVPXJCZDSFLSFO-UXHICEINSA-N 456.518 2.136 10 20 JECD Cc1cccc(CCC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)n1 1837100115 GRXOXKZCYQNOHL-UHFFFAOYSA-N 468.554 2.441 10 20 JECD CCCCC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1839906111 KWQQYUNETLPSLK-CJAJTKCTSA-N 476.570 2.489 10 20 JECD Cc1ncc(C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)cn1 1842333252 VSUOBPJTOUCTKJ-OAQYLSRUSA-N 494.596 2.320 10 20 JECD CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)C(C)(C)C 1843323532 RBRUQIQUKGHLRS-QGZVFWFLSA-N 462.547 2.249 10 20 JECD CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846143961 IHBVJJDFSCIRDC-URLQWDBASA-N 472.542 2.098 10 20 JECD COc1ccc(N2CCCN(Cn3nc([C@H]4CCS(=O)(=O)C4)n(C)c3=S)CC2)cc1 250808554 SVZYVEJVKHDZTO-INIZCTEOSA-N 451.618 2.032 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCC[C@H](CN4CCN(c5ccccn5)CC4)C3)CC2)cc1 303043803 SXERBSAXIGBTNB-XMMPIXPASA-N 492.668 2.273 10 20 JECD COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3ccn(-c4ccccc4)n3)CC2)cc1 726844155 NRWZRVGMZPJGCA-UHFFFAOYSA-N 454.552 2.145 10 20 JECD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 731049834 RDBASXCFQLUFGZ-UHFFFAOYSA-N 473.599 2.269 10 20 JECD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1 747017496 NQSHNWHVOQGWQP-UHFFFAOYSA-N 458.584 2.353 10 20 JECD COc1ccc(-c2nnc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)n2N)c(OC)c1 749970002 SJMVJUGJKKDHRG-UHFFFAOYSA-N 456.572 2.493 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)cc2F)C[C@@H](C)O1 917710496 JJZHAEODBHMYDU-KRXBEKAOSA-N 480.540 2.449 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)cc2F)C[C@@H](C)O1 917712151 HQBCZFTXHUCKJB-HLFMIMNKSA-N 471.508 2.315 10 20 JECD CN(C)C(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1Cl 918284632 LETNZOKWXLXZLD-UHFFFAOYSA-N 462.909 2.272 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(CC(=O)N(C)C)cc3)cc2F)C[C@@H](C)O1 918286271 GJVHKWXJWAYZLI-CALCHBBNSA-N 470.545 2.325 10 20 JECD CC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 918463229 JMFRCNDTXKRQQJ-LJQANCHMSA-N 479.581 2.172 10 20 JECD Cc1cccc(N2C[C@@H](C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2=O)c1C 918983186 CAOSFIGLYNWUQZ-FQEVSTJZSA-N 483.540 2.492 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NC[C@H](O)c1ccccc1 919782603 MFVIZUNUGKUFTG-QFIPXVFZSA-N 450.518 2.475 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(CN4CCC[C@H]4C(N)=O)c3)CC2)cc1 920928594 UCBGLPYDGRSQIK-VWLOTQADSA-N 494.640 2.479 10 20 JECD CCN1CCC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)CC1 1778127276 IAVBDSQWZOJADA-YIXXDRMTSA-N 495.624 2.025 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)[nH]3)C2)C1 1779354970 XEGRNDHNXQFILY-QFIPXVFZSA-N 489.454 2.270 10 20 JECD C[C@@H]1C[C@@]1(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1780621584 KQBSXVOETJTEGC-POBVKMQOSA-N 452.555 2.339 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781754118 WRENGLIVZCAHDR-IBVKSMDESA-N 481.597 2.245 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(C4(C(F)(F)F)N=N4)cc3)C2)C1 1781953434 BPRVRSCAQXZDLQ-HXUWFJFHSA-N 491.426 2.431 10 20 JECD Cn1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1C(F)(F)F 1782004976 RNYXLOCOCIANOZ-LJQANCHMSA-N 488.850 2.261 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)[C@@H]1CCc2ccccc21 1782308794 MMJSTSRFWNTBIJ-UMEGOILYSA-N 451.523 2.350 10 20 JECD O=C(Cc1ccc(Cl)s1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1785108089 VLYQSCKZQLREGW-CQDKDKBSSA-N 451.932 2.044 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccsc1 1785920570 KHUIEAQQSJCCIO-QSFXBCCZSA-N 452.536 2.134 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3Cc4ccccc4C3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787541469 QJWNBSUJIQUSMX-OPHFCASCSA-N 486.572 2.174 10 20 JECD N[C@H](CC(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1)c1cccnc1 1792313948 MTDVPEYUIGCRPU-GOSISDBHSA-N 483.619 2.466 10 20 JECD COc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1C 1801653371 FYEDMQUNMBQZJL-TYLLUKGSSA-N 468.506 2.037 10 20 JECD COC(=O)c1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1802585352 ATDYAACPPGFKSA-QQFNCUIESA-N 488.544 2.447 10 20 JECD COCC1(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)CC1 1803545765 IRDYKLLBWODAFE-SHXHPMEISA-N 467.522 2.344 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ncc1[N+](=O)[O-] 1807992942 FJBZGQFQTAGPDD-BTYIYWSLSA-N 478.465 2.133 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)CC1 1807994341 UMQHYIZLTDQATN-RPLGYBLPSA-N 482.537 2.187 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1808816581 RMQMLGYIKSNORN-NRJQMVOHSA-N 498.630 2.415 10 20 JECD Nc1ccccc1/C=C/C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1815100845 OPYCKSMGAYVWTL-LHRNQBEKSA-N 451.508 2.471 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1ccc[n+]([O-])c1 1816055445 AIDBGSIIPZHBHZ-HXUWFJFHSA-N 473.493 2.142 10 20 JECD C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)O1 1817362429 OUAZCPUISIGYOW-HBUWYVDXSA-N 467.551 2.416 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc(N2CCOCC2)cc1 1817381752 DMWNBTFQKHUNBF-INIZCTEOSA-N 495.561 2.326 10 20 JECD Cc1cccnc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1824703351 RAINMSYJKZHZIZ-QGZVFWFLSA-N 460.625 2.484 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1829165157 XZLZRXDCDUZDET-BIENSFFJSA-N 485.497 2.381 10 20 JECD O=C(O)c1cnncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1829254750 KKVKQESWPHIJPU-WSSFADSRSA-N 496.520 2.238 10 20 JECD Cc1cc(C)nc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1838003069 LOELXBSPVXXLTI-UHFFFAOYSA-N 454.527 2.431 10 20 JECD Cc1ccc(C(=O)C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1838031855 SILYFEBOLFEXRX-UHFFFAOYSA-N 467.522 2.296 10 20 JECD O=C(c1ccnc(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431821 OMQAMRULIXAJCV-NRFANRHFSA-N 482.320 2.183 10 20 JECD Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)c1 1839433679 PJBBOOXJZZAOJA-QHCPKHFHSA-N 460.914 2.443 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=COCC4)CCO3)C2)cc1 1840562421 QRRDWGHSLZJMDX-SANMLTNESA-N 465.550 2.468 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)CCS(=O)(=O)c2ccccc2)C1 1842744780 ZCWMQRYWSZDWLL-UHFFFAOYSA-N 478.954 2.432 10 20 JECD CC(C)(C)OC(=O)N1CC=C(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1847726924 XFKUJELCSBBUKF-SFTDATJTSA-N 493.564 2.158 10 20 JECD CN(C)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 15408156 SLXDOWOLYHUDPC-UHFFFAOYSA-N 484.544 2.394 10 20 JECD CCS(=O)(=O)N[C@H](CCSC)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 108283340 CKYXBUCVVGSAIT-IIDMSEBBSA-N 461.625 2.117 10 20 JECD CCS(=O)(=O)N(C)C1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 731360084 VJVPPCRJFRWDAH-IAGOWNOFSA-N 470.611 2.395 10 20 JECD O=C(CN1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1)NCc1ccccc1 916626437 YGMDDXUCANATCB-UHFFFAOYSA-N 467.639 2.383 10 20 JECD COCCCn1c(-c2cc(O)c(O)c(OC)c2)nc2c1c(O)nc(=O)n2Cc1ccccc1 916856911 SPNBOMKTVAGVOI-UHFFFAOYSA-N 452.467 2.470 10 20 JECD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918298074 XJHPPWQDEXTZPE-SFHVURJKSA-N 455.511 2.249 10 20 JECD COc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OCC(=O)NC1CC1 918305958 PUIHXYAILLWQDA-UHFFFAOYSA-N 454.527 2.016 10 20 JECD O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 918705456 BDKQORNTJMYFNV-UHFFFAOYSA-N 465.959 2.450 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cccc(I)c3N)nc12 920705199 BDRSUGAVNISAML-UHFFFAOYSA-N 482.234 2.155 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cn3c(Cl)cccc3n1)C2)c1cc(O)nc(O)c1 1777847826 BMVFADITJGPMBN-WAIKUNEKSA-N 485.928 2.235 10 20 JECD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)cc2c[nH]nc12 1781249550 DUQPSMNJZSDAHC-HOYKHHGWSA-N 465.510 2.119 10 20 JECD C[C@@H](Sc1cccs1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787293921 WRVBNPYMOCKEKD-VRKREXBASA-N 463.581 2.328 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1cccc2c1OCC2 1787814980 HJWIHNBRBYUGIJ-HARLFGEKSA-N 488.544 2.008 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnc4ccccc43)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790246294 UJAGMHSYDFGOQP-HTZUNMPGSA-N 484.940 2.394 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C)CC1)C2 1796307990 WMAVQQMCGPEYIE-KOUHRCEDSA-N 486.613 2.094 10 20 JECD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccccc1 1796482687 OSSNMJNQFVVNMQ-ZLWLXJDCSA-N 460.534 2.173 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cccc(-c2ccccc2)n1 1796535804 VOMWVPUBAQIFDX-FEJSZKPUSA-N 460.490 2.072 10 20 JECD COCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1798418225 FJIHDLLEFLHZIW-FCGDIQPGSA-N 491.585 2.208 10 20 JECD CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cc1 1799770139 JEYZQYUPAVWGDB-CWPLJXCYSA-N 473.913 2.227 10 20 JECD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1802247087 CIFMPCYJZVAIPR-GWUXWGSGSA-N 470.522 2.210 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccnnc1 1805495325 SHVBAYAGYZZRPC-NWWLCNQNSA-N 461.478 2.021 10 20 JECD COc1ncc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1C 1806097906 CTYGSFULWQFVTC-KKSFZXQISA-N 463.494 2.233 10 20 JECD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1808911511 UTGQMVDVJALSSG-KDOFPFPSSA-N 475.621 2.026 10 20 JECD Cc1ccn2ncc(C(=O)N3CCCC4(CCN(C(=O)CN5C(=O)CSC5=S)CC4)C3)c2c1 1810741843 BSZOYQWBVKVGEO-UHFFFAOYSA-N 485.635 2.348 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccn(C(F)F)n1 1810908837 OQTUVPBQTIIAQK-ACJLOTCBSA-N 458.425 2.113 10 20 JECD C[C@H](Cc1ccccn1)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1813288216 JHPCKZZLODETMZ-TVTNDZMWSA-N 497.646 2.222 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cccn3cn1)CC2)c1cc(O)nc(O)c1 1816725763 PAYSZVVZOMCTKE-GFCCVEGCSA-N 450.480 2.137 10 20 JECD Cn1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c2cccnc21 1816726221 RWTMXCDOCCLEQW-GFCCVEGCSA-N 464.507 2.376 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)c3cnn4ccncc34)sc2C1 1818508692 GNXNCWWZMJCKPO-ZABGRMTBSA-N 492.517 2.242 10 20 JECD O=C(CN1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715240 RKMVGXRLBKDYKL-QHCPKHFHSA-N 465.598 2.495 10 20 JECD C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828250005 MSGZZCLVSICJCP-NWDGAFQWSA-N 478.621 2.387 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@@]2(C1)CN(C(=O)C1CCC1)CCN2C(=O)OCc1ccccc1 1828771351 PHLUFRLAWIWMJB-AREMUKBSSA-N 494.548 2.359 10 20 JECD COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1835032460 UEZZPIMOVMIHRP-DEOSSOPVSA-N 490.940 2.073 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)Cc2ccc(Br)nc2)C1 1844990516 NBSSYNVPSHDFRT-QPJJXVBHSA-N 488.338 2.420 10 20 JECD O=C(c1c[nH]c2cc(Cl)ccc12)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054020 DKCADPAKLKXHHQ-UHFFFAOYSA-N 462.984 2.499 10 20 JECD C[C@@H](OC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 105001740 DPRVTCKJIAXMJK-KGLIPLIRSA-N 455.488 2.157 10 20 JECD COC(=O)c1ccc(COc2ccc(/C=C3\SC(=S)N(CC(N)=O)C3=O)cc2OC)o1 727175909 HUPJQOOUSKRKQJ-PXNMLYILSA-N 462.505 2.340 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(Br)c1 727228085 RAXQSNMITMAHJL-OAHLLOKOSA-N 489.370 2.414 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)c1 729064033 ODKLYEXRXIJEMA-OAHLLOKOSA-N 488.566 2.468 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(I)c1 916676214 CFOYAGZANCPDLR-UHFFFAOYSA-N 470.332 2.456 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CN3C(=O)COc4ccc(Cl)cc43)cc2)C1 917834954 VFFBTPGNTQVOKG-INIZCTEOSA-N 456.930 2.084 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)cc2F)C[C@H](C)O1 917919298 ZCOGEYNBISITFP-GJZGRUSLSA-N 456.561 2.321 10 20 JECD COc1ccc(OC)c(CN2CCN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)c1 918117090 GMLOQWMADRWVLB-OAQYLSRUSA-N 495.624 2.433 10 20 JECD CC(=O)NCC(=O)NCC(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 919506708 GJPFOLQELKROPC-UHFFFAOYSA-N 454.310 2.379 10 20 JECD COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCOCC1 920879940 ZKQQOOIMJFMBKW-SFHVURJKSA-N 489.594 2.044 10 20 JECD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1)c1ccc(O)cc1 1777852064 ADLCITLLLNUXQW-ZCLJVBCSSA-N 455.511 2.130 10 20 JECD Cc1ccnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1 1778127767 LUOFNIDJUCAEQE-ATIYNZHBSA-N 475.549 2.310 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(O)n1)C2)c1cc(O)c(O)c(Cl)c1 1781121105 DLDRDQSXOZRRRX-VGOFRKELSA-N 461.902 2.293 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3onc4ccccc34)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540382 XGGWKCZCHQMDGP-BPXKWBHBSA-N 487.516 2.214 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)C(=O)c1ccco1 1804331802 LHTNUILPBRHNHN-VACSHPSYSA-N 477.473 2.394 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1n[nH]c(C2CC2)c1F 1805123421 BZGSYPKSQHOBBA-SPLOXXLWSA-N 466.473 2.261 10 20 JECD Cc1cnn(CC(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)c1 1807672914 CJNXEWJTOSQCDG-JSBPENQTSA-N 477.521 2.123 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)[C@H]1CCCO1 1807701091 LTYOJLUZFBZYAQ-JWLBMOEXSA-N 453.495 2.097 10 20 JECD O=C(CN1CCSCC1)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1814416561 PPOGWFZBFUFEQC-UABRLCRWSA-N 487.582 2.281 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)CCc3cncnc3)sc2C1 1815541269 LPFJFGYMCYATHB-WEJQMCOXSA-N 481.534 2.308 10 20 JECD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1)n1cnnn1 1821295208 IHVGIFVBHRFCJY-HZMBPMFUSA-N 460.882 2.028 10 20 JECD COC(=O)C1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)CC1 1821997614 JCCPOAZJMNWHQC-SFHVURJKSA-N 478.509 2.148 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2NC(=O)C3)[nH]n1 1823499346 AEQLVEYVGVVPFE-HNNXBMFYSA-N 498.590 2.071 10 20 JECD Cc1ccc(C(=O)NCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cc1 1823510299 LCABOLUWXYGOSG-GOSISDBHSA-N 478.509 2.260 10 20 JECD Cc1cccc(CCC(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)n1 1828239701 CORBBWGHJHCMKR-CQSZACIVSA-N 489.648 2.252 10 20 JECD CN1CCN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1828444503 RWQFAPMJABZICL-HXUWFJFHSA-N 479.021 2.232 10 20 JECD CC(C)O[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835132685 DIWQPSPVPCYJTM-IBGZPJMESA-N 483.613 2.164 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)c3ncon3)CC2)CC1 1838507940 VXUSLQSDMVMKQZ-UHFFFAOYSA-N 450.879 2.060 10 20 JECD Cc1ccc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(O)nc(O)c5)C4)C3)sc2c1 1839580246 OXBLZQGCCZTUCP-XMMPIXPASA-N 483.546 2.400 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C1 1841401058 QFUOQGYWFXYEAK-KBPBESRZSA-N 465.547 2.132 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)C1 1842264978 RUUBJCDPEJMAJR-UHFFFAOYSA-N 472.567 2.498 10 20 JECD O=C(c1csc(-n2ncc3ccccc32)n1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249325 YFGCMYSONHTGBM-UHFFFAOYSA-N 476.518 2.419 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 750353314 MOLYXSPYQRRRHU-UHFFFAOYSA-N 472.908 2.276 10 20 JECD COc1cccc(Cn2c(=CC(=O)C3CC3)sc(=Cc3ccc(N4CCOCC4)cc3)c2=O)c1 914579871 KHTWMOXOBLPEFK-UHFFFAOYSA-N 476.598 2.392 10 20 JECD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)C2=O 917832081 IPCJTPQXQVVVDN-AZZGJVAJSA-N 483.613 2.141 10 20 JECD COCCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1C 917837668 ZKGSTQDNQCLWPR-GOSISDBHSA-N 456.543 2.066 10 20 JECD CCC(CC)[C@H](CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)N1CCOCC1 918005832 KGNGYYXHRHULLV-GMAHTHKFSA-N 459.635 2.325 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CC2)cc1 918194010 INKRIIHEZNQWHG-UHFFFAOYSA-N 452.508 2.233 10 20 JECD COc1cc(CCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc(OC)c1OC 918335009 JUHXFBXGJYWISS-UHFFFAOYSA-N 462.568 2.196 10 20 JECD CCN1CCN(Cc2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2)CC1 918442382 FGVNOGBHFKHGID-UHFFFAOYSA-N 493.652 2.288 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(NC(N)=O)cc3)cc2F)C[C@H](C)O1 918959161 DHIOZRBLYOJBFI-GJZGRUSLSA-N 458.490 2.403 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(=O)n(-c4ccccc4)n3)cc2F)C[C@H](C)O1 919077171 CUIWIJKUYZNEER-ROUUACIJSA-N 494.523 2.458 10 20 JECD Cc1oc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1S(=O)(=O)N1CCCC1 919284223 LNKMUQJNRFPQGL-UHFFFAOYSA-N 463.556 2.254 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 919790687 XWFCUXQIDIEDOW-UHFFFAOYSA-N 480.537 2.018 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cc(C(F)(F)F)ccc3=O)cc2F)C[C@@H](C)O1 1251193499 KNOKXTHFJOPCBW-GASCZTMLSA-N 499.461 2.479 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1780055749 GLNFIGRELUEPLE-QHCPKHFHSA-N 483.912 2.294 10 20 JECD O=C(CC12CCCN1CCC2)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1780667085 XSJBBSVYDUIYIZ-YRHVXKOMSA-N 499.608 2.349 10 20 JECD COc1ccc(C2(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)nc(O)c5)CCO4)C3)CCC2)cc1 1781208400 GDZOBVHZHDQDRT-XMMPIXPASA-N 467.522 2.067 10 20 JECD Cc1noc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)n1 1781753767 MBSYVVCUNLKIIK-VWLOTQADSA-N 463.538 2.472 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cc(-n2ccnc2)ccn1 1789372959 OOLJCJKSMCPSBI-LFRPXUGBSA-N 497.939 2.239 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccnnc4O)C[C@@H]32)cc1 1790126071 PBUFOONTKOMCQW-VJBMBRPKSA-N 475.549 2.497 10 20 JECD Cc1ccc(OCCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1792709399 MWXZYEGCFZPZRD-ZJZZYZHZSA-N 490.560 2.146 10 20 JECD CC(=O)Nc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)ccn1 1804285941 LSLMOZSVHPFAIC-ZXRXUGKRSA-N 466.494 2.122 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1ccc([N+](=O)[O-])c2c1OCO2 1804288849 MERNGHAKXCEIPE-ZZPBQLPOSA-N 497.460 2.406 10 20 JECD Nc1ncc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)s1 1807271938 HEQTXBIXGGNTLX-HRAATJIYSA-N 489.561 2.233 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(C(F)F)no1 1807722352 ZJUOSWWZGAIMHY-SGTLLEGYSA-N 459.409 2.447 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3n[nH]cc3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993358 ILTAZROQHZIXEX-AOMKIAJQSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnc(-c3ccccn3)nc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993939 RDWKPNDGZPEODZ-UZUQRXQVSA-N 497.515 2.373 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)nn1C(F)F 1807994518 HINDYVDFXYWVCY-KUHUBIRLSA-N 472.452 2.421 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccn3ccnc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995210 FCMHWLMJRQAGJJ-KKSFZXQISA-N 458.478 2.169 10 20 JECD CCn1ccc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n1 1808467950 KIYQPKZIOUDYLX-NTKDMRAZSA-N 485.548 2.411 10 20 JECD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n[nH]1 1808468369 PVNCDWAENZQLOK-UQBPGWFLSA-N 485.548 2.155 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2CCC(O)CC2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470882 ZSTQGASKTOSZGJ-HAMABDSMSA-N 489.576 2.431 10 20 JECD Nc1c(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)sc2nccnc12 1810543850 OXHYSHLUFWCPOW-UHFFFAOYSA-N 468.539 2.238 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc(-n2cccn2)nc1 1810994420 MALLNZYOVFWXOR-SBUREZEXSA-N 485.504 2.102 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccncn2)[C@H]1c1cccnc1 1814163461 CUIMNSITHMFBGA-VYHZTRRPSA-N 461.478 2.021 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(O)nn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818145721 HSUJAOYFQRISSX-GOSISDBHSA-N 474.481 2.004 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cn2ccsc2n1 1819141202 CWPIHVHTEGETGB-ZDUSSCGKSA-N 489.608 2.285 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccnn3c2)[nH]n1 1823499607 PABGVMDEDYSTGU-INIZCTEOSA-N 483.579 2.224 10 20 JECD CN1CCC(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)CC1 1828192314 JEWZKYKOWIGKNF-MIOHMZDASA-N 472.567 2.227 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC(c3ccccc3)=NN2)CC1 1831065978 SALFHDPVKKYOIK-YADHBBJMSA-N 477.565 2.492 10 20 JECD Cc1noc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)n1 1832877493 OFBLSWVYAJKFDW-JHTBKMLMSA-N 470.526 2.370 10 20 JECD Cc1n[nH]c(C)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901886 VLLFFRJVDYOVOS-INIZCTEOSA-N 463.629 2.120 10 20 JECD O=C(c1cccn2cncc12)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902706 RFJAHNLDABFFEG-GOSISDBHSA-N 485.635 2.428 10 20 JECD Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)nc1C 1834024078 HTDOIJZZTDOYHS-UHFFFAOYSA-N 453.543 2.004 10 20 JECD C[C@H](C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)N(C)C(=O)OC(C)(C)C 1845064604 IIDZKUPBAHPFIN-TUPIDYKKSA-N 475.542 2.275 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)C2(F)CC2)C1 1845893532 FBIDORPMGPNJQS-INIZCTEOSA-N 477.533 2.239 10 20 JECD O=C([C@H]1CC(c2ccccc2)=NO1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034294 HISXHFPRHJLIAI-CSNYQSHPSA-N 463.490 2.213 10 20 JECD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847036987 CPOADBWPMPWBDM-XAVKZTDYSA-N 475.542 2.323 10 20 JECD CC(C)N(C)S(=O)(=O)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 729913970 LECIWWRGPFVICW-JYRVWZFOSA-N 492.442 2.352 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 915417576 FLQVFTUESMWQKC-UHFFFAOYSA-N 451.545 2.238 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OCCC(=O)OC)cc2)cc1C 917757995 FTGGZDDXRSBCDE-UHFFFAOYSA-N 456.542 2.499 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cn2)CCO1 918204920 CKUPYXJJPLQXKT-QGZVFWFLSA-N 457.550 2.406 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)N3CCC(C(=O)N4CCN(C)CC4)CC3)cc2F)C[C@H](C)O1 918219427 BOFZQRUJHMPICD-OALUTQOASA-N 475.609 2.135 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cccc(Cn2cccnc2=O)c1 918439794 OCEHPRRASLQJFI-UHFFFAOYSA-N 463.563 2.100 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 919831849 DWZRDFYFTNHWDK-UHFFFAOYSA-N 451.932 2.405 10 20 JECD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 920023113 CXJXBODLDBWXLC-JLAMGPFISA-N 480.540 2.082 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1779362042 MCIXYTVSXAFMPZ-NRFANRHFSA-N 483.855 2.065 10 20 JECD Cc1onc(-c2ccncn2)c1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1780048948 BTCCWOWGWWJBTF-QHCPKHFHSA-N 499.911 2.262 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007882 ZRRWTPQOWSITNA-PEBXRYMYSA-N 460.918 2.090 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCC(=O)NC4)[C@H]3C2)cc1 1783631740 VYDUXHXXWHZSLU-WMIMKTLMSA-N 478.593 2.214 10 20 JECD CC(C)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)no1 1786225252 HEEIAGPDQLHALV-ZJBJCVSYSA-N 479.537 2.184 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)c(F)c(Cl)c3)C[C@@H]21)c1cc(O)nc(O)c1 1787294652 YPTZWRRIAPZDDQ-NKFCBESUSA-N 467.856 2.332 10 20 JECD CCCC(=O)N[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1789634818 OMBMFWOGKIQQCL-CQSZACIVSA-N 476.624 2.286 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-n4ccnc4)ccn3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790244170 RQLMBJDULUZTRI-LFRPXUGBSA-N 497.939 2.239 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)cc1Cl 1792012643 QFKBJRUCUJRKNK-YEWWUXTCSA-N 461.902 2.062 10 20 JECD CCC[C@H](NC(=O)c1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1793218010 FHHDMIKWQSTUCW-YRPNKDGESA-N 466.538 2.343 10 20 JECD Cc1cnc(Cl)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c1 1795348156 GAAMFPSJSZJAMS-CLLJXQQHSA-N 452.989 2.156 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccn(C)n2)cc1 1795812143 TWLFQDHXZKQUGL-GQEURGSBSA-N 461.566 2.274 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCCn1cccc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480513 GFJIYSZTOXHHJL-NXKWYNOOSA-N 477.565 2.041 10 20 JECD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c(C)c1 1801911812 SUIRDJLBHGGHAK-CWPLJXCYSA-N 488.924 2.363 10 20 JECD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1802247090 CIFMPCYJZVAIPR-QFKAIBRUSA-N 470.522 2.210 10 20 JECD CCSc1ncccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804334833 XOAQADGUGOZHDZ-BTTYYORXSA-N 464.638 2.306 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cccc(F)c1 1811807639 FFJOQHJPNMVFFH-OXJNMPFZSA-N 472.567 2.401 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)[S@@](=O)c1ccccc1 1812355375 XUBOVLDKEAUCAV-QAECBVOPSA-N 494.573 2.404 10 20 JECD CO[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2)c1ccccc1 1812680163 FWDPYLDROXZGBB-FZKQIMNGSA-N 490.632 2.303 10 20 JECD CCOC(=O)/C=C/C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814163046 WVNCBCLVFAJXQE-BQOMRYTISA-N 481.505 2.037 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc(Cl)cn2)[C@H]1c1cccnc1 1814189739 XHMBIRJISZBTHF-KUHUBIRLSA-N 490.010 2.310 10 20 JECD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1824953193 ICXVGLCSUGLVQL-LBPRGKRZSA-N 487.469 2.465 10 20 JECD O=C(O)c1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)ncn1 1825506579 RYSROPYRKCUSTA-XZXOBPBMSA-N 496.520 2.238 10 20 JECD O=C(Cc1cc(F)ccc1F)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1828005426 YAGACEVKAPTUDR-LBPRGKRZSA-N 496.586 2.436 10 20 JECD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)ccc1O 1828247515 VQAKRFGRYZICQM-GFCCVEGCSA-N 476.605 2.243 10 20 JECD CN[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1)C(=O)O 1830737277 MXLYIABGPGYYHX-DLBZAZTESA-N 467.950 2.047 10 20 JECD Cc1ccncc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1833012431 IDDKFYNTVDUDHF-DEOSSOPVSA-N 489.956 2.157 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1cnccn1 1834123126 CSEUBTBLAAELIM-UHFFFAOYSA-N 459.934 2.040 10 20 JECD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)ccn1 1835132811 QMYRMFGHFSRDAB-UHFFFAOYSA-N 488.592 2.368 10 20 JECD Cc1ncccc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432190 GLYJIMSMOPXYQP-DEOSSOPVSA-N 489.956 2.157 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4o3)C2)C1 1839433610 ZUBYNTFXNKBPGS-HSZRJFAPSA-N 487.896 2.276 10 20 JECD COC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843330862 QILNMLQCYORWCM-YLJYHZDGSA-N 474.602 2.191 10 20 JECD COc1ccc(F)cc1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442955 GERUJSDZDGQYSQ-UHFFFAOYSA-N 450.470 2.444 10 20 JECD C[C@H](C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)N1CSCSC1 1847038255 HGYIGPSBBHQIAD-YVARQFDVSA-N 465.597 2.063 10 20 JECD C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(N2CCOCC2)cc1 109179626 GWSOXLXRDKPVBR-GOSISDBHSA-N 458.584 2.196 10 20 JECD C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(N2CCOCC2)cc1 725828651 KHXUIOQCSFHJIW-MRXNPFEDSA-N 465.597 2.003 10 20 JECD Cc1cc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c(C)n1-c1ccc(F)cc1 726543841 KMWMAAFSEFNFAM-UHFFFAOYSA-N 450.518 2.492 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)cc2F)C[C@@H](C)O1 917710033 LYLCVZHNXCUHCO-COLOXBMXSA-N 496.539 2.285 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)cc2F)C[C@@H](C)O1 918976646 LBBLNFJIKSOMLC-PTLSTEMOSA-N 479.574 2.053 10 20 JECD COCCNC(=O)CN1CCN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CC1 920434942 FGHQLRZGMRBGRV-UHFFFAOYSA-N 477.403 2.377 10 20 JECD C[C@@H](CNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)Cn1cccn1 920450176 RBQMSCGUHXFICW-AWEZNQCLSA-N 459.484 2.364 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NCc2ccc(F)cc2C(F)(F)F)c1 920637808 KFWGXKVXGRWZHS-UHFFFAOYSA-N 464.393 2.395 10 20 JECD CCN1C(=O)C(=CNc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)C(=O)N(CC)C1=S 920978123 YNGSRWSDTQGEFF-UHFFFAOYSA-N 480.612 2.161 10 20 JECD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1)c1cccs1 1784379541 WIXHAHRACJNWBZ-MZNJEOGPSA-N 466.563 2.474 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)n4)C[C@@H]32)cc1 1790126953 YMSOWSXRVMFKBJ-VCOUNFBDSA-N 491.548 2.202 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)C1CC2(CCC2)C1 1791836447 DNVMTKGIFHWRRV-ZEJAEISRSA-N 456.539 2.377 10 20 JECD COc1ccc2[nH]cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=C/c3ccc(O)c(O)c3O)c2c1 1802079907 YXSJKNJEEDFPGQ-PAYHOHGSSA-N 493.516 2.210 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cnn(Cc2ccccc2)c1 1804335824 JTBRXIWVENZXGK-REPLKXPHSA-N 483.619 2.044 10 20 JECD COc1ncccc1CCC(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1807068389 SQGASBHEWGXDIG-UHFFFAOYSA-N 490.651 2.114 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccnc(Cl)c2)[C@@H]1c1cccnc1 1814186448 PGEOLRITYOYCOO-DNVCBOLYSA-N 490.010 2.310 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145779 JRXWPTNWQUVGIY-IBGZPJMESA-N 479.541 2.109 10 20 JECD CN1C(=O)CC[C@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1823053981 GACWPFSMFBUXAE-GWCFXTLKSA-N 464.931 2.054 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCCC2)[nH]n1 1823476747 JOLSHPGXGQLLNW-UGAXZCSASA-N 455.515 2.328 10 20 JECD Cc1nc(C)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)o1 1823500263 YVBOXYFPASZBIK-ZDUSSCGKSA-N 462.557 2.181 10 20 JECD Cn1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)c1=O 1823708354 UYQMMNXEGHNYDI-NSHDSACASA-N 474.926 2.446 10 20 JECD CNc1nsnc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833073327 HCUUBPZPXHRERJ-UHFFFAOYSA-N 495.005 2.143 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccnc(C(F)(F)F)c1 1834057763 LEMRMPHMMQPLQS-UHFFFAOYSA-N 493.486 2.406 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=COCCC3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835133929 MQCPTYILBNJZJU-UHFFFAOYSA-N 479.581 2.045 10 20 JECD O=C(c1cc[n+]([O-])cc1)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838510630 JFLIKGUGXSKDNA-UHFFFAOYSA-N 475.929 2.311 10 20 JECD CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)CCCCC1 1840126103 IQHCVXXVQMRURN-UVXPNCNTSA-N 474.554 2.243 10 20 JECD COc1ccc(OCC(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1841190967 NJNMCHSTEITIBJ-ONNFQVAWSA-N 454.479 2.108 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cc(-c3ccccn3)[nH]n2)C1 1844498492 USOCLRRQZXGFSY-UHFFFAOYSA-N 469.505 2.082 10 20 JECD Cc1cc(C(=O)COC(=O)CCn2c(C)csc2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 17153851 ZTAKZYALUFECAM-UHFFFAOYSA-N 477.564 2.089 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 22873286 FBEFMPMRNABGBG-DEOSSOPVSA-N 454.502 2.088 10 20 JECD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726727075 TUBQNXQTCVCBNP-UHFFFAOYSA-N 490.507 2.479 10 20 JECD Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1C(=O)NC(C)C 731284987 ACPVFTDHWAOWQV-UHFFFAOYSA-N 456.518 2.364 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CSc3nnc(-c4ccco4)o3)CC2)cc1 783212506 ACBXGBQERBFQII-UHFFFAOYSA-N 458.496 2.322 10 20 JECD CCOC(=O)N1CCC(C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 844192215 ITMTZTYHQKYORV-UHFFFAOYSA-N 491.566 2.336 10 20 JECD Cn1cc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1C(N)=O 912980445 FHUSKOUDSXIHCK-UHFFFAOYSA-N 470.479 2.004 10 20 JECD NC(=O)c1ccc(C(F)(F)F)n(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1=O 913611125 BKFZVDRCNDXXRC-UHFFFAOYSA-N 469.375 2.380 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnc(C4CC4)n3CCC(N)=O)cc2F)C[C@@H](C)O1 917207190 ONTHSDXNUPCXOH-GASCZTMLSA-N 490.605 2.192 10 20 JECD Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1C(=O)N1CCCC1 918463953 PVWZYVVYWGXBMM-FQEVSTJZSA-N 491.592 2.188 10 20 JECD O=[N+]([O-])c1ccc(NNC(=S)Nc2ccc3c(c2)CCC3)c(S(=O)(=O)N2CCOCC2)c1 919716357 MUWGSUMBHAOQEF-UHFFFAOYSA-N 477.568 2.418 10 20 JECD O=C(COC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O)NCc1ccc(N2CCOCC2)c(F)c1 920571200 VXOQRIMZUYCPTJ-IBGZPJMESA-N 473.476 2.014 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1781014955 FKMCDKWEOYIALC-WAIKUNEKSA-N 495.960 2.204 10 20 JECD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)cc2c[nH]nc12 1782258758 VXLFLWUKHABBBH-AREMUKBSSA-N 486.532 2.108 10 20 JECD C[C@]1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)CC=CCC1 1782729002 QUSACXHOWWJBSS-URZJWIJPSA-N 465.641 2.107 10 20 JECD CC(C)C1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)CCC1 1782808942 PEYWLTIMPGSIIE-IIBYNOLFSA-N 467.657 2.187 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@H]1c1ccccc1)C2 1783245845 HWKBWMKTLCAYHM-YBJWPOLQSA-N 487.647 2.164 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)CCc1ccccc1)CCO2 1785509538 USMFYBCIJCHBLO-HGJFNOKFSA-N 452.507 2.279 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@@H]1Cc2ccccc2CN1 1787415357 MBMFEEAPUNTDFE-UZSDIVCKSA-N 485.968 2.059 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)Cn3nnc4ccccc43)CCC2)cc1 1792314149 YLYPFNVWXIDUSX-UHFFFAOYSA-N 494.602 2.426 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccc(Cl)cc3)no1)C2)c1cc(O)nc(O)c1 1796138315 URQUYHLCCJJTQN-USGNIVHTSA-N 484.896 2.318 10 20 JECD Cn1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)cn1 1796749147 AKQXLZPDGQMOGJ-CIAFKFPVSA-N 496.612 2.390 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3ccccc31)C2)c1cc(O)c(O)c(Cl)c1 1799767952 FAFHVTHFYRXNSQ-USGNIVHTSA-N 470.913 2.004 10 20 JECD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)nc2ccc(Cl)cn12 1801137615 OKFREGUDIDWBTB-QDMKHBRRSA-N 492.026 2.408 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1cc(=O)cco1 1806125762 AJMMRUDGYZYOOD-UUOWRZLLSA-N 485.500 2.147 10 20 JECD COc1cncc(CCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1807994232 TZRWFAQTXXLPPL-KOSHJBKYSA-N 477.521 2.244 10 20 JECD COC(=O)c1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)s1 1807999253 JZSVULJZDRUBQX-OYHNWAKOSA-N 496.545 2.298 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)C1 1810546558 IVLQWKSBWGZTOU-UHFFFAOYSA-N 462.510 2.437 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc(O)c([N+](=O)[O-])c1 1810708141 WXFHSXDMJJISOK-YCRPNKLZSA-N 479.449 2.135 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cc(Cl)ccn1 1810714156 IINHUPFYAFCXIM-LIRRHRJNSA-N 490.010 2.310 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCN2CCOC2=O)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811807358 YFTCISCTYSZBSO-QRWLVFNGSA-N 488.928 2.308 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCCO1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817356790 CXWVFNPCIMACAB-RDTXWAMCSA-N 467.551 2.417 10 20 JECD CCn1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n1 1817362963 DBPGSWOOXBCMSJ-AWEZNQCLSA-N 477.550 2.378 10 20 JECD O=C(/C=C1\C(=O)Nc2ccccc21)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1819621732 WOFHRAKRWOATSY-GVIGZQTCSA-N 477.502 2.211 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccoc3Cl)sc2C1 1821819464 BUXMTEMAERLFKX-QMMMGPOBSA-N 470.985 2.476 10 20 JECD C[C@@]1(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)CC1(F)F 1835133823 BMXGXMNCHHYTIF-DEOSSOPVSA-N 487.551 2.396 10 20 JECD CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)N(CC)CC 1836925474 QDULKTKEUIOUHQ-FQEVSTJZSA-N 462.591 2.225 10 20 JECD O=C(O)CSCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838687898 MPZSLUSNQBDMME-UHFFFAOYSA-N 486.974 2.181 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(Cl)cccc1Cl)CCO2 1838872493 KLLZHAUASDUUOT-OAQYLSRUSA-N 482.320 2.183 10 20 JECD CC(C)=CCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1839114754 YOXPDCIIJFEZOX-UMESLIDUSA-N 460.527 2.019 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843248853 BOFFDYWRRDBPGM-JKSUJKDBSA-N 460.531 2.003 10 20 JECD O=C(CCc1ccc(C(F)(F)F)cn1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249331 ZEUWVYBILLMMCQ-UHFFFAOYSA-N 450.417 2.356 10 20 JECD O=C(c1ccc2c(c1)OCCO2)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441683 QJNDUOHMLXQJOU-UHFFFAOYSA-N 460.490 2.068 10 20 JECD O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442486 NHLJOSCSPCJIHO-UHFFFAOYSA-N 465.441 2.344 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2ccc(OCCCO)cc2)C1 1844706472 MKMOMFHBWXCVER-UXBLZVDNSA-N 468.506 2.095 10 20 JECD Cc1cc(C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1-c1ccc(C(C)C)cc1 23502427 LTUNKYROKCAJSD-UHFFFAOYSA-N 491.548 2.391 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)cc1 742948042 LOZYIVAHIXMQGR-UHFFFAOYSA-N 468.558 2.257 10 20 JECD CN1CCCc2cc(CNC(=O)CCn3c(=O)oc4cc(S(=O)(=O)N5CCCC5)ccc43)ccc21 746811447 FZTBGHVOSJMFSI-UHFFFAOYSA-N 498.605 2.468 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 918311403 QRADRESSYVSQPV-QFIPXVFZSA-N 466.538 2.238 10 20 JECD CN(C)C(=O)COc1ccccc1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919697445 AJQOVMKIFCRYMB-UHFFFAOYSA-N 492.555 2.339 10 20 JECD C[C@@H](OC(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1248583652 VCZPZPCSCDDACH-OAHLLOKOSA-N 488.500 2.117 10 20 JECD Cc1nc(F)ccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127264 BFZREPNFCYTRNR-QFQXNSOFSA-N 493.539 2.450 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753874 SWUXSQIKRRCPGJ-FNZWTVRRSA-N 464.566 2.228 10 20 JECD O=C1Cc2cccc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)c2N1 1782008951 LOSFPUGLFATKKY-HSZRJFAPSA-N 471.897 2.003 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1 1782168334 RLUDYVYUAAVGIR-XMMPIXPASA-N 497.939 2.398 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1scnc1C1CC1 1785788462 RCAMLSRIBOWTQI-QRFRQXIXSA-N 493.589 2.407 10 20 JECD COc1ccc2oc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)cc2c1 1787292382 WPBUXIUEMPHZMN-ROOHIHILSA-N 467.478 2.155 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc4cccnc4cc3F)C[C@@H]21)c1cc(O)nc(O)c1 1787295490 YVMVILLVGXFZFG-XERREHJYSA-N 480.496 2.016 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1cc(F)cc(F)c1 1789640463 NLAZQMPEXDOYIJ-LVWPNOBMSA-N 482.487 2.351 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)c(Cl)cc1F)C2)c1cc(O)nc(O)c1 1796140602 UYVWDCPAGGCLFK-XGISUXEOSA-N 470.284 2.456 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cnn(-c2cccnc2)c1 1796932565 JTHJVPBCLVBILU-NUZGMZIFSA-N 483.532 2.312 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC(F)(F)C(=O)O)C3)cc1 1799620346 GGUYVSGVXBMONZ-RMFSNUHRSA-N 475.492 2.407 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)ccc(O)c1F)C2)c1cc(O)c(O)c(Cl)c1 1799768227 ODPAPEKXJSWZAF-XGISUXEOSA-N 468.840 2.252 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1onc2ccccc12 1799984403 VEGDOQFVLOWEOU-IVWMJMPLSA-N 457.870 2.409 10 20 JECD O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1802382497 MDTCSLWKTNSKFI-UZUQRXQVSA-N 477.477 2.358 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807993147 DNNBIENZVNFZML-UWUFEASWSA-N 487.560 2.264 10 20 JECD Cc1nccc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1808767577 GZFGBAOMWZQDDU-DPLQINJDSA-N 475.505 2.330 10 20 JECD COc1cccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1811843383 DITYMMYDISJFJP-UTKZUKDTSA-N 484.603 2.270 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CCc2cn[nH]c2)[C@H]1c1cccnc1 1814162961 ZYXMTNPGIMYKFR-CTWZSZLHSA-N 477.521 2.274 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccc(O)nc2)[C@H]1c1cccnc1 1814164272 XFPFWEXHGRBSES-OBPZGGEISA-N 476.489 2.332 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cn1 1814185158 LOKGDJYYXJUDLU-CVDCTZTESA-N 497.646 2.284 10 20 JECD CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)COC1 1814558147 INPMRPDRUHKMKL-GOSISDBHSA-N 450.499 2.231 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)c1ccco1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817358509 YYJGRKCLIPUJSD-RBZFPXEDSA-N 479.518 2.175 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821291742 CEWGXTAZIMHMKJ-IAQYHMDHSA-N 461.906 2.471 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821291906 JMLRBZOUOSVBAC-CQSZACIVSA-N 458.862 2.177 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3[nH]ccc3n2)[nH]n1 1823500144 SDFLQEYOYDTCSM-INIZCTEOSA-N 483.579 2.452 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)n[nH]2)CC1 1827000362 UOBABPBOXDANNK-HXUWFJFHSA-N 464.526 2.142 10 20 JECD O=C(Cn1ccnc1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715390 MUVVIGCJPAAQAZ-JOCHJYFZSA-N 462.554 2.296 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1828877568 DGXFBOSBCRVFOS-ACMHHVSHSA-N 488.585 2.144 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(N2CCC(NC(=O)C34CC(C(F)(F)F)(C3)C4)CC2)CC1 1833546589 CNKAGEODALZDMF-UHFFFAOYSA-N 482.503 2.411 10 20 JECD Cc1ocnc1C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838110435 JHNYWCFSCZXLKZ-UHFFFAOYSA-N 479.537 2.388 10 20 JECD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(O)c1 1840670615 PCHXDXZXHBKFKJ-HSZRJFAPSA-N 476.913 2.149 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4occc4c3)C2)C1 1840880971 WCYSVSUMAIZWOE-MXILHCRZSA-N 494.500 2.333 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 15451823 GKYMTCCXVLGCBF-UHFFFAOYSA-N 471.048 2.432 10 20 JECD Cc1cc(C(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)c(C)n1-c1cccc(Br)c1 18580484 HKXBJIRCJGQHMK-UHFFFAOYSA-N 460.284 2.133 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cn(CC)c4nc(C)ccc4c3=O)nc12 728317899 YNOKQNPUICCTCJ-UHFFFAOYSA-N 451.439 2.007 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnc(C(F)(F)F)n3N)cc2F)C[C@H](C)O1 917171824 UAXOTHAOYZUXTF-QWRGUYRKSA-N 462.473 2.172 10 20 JECD O=C(O)COc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 917912702 XJYZFQFDTPMQAV-UHFFFAOYSA-N 474.457 2.484 10 20 JECD C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)c1ccc(N2CCOCC2)cc1 920882806 ZEEFULNBEHWEEW-UTKZUKDTSA-N 499.589 2.338 10 20 JECD COc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1OCC(N)=O 1318339433 QOIPKKCVAFEZMU-UHFFFAOYSA-N 480.544 2.105 10 20 JECD O=C(CCc1ccccc1F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1782713757 PNHWUNGPHIBEMI-WZONZLPQSA-N 493.626 2.133 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)c1)CCO2 1785508313 BGUOKKHJTLONPB-WYAMSBGYSA-N 459.886 2.009 10 20 JECD COc1c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)ccc(F)c1F 1785510363 XXINTQOKNCNTHH-MLENBVEFSA-N 490.459 2.247 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccc(Cl)cc3[nH]1)CCO2 1785539829 PWJGYLYAMKKPOI-OAQYLSRUSA-N 493.010 2.125 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787541422 NZSMGZKELURSKP-OQZHBAMCSA-N 489.576 2.033 10 20 JECD CC(C)n1cnc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)n1 1788796230 YWZFSLGHWMTZTH-UHFFFAOYSA-N 472.596 2.467 10 20 JECD COc1cc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)ccn1 1790242947 FUQXZVYMULFEOI-KNBMTAEXSA-N 489.956 2.381 10 20 JECD CC(C)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccccn1 1791486076 UBHQVHKWTUWNOX-VCOUNFBDSA-N 489.576 2.132 10 20 JECD C/C(=C\c1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1791606251 SFNBMHYNDBHMCA-NILFKCGTSA-N 487.560 2.258 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)C[C@@H]21 1792239056 JPMNYIKGWWGEIK-FZWBFHRNSA-N 493.695 2.433 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=CCCC1 1795043558 XOQUGSUJINIKSF-IRMYBRCSSA-N 498.624 2.405 10 20 JECD O=C(CCc1ccsc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1795782049 WVMJUUIEFFAJPD-VYKGAVEOSA-N 458.536 2.101 10 20 JECD CN1CCC(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1796932103 MSUBCDWJJXHBLR-NUZGMZIFSA-N 451.571 2.149 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cccc2cc[nH]c12 1797092367 LSWXSGVUQGHWKH-FEJSZKPUSA-N 471.517 2.164 10 20 JECD CC(=O)Nc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)ccc1C 1804335689 DEZDYBSZVJTVFJ-BJWYYQGGSA-N 474.608 2.066 10 20 JECD CCc1ncccc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1804991428 SPWIXEZGECYAIW-IIBYNOLFSA-N 483.619 2.219 10 20 JECD O=C(Cn1ccnc1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1805883814 QTVRXXAUXOWTNM-MGPUTAFESA-N 455.902 2.363 10 20 JECD O=C(CCc1cncnc1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1807499807 KIGBLPFWWMANRM-QFQXNSOFSA-N 497.559 2.303 10 20 JECD COc1cccc(CCC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n1 1807994222 TUEBLIXFCPGHIM-BXKMTCNYSA-N 477.521 2.244 10 20 JECD Cn1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c2cccnc21 1807995925 LCMCGJYURPWALW-ZHRRBRCNSA-N 472.505 2.408 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n[nH]1 1808469475 OVHNXJGLPJNEPY-FDDCHVKYSA-N 471.521 2.226 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1nc2ccccc2[nH]1 1809042529 XEVHIKMTHOMFHB-QVKFZJNVSA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)[C@H]1CCCOC1 1814155934 WJJDLWMAFDJIBS-SKPFHBQLSA-N 475.549 2.307 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)n1cccn1 1814165538 HIOGCSADPFWRBA-SLCYKOLNSA-N 477.521 2.375 10 20 JECD COC(=O)[C@@H]1CC[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)C1 1814860490 ACMOSVYIAMNMBW-IOASZLSFSA-N 457.487 2.111 10 20 JECD COCCCC(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817363997 MDVZUECDZIUAIM-AWEZNQCLSA-N 455.540 2.275 10 20 JECD CC(=O)N[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)C(C)(C)C 1824362463 RQWWXHODPUIFHH-YLJYHZDGSA-N 496.699 2.017 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(OCF)cn2)CC1 1825546758 WKQDYTRTFYYEBG-KRWDZBQOSA-N 459.478 2.136 10 20 JECD O=C([C@@H]1ON=C(c2ccccc2)O1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428277 MODZQWZWUYRBTA-CLOONOSVSA-N 480.521 2.461 10 20 JECD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)n1ccnn1 1831173218 IQRUREBVMDLPLT-PGRDOPGGSA-N 477.569 2.252 10 20 JECD O=C(c1ccc2cncn2c1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901981 HKJYJYXWADGIKD-IBGZPJMESA-N 485.635 2.428 10 20 JECD Cc1ccsc1C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1834113267 FURFZDNMJYTFPD-UHFFFAOYSA-N 480.681 2.102 10 20 JECD N[C@H](C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cccc(Cl)c1 1842940498 GXMPZPMWNYJBIQ-NRFANRHFSA-N 465.941 2.336 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1 729065265 ZUXIRDSFEYGVLG-OWCLPIDISA-N 491.566 2.015 10 20 JECD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 747124192 KXMAUGHNYIVPEY-UHFFFAOYSA-N 468.493 2.062 10 20 JECD CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)c1 915422793 LIJQCMOHTVFIQW-UHFFFAOYSA-N 473.507 2.157 10 20 JECD Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 916676574 APWAGDKUBHEQHS-UHFFFAOYSA-N 466.563 2.223 10 20 JECD CC(C)CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 918372077 KKSRKNBGVOKJHP-FQEVSTJZSA-N 472.611 2.253 10 20 JECD O=C(COC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)NCc1ccc(N2CCOCC2)c(F)c1 918935252 PHISFWFSSYXOPC-QGZVFWFLSA-N 459.449 2.087 10 20 JECD COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1 1317829664 OARPEOVKLZNXNI-UHFFFAOYSA-N 485.606 2.195 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n2)cc1 1318240378 HVHVMXDLVNRMAZ-UHFFFAOYSA-N 470.532 2.473 10 20 JECD CC[S@](=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1779223236 CVLMINYVVANMRQ-CMUXQDGESA-N 472.991 2.037 10 20 JECD C[C@]1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)CCCN1 1780673746 PCINSRZBZNRCOS-ZPMCFJSWSA-N 451.951 2.021 10 20 JECD Cc1cc(C)n(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)n1 1781119337 GSMNLRZYLMDMCO-AUSIDOKSSA-N 476.961 2.392 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC=CO1)C2 1783222044 FUOMIBIIYCYYLB-NXVMYOCNSA-N 458.511 2.023 10 20 JECD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1)n1cccc1 1783222618 FFWAMPILFLESQZ-XTZQLVCWSA-N 469.538 2.393 10 20 JECD Cc1occc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1805621250 KJNHTPRCYCQHOV-BEFAXECRSA-N 458.565 2.163 10 20 JECD CC(C)(C)n1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cn1 1807989518 BJHQDAFRYNPYKR-IIBYNOLFSA-N 464.526 2.473 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n(C(F)F)n1 1807994500 HFIFHQXYSBFMIW-IFXJQAMLSA-N 472.452 2.421 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3ccnc(Cl)c3)C2)CC1 1808359462 RKYYZCIZJIRTDY-UHFFFAOYSA-N 467.016 2.440 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)[C@H]1c1cccnc1 1814186268 ZFHUUFOKZALFDA-YWZLYKJASA-N 485.591 2.127 10 20 JECD CCOc1ncccc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816716546 FTOUJWPLZJBHFX-LBPRGKRZSA-N 455.496 2.283 10 20 JECD Cn1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1C(F)(F)F 1816720910 CNJJCMMCYATMCX-VIFPVBQESA-N 482.444 2.241 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3c(F)ccc(O)c3F)sc2C1 1823640216 JBOPXVGLVJJVHD-MRVPVSSYSA-N 498.558 2.213 10 20 JECD CC(C)N1CCC(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)CC1 1828239743 GJYULJWZKARWEA-CQSZACIVSA-N 495.696 2.036 10 20 JECD Cn1ccc(=O)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1829641613 WHTIOFLSSFZXFP-QHCPKHFHSA-N 489.576 2.412 10 20 JECD Cc1nc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)c(=O)[nH]c1C 1832877204 XYRPLOWNFATCHC-QRBZPYHOSA-N 496.564 2.450 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899133 AHGORVMLFVRNQX-AEFFLSMTSA-N 490.651 2.329 10 20 JECD Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)ccn1 1832902016 WTPNDUMTPMHYII-GOSISDBHSA-N 460.625 2.484 10 20 JECD COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1834857756 SDMPFPRTRRVMIC-SANMLTNESA-N 483.565 2.117 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CCCc3cccnc3)CC2)CC1)c1cc(O)nc(O)c1 1834988496 YXHXHPYNINNIGA-UHFFFAOYSA-N 467.570 2.096 10 20 JECD CC(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)on1 1838779096 PNHMFQHBAOHITE-QFIPXVFZSA-N 479.917 2.246 10 20 JECD N[C@H](C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccc(Cl)c1 1842941927 LBTBNKWSABNSLI-FNQPIQQGSA-N 457.914 2.373 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1C(=O)O 728015416 QLHBHUOCGIPJBZ-UHFFFAOYSA-N 468.431 2.498 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)c3ccnn3C)c2C)c1 743224813 GFJDAUGIQKWLIR-UHFFFAOYSA-N 453.451 2.441 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)CC2)cc1 749564175 VMPNQHHYWLAADK-HSZRJFAPSA-N 494.592 2.357 10 20 JECD COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(Br)c3)CC2)cc1 872054569 YXIWVWSRYCTVHP-UHFFFAOYSA-N 468.373 2.085 10 20 JECD CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 916145238 LQRPCVMNJQZXTB-UHFFFAOYSA-N 467.570 2.263 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(CN2C(=O)CNC2=O)c1 916688075 NSHGJGNVHPPFMO-UHFFFAOYSA-N 455.490 2.160 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(-n4nc(C)cc4C)nc3)CC2)cc1 918251093 YEVWEKJJQXYWHK-UHFFFAOYSA-N 491.596 2.160 10 20 JECD Cc1cccc(-n2c(C)cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)c2C)c1 918568473 MLCDBWIVEIUVSM-UHFFFAOYSA-N 470.551 2.241 10 20 JECD C[C@@H]1CN(c2ccccc2NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@@H](C)O1 919662024 DYCWVQNFIWKLQO-SFHLNBCPSA-N 493.608 2.257 10 20 JECD COc1cc2ncn(CCCC(=O)NCc3ccc(N4CCOCC4)cc3)c(=O)c2cc1OC 919767470 KRXUQINKGXDOSS-UHFFFAOYSA-N 466.538 2.347 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H]1C1CC1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126520 AZBGWSNBLKRAOR-JKYVINEHSA-N 464.566 2.339 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3ccoc3Cl)C2)C1 1780453664 GQFLAJFJOSYNNS-QFIPXVFZSA-N 456.886 2.169 10 20 JECD COC(=O)Nc1cccc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1781446585 FJJPTJACKKUECE-VQEXNLMWSA-N 497.504 2.139 10 20 JECD Cc1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c(C)s1 1785409450 HHAXGIFPLGBGLH-JLMWRMLUSA-N 495.605 2.075 10 20 JECD Cc1nscc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1785800343 LWDKQVOQIRZPCD-BNLOLNQZSA-N 451.932 2.423 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccc3C(F)(F)F)C[C@@H]21)c1cc(O)nc(O)c1 1787292087 TZDGSAPCNWAZSL-ZVZYQTTQSA-N 479.455 2.348 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4CC(O)C4)C[C@@H]32)cc1 1790124219 DTSBKHXLBFJBDQ-YXMIKYPGSA-N 451.567 2.458 10 20 JECD Cc1ccn2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C[C@@H]43)cnc2c1 1790492294 YNROTKHGRFBCPH-QINRJMKKSA-N 492.532 2.066 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-n2ccnc2)ccn1)C1=NN(c2ccccc2)C(=O)C1 1799459481 QUXHOGKPSCLIGF-ZHPFXUNLSA-N 483.532 2.312 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c(C)o1 1805565627 MQXWMXUAYHHQAR-OXJNMPFZSA-N 472.592 2.471 10 20 JECD COCCOCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1806757989 FCBWJDUXSJDFGL-YWZLYKJASA-N 463.918 2.129 10 20 JECD Nc1c(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)sc2nccnc12 1807992892 DQHWBMNWFRWMRD-YJYMSZOUSA-N 491.533 2.108 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(CO)c(F)c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999724 FGPPXMGSHLMXOO-AOMKIAJQSA-N 466.469 2.153 10 20 JECD C[C@H](Nc1nccs1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1808384787 VPKXKBWILZEQJQ-ZBQZNYHESA-N 468.539 2.165 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc(CO)c(F)c1 1813994970 LWBJUXLBAAXQBO-ZHRRBRCNSA-N 466.469 2.153 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CC(c3ccccc3)=NO1)CC2)c1cc(O)nc(O)c1 1816720547 XUNZISUISVURPR-RHSMWYFYSA-N 479.518 2.368 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722313 XPPMFDCUFSLCJP-AEFFLSMTSA-N 479.562 2.232 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C1CCC(O)CC1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817367223 STWXIGTYVKNYKN-ISXOHVOVSA-N 481.578 2.399 10 20 JECD COCCn1nccc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1817595002 UPOMNKDMQBSBOK-RRFAQUSLSA-N 499.549 2.042 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccn2cncc2c1 1819161575 GONMTKBJNIRRNT-INIZCTEOSA-N 483.579 2.224 10 20 JECD Cn1ccc(=O)cc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1821313593 GHFDTSHUZXRVQT-NSHDSACASA-N 474.926 2.446 10 20 JECD CSCC[C@@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1822431976 AJCKJFXMHBSTRQ-RTBURBONSA-N 484.582 2.309 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(O)nc2O)CC1 1827590241 IJFPLVXJKBCGAJ-INIZCTEOSA-N 476.917 2.500 10 20 JECD C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828250006 MSGZZCLVSICJCP-RYUDHWBXSA-N 478.621 2.387 10 20 JECD COc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)n(C)n1 1837277035 RNNTWHSUEIFPFJ-UHFFFAOYSA-N 492.960 2.419 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)n(C)n1 1837465436 KAVMGHYLHNASLE-GQCTYLIASA-N 484.553 2.171 10 20 JECD O=C(CCc1ccoc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433442 VHPWLBHMEQIDOD-JOCHJYFZSA-N 464.902 2.047 10 20 JECD CCOc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OCC 751368583 LQUGMCGZELBGAB-SFHVURJKSA-N 491.610 2.476 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccccc1CN1C(=O)CNC1=O 916688783 GUYBAIPRYHDLEM-UHFFFAOYSA-N 451.527 2.269 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cc(Br)cn3)cc2F)C[C@H](C)O1 917316774 WWDLYMUDXROJFQ-KBPBESRZSA-N 483.338 2.258 10 20 JECD CCOc1ccc(N2C[C@H](C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2=O)cc1 917831830 AYMLZVJVVCVTRJ-VQTJNVASSA-N 464.566 2.456 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(Br)c(C(=O)O)c3)cc2)C1 917929955 KQZNKYHEBUFIRT-CQSZACIVSA-N 496.383 2.328 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(-n4nccn4)cc3)cc2F)C[C@H](C)O1 918287343 PZZABIRNIXTIIG-HOTGVXAUSA-N 452.490 2.275 10 20 JECD CCNC(=O)COc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 918294842 KQPAECFCLSRFJJ-HXUWFJFHSA-N 455.511 2.053 10 20 JECD O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccc(N2CCOCC2)c(F)c1 918871235 QDBMSBJZHBCBTE-UHFFFAOYSA-N 455.486 2.262 10 20 JECD C[C@H]1CN(c2ccccc2NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@@H](C)O1 919662026 DYCWVQNFIWKLQO-ZVDOUQERSA-N 493.608 2.257 10 20 JECD COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)OC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 920638282 SVTHELPRTFNFSO-STQMWFEESA-N 466.512 2.204 10 20 JECD C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)c1ccc(N2CCOCC2)cc1 920890251 RJAXINONZJLHQL-XMSQKQJNSA-N 473.595 2.472 10 20 JECD Cn1cc(F)cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1778372184 YGFLZFLECVVMEG-PXDATVDWSA-N 481.528 2.085 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008669 FXGDMRLBWNHRMT-WNSKOXEYSA-N 459.930 2.469 10 20 JECD COc1cscc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787539673 OOPNPZFPMZACHP-KNBMTAEXSA-N 482.562 2.143 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccsc3)C[C@@H]21 1792219257 NLAHXQXKWQWSHX-VXOMVHHBSA-N 458.536 2.101 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)[C@H](O)c3ccco3)CCC2)cc1 1792314805 YQFLTXWWNHKSGK-GOSISDBHSA-N 459.549 2.307 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@H]1CCCCC1(F)F 1793481251 QTSSEDADDZNIIQ-VWFIUDSGSA-N 474.508 2.194 10 20 JECD Cc1cn2c(=O)c(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)/C=C/c3ccc(O)c(O)c3O)C4)cnc2s1 1797606173 TUSVKJOJXWFDDA-NCSLWMNCSA-N 496.545 2.146 10 20 JECD COc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1 1801719069 MUOJJJLXAOIBMX-DBWKPXFBSA-N 464.877 2.416 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)[C@H]1CCC(F)(F)C1 1802406280 NOENTBPKNMYUAU-YEWWUXTCSA-N 482.578 2.383 10 20 JECD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)on1 1804260003 CEOWHPOZSMUWGI-QLFHSEGHSA-N 478.505 2.457 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992621 PHSFDHBEQANIHQ-UZUQRXQVSA-N 477.477 2.358 10 20 JECD COc1ccc(CCC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cn1 1807993693 MATANQJONBTIKZ-UUOWRZLLSA-N 477.521 2.244 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470756 YAEOOYLOTVXWQL-XRLJSCNCSA-N 483.532 2.317 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2[nH]ccc2n1 1809796623 GOQKCRZODNRQPB-OYHNWAKOSA-N 458.478 2.398 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)cc1 1814809441 VDOKNNNFWXURRY-HKUYNNGSSA-N 494.621 2.369 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc(O)cc1F 1821112192 KEJFKHVJBJEHNR-HNNXBMFYSA-N 477.543 2.421 10 20 JECD Cc1cnn([C@@H](C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c1 1823500968 KWJRRDMJWYOYMJ-DZGCQCFKSA-N 475.600 2.028 10 20 JECD Cc1nccn1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1824713924 GVQMZUBHASRQSI-UFZAZABTSA-N 469.523 2.090 10 20 JECD COc1ccccc1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1825417381 CALZXTKQIILKKC-CQSZACIVSA-N 454.508 2.426 10 20 JECD C[C@H](Cc1ccco1)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828250004 MSGZZCLVSICJCP-NEPJUHHUSA-N 478.621 2.387 10 20 JECD O=C1NC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)CC2)O1 1830738547 UAXPCFFQHWRUGC-RDJZCZTQSA-N 451.907 2.093 10 20 JECD CCNC(=O)N[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876267 GUTALCTYNIFHQD-GRWKNNQQSA-N 488.585 2.144 10 20 JECD COCc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1 1832900953 MEVNHLWFGQWDGL-GOSISDBHSA-N 478.640 2.255 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902172 ZJVQCWCAWKKOBQ-WMZOPIPTSA-N 489.667 2.362 10 20 JECD Cc1nscc1C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1834044491 LBBSBCHQSDAXIE-HWKANZROSA-N 486.594 2.467 10 20 JECD COc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc(Cl)n1 1836017268 MYFKQLREMZISTH-UHFFFAOYSA-N 489.960 2.049 10 20 JECD C[C@@H](Cc1ccco1)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838811961 WCFYKPQTKAYQLL-INIZCTEOSA-N 493.651 2.317 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC=CCC3)C2)C1 1839432692 XAKMANYEBMXBCC-QRQCRPRQSA-N 450.919 2.178 10 20 JECD O=C(Cc1ccsc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433736 AUAJBEUFIAXPJO-NRFANRHFSA-N 466.943 2.125 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)C1CC1)C2 1844251505 DEHZNOFTYBWPDN-QGZVFWFLSA-N 459.543 2.147 10 20 JECD O=C(NCc1nnc(S)n1C1CC1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 731229819 CDTVTJCRAWTQSL-UHFFFAOYSA-N 490.523 2.246 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)cc1F 747010442 DPGNMHXXBVBOHW-UHFFFAOYSA-N 489.573 2.397 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 749266655 XNDFLGLKYNUCOC-LJQANCHMSA-N 467.588 2.318 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@H](CC(C)C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)cc1 784496873 YGXSGFWBSDAUBD-ZLNRFVROSA-N 497.592 2.253 10 20 JECD C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 916624563 GPFMBBNVAFGWIQ-HXUWFJFHSA-N 459.660 2.468 10 20 JECD COc1ccccc1N1C[C@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1=O 917831826 AWKJIASWFGTFKK-RBUKOAKNSA-N 450.539 2.066 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2)C1 918122550 MPXJJZQYKYBNMR-HXUWFJFHSA-N 483.588 2.488 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NCCOc2ccc(C(F)(F)F)cc2)c1 920637789 IRPDGXNREABIOX-UHFFFAOYSA-N 476.429 2.135 10 20 JECD C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(N2CCOCC2)cc1 920879130 HTGNTJJBPJJOTO-GOSISDBHSA-N 459.568 2.035 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)C1 1780289268 CVVROUXRGAGYJD-QGVYAHRCSA-N 490.516 2.350 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3nc4ccccc4o3)C2)C1 1782233295 LJHLBTFSEZLDPO-VWLOTQADSA-N 473.489 2.064 10 20 JECD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccccn1 1782637030 HEAOGZRHHQRAJR-AUZMWRNASA-N 489.576 2.492 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc2c(c1)CCCO2 1782885311 PNNDMBQZTBVZSQ-CJFMBICVSA-N 467.522 2.259 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)C1Cc2ccccc2C1 1783321668 YBPAGZVBVVYKGV-CJFMBICVSA-N 451.523 2.035 10 20 JECD COc1ccc(COCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1784100541 XAJRHFUXOQDTCV-XMMPIXPASA-N 490.940 2.420 10 20 JECD Cc1ccc(C)c(OCC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785503289 GTTVWXHAOGLYRO-WHVGEVHXSA-N 482.533 2.342 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccn(-c3ccccc3)n1)CCO2 1785506988 HXERIKINUONYLY-TTZARTBGSA-N 490.516 2.146 10 20 JECD COc1ccc(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1 1790141103 HHCXDCRXONRDDT-UCADUOSCSA-N 482.533 2.427 10 20 JECD O=C(COc1ccc(F)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1795198484 YALDWJUBLRKVCW-VTEUUUEMSA-N 464.877 2.173 10 20 JECD CC(C)(C)OC(=O)N1CC(C)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796600856 JYPHBSGGNOGNEK-MUJYYYPQSA-N 460.531 2.002 10 20 JECD Cc1oncc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1805800664 NXMAVYOSGKCWEU-WZONZLPQSA-N 472.505 2.491 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1ccc(=O)oc1 1806116859 HSVFKYWHYRUIMX-HOYKHHGWSA-N 485.500 2.147 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807999696 MVNSOHGIPMLVFU-OYHNWAKOSA-N 493.476 2.443 10 20 JECD C[C@@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)O1 1808468780 XMHZRFATJPXLSI-PDKZGUECSA-N 475.549 2.448 10 20 JECD N=C(N)SCCC(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811803495 JUVTWHPWEBFGHI-FZKQIMNGSA-N 477.974 2.483 10 20 JECD Cc1nccn1CC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1812404693 PIVMHPFYTVYMQC-NLFFAJNJSA-N 485.548 2.085 10 20 JECD C[C@]1(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)CCCN1 1814166637 RQQONKYCPJDYQI-RRYMHUEMSA-N 466.538 2.060 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)n[nH]1 1814190367 YNLRHIDCZXFECD-FOIQADDNSA-N 486.623 2.108 10 20 JECD COc1cnc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)c(F)c1 1816210753 NOKMEVSXRUTSND-OAHLLOKOSA-N 456.434 2.378 10 20 JECD C[C@H](Cn1cccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364019 MIOZVBCNJXQZFG-HZPDHXFCSA-N 491.577 2.381 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ncccn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146702 XXXNSEHMXGSCQI-SFHVURJKSA-N 458.482 2.299 10 20 JECD O=C(/C=C/c1cnc[nH]1)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1826566171 URENCGBIKBVOER-RCQQVGEISA-N 475.534 2.285 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnn3c1OCCC3)CC2 1828197619 DRXCSKXLAJNORS-MXPWBENCSA-N 497.533 2.178 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)CCO2 1840767648 SPRQMUKDUMKROU-NRFANRHFSA-N 499.417 2.035 10 20 JECD Cc1nc[nH]c1C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331347 NNPSSYJFKSQEAQ-LJQANCHMSA-N 482.585 2.253 10 20 JECD O=C(c1cc(=O)c2ccccc2o1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441090 LFJLDTKHHLUMNR-UHFFFAOYSA-N 470.485 2.403 10 20 JECD COc1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)cc1OC 1847038592 WCUSXHQMTUPXTO-RMKNXTFCSA-N 454.479 2.351 10 20 JECD COc1ccc(N2CCCN(C(=O)NCc3ccc([C@]4(C)NC(=O)NC4=O)cc3)CC2)cc1 726278846 LDRFRZZHLJEFGI-DEOSSOPVSA-N 451.527 2.172 10 20 JECD CC(=O)N[C@H](CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1c(F)cccc1F 727576941 UOYZDBDKAVVAKS-HXUWFJFHSA-N 493.482 2.367 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)cc2)C1 730480928 FYYZBUNKWLJIHQ-XZOQPEGZSA-N 498.649 2.247 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 899391080 FVXYDIDGCFPNBC-FCHUYYIVSA-N 457.571 2.464 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCCCn3nc4n(c3=O)CCCC4)cc2F)C[C@@H](C)O1 918218920 XVMGCQYBLXYMRG-CALCHBBNSA-N 460.554 2.023 10 20 JECD CN1C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)cc2C1=O 918277548 OZCNDIBYZJOWCR-UHFFFAOYSA-N 490.438 2.023 10 20 JECD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)CC1 918294017 BBCRUBYEWBOELR-UHFFFAOYSA-N 490.560 2.469 10 20 JECD CCS(=O)(=O)N1CCC[C@@H](C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 919645003 IXVPWGQDFVHILL-HZPDHXFCSA-N 498.557 2.394 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 920677062 ADWDGRCKJCMDOM-WIJYMUHASA-N 492.576 2.058 10 20 JECD COc1cc(C(=O)NCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc(OC)c1OC 920890233 QAVIKRZXFWFQIX-MRXNPFEDSA-N 457.527 2.156 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cnc2cc(Cl)ccn12 1777786823 RDSYZHRJSLIZGK-UZUQRXQVSA-N 485.928 2.235 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C(F)(F)F)CCC1)C2)c1cc(O)nc(O)c1 1777848192 LUVICUMVRSREKY-AUUYWEPGSA-N 457.449 2.353 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1779010407 WDAHELPGGPBHOA-DEOSSOPVSA-N 487.940 2.224 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccn2cncc2c1 1779113557 GAACFHIXKLMSNH-MUIWDSRZSA-N 492.532 2.292 10 20 JECD Cc1nn(C)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)c1F 1781121111 DSQYDLCNLSSXAH-OPAMFIHVSA-N 480.924 2.374 10 20 JECD CCS(=O)(=O)CC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1 1786345320 ODFNPLNTWBZLHI-VZUCSPMQSA-N 474.535 2.385 10 20 JECD O=C(Cc1ccc(F)c(C(F)(F)F)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1790776580 XJVVLTXEXMGYPV-YEWWUXTCSA-N 497.445 2.487 10 20 JECD Cc1nccn1CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1791573758 ZEKFPEGBITYTNB-KNBMTAEXSA-N 476.961 2.330 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)cc3)C[C@@H]21 1792218333 SEQISSQBFREZFX-DFQPPGIBSA-N 456.470 2.249 10 20 JECD C[C@@H](Nc1nccs1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1796861118 NFSNMIJPWFPZFG-XYVMCAHJSA-N 466.567 2.375 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2)c1cc(O)c(O)c(Cl)c1 1799767055 OGJKHKJFJJJGPU-UUALRLQOSA-N 477.857 2.169 10 20 JECD C[C@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1801172536 MRWAWHIBHSEWPV-MASGSYHESA-N 474.561 2.248 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)[C@H]1COc2ccccc2O1 1804199076 ZMJSURHXOYBVQS-YBVWCTEOSA-N 476.489 2.047 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C[C@H]2CNc3ccccc3O2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995681 HTJCHSXXGSVBBK-FXJWSJNKSA-N 489.532 2.471 10 20 JECD C[C@H](Nc1ccccn1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810570832 AMTVMZJSZWTNLB-YHEJKZAPSA-N 462.510 2.103 10 20 JECD O=C(/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)NC1CC1 1811805843 DLVGWMLUXDJEQI-VPQSVRNMSA-N 484.940 2.301 10 20 JECD O=C(CCn1cncn1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1813320505 PZXRNWRHHUVWLC-QRWLVFNGSA-N 470.917 2.148 10 20 JECD O=C(Cc1ccc(F)c(F)c1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1814093212 BFLNQFWGAUARQZ-NSHDSACASA-N 496.586 2.436 10 20 JECD CCO/C=C/C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814165848 LCOUCFIJHKMQQV-HNAFVLLKSA-N 453.495 2.468 10 20 JECD CC(C)N1CCC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)CC1 1815637439 SEJZLLRVBPUNKM-KRWDZBQOSA-N 492.671 2.383 10 20 JECD O=C(COc1ccc(F)cc1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816870389 XMGJSXNPOCKLFK-INIZCTEOSA-N 491.570 2.480 10 20 JECD Cn1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)cn1 1823480136 UYTKGZRHIDVINZ-DBWMJRBXSA-N 466.498 2.208 10 20 JECD Cn1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)n1 1827137912 MCGBTNMIRHWRLC-HSZRJFAPSA-N 476.581 2.375 10 20 JECD O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832882834 QWINWHQXQDOTJA-DWPKNLBQSA-N 456.539 2.329 10 20 JECD Cc1nn(C)c(C)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896662 MFXGDLJIQSLGFN-KRWDZBQOSA-N 477.656 2.131 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)[C@H]1C[C@H]1C1CC1 1833253565 LQMSLBPKVRJLGE-QSTNGILNSA-N 469.582 2.434 10 20 JECD COc1cnc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)cn1 1834316576 DMECZDDFFXQVAG-UHFFFAOYSA-N 489.960 2.049 10 20 JECD Cc1c(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)cnn1C 1837542876 ROXIKPSFXJFLLU-UHFFFAOYSA-N 492.580 2.134 10 20 JECD O=C1CC(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)C1 1838688565 NBIPWBYCPHIQLB-UHFFFAOYSA-N 450.919 2.343 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)nc1C 1839431624 DBSDSHTVDWLAGZ-QHCPKHFHSA-N 475.929 2.147 10 20 JECD O=C(Cc1cc(F)ccc1F)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840811895 OMQLWJVBNFWQMI-HSZRJFAPSA-N 496.894 2.342 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H]2F)C1 1841792389 ITAZNJIFFRPQLK-IKGGRYGDSA-N 477.533 2.095 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@H](C(=O)N1CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C1)C2 1843250417 WGXZAUOVABOAQJ-NXHRZFHOSA-N 486.569 2.345 10 20 JECD CC(C)(C)OC(=O)N1[C@@H]2C[C@H](F)[C@H](C2)[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250898 BBIISWSUZUEICP-FPXQBCRKSA-N 490.532 2.046 10 20 JECD CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)C1 1843947811 QJNJCRAJFSOHEA-UHFFFAOYSA-N 495.580 2.240 10 20 JECD COC(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251649 OLAUVUKQSKZGTA-QGZVFWFLSA-N 491.585 2.162 10 20 JECD O=C(c1cnc2ccc(F)cn12)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039253 ABOOWDGGBAKLNQ-XVNBXDOJSA-N 452.442 2.121 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(CCN4[C@H](C)CC[C@H]4C)CC3)CC2)cc1 729586283 GSHLVRCDTGAHQT-DNQXCXABSA-N 486.705 2.407 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)cc2)C1 751348430 AEUAZNXPAYXVRG-NHCUHLMSSA-N 488.592 2.433 10 20 JECD Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)nn12 756274133 HVSLHUQQIVTRPF-CYBMUJFWSA-N 455.430 2.392 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)/C(=C\c3ccc(F)cc3)n3nnnc3C)CC2)cc1 843444520 VKWHXSXOQKNMTN-HKOYGPOVSA-N 479.560 2.456 10 20 JECD CN(CCS(=O)(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(F)cc1 915220764 RQDQXMXRLGNRNC-UHFFFAOYSA-N 455.577 2.166 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@H](Cc3cccc(F)c3)n3nnnc3C)CC2)cc1 915699606 OWQNABAXECLINT-DEOSSOPVSA-N 481.576 2.242 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 918224975 YCBXYVMSTBHJKI-UHFFFAOYSA-N 498.527 2.157 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)C1 918464958 FTVZYOVLVPZKIU-AWEZNQCLSA-N 459.890 2.205 10 20 JECD C[C@@H](CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)NC(=O)c1ccccc1 918897957 YLJAGUGAPYKAAE-KRWDZBQOSA-N 457.502 2.030 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919698095 SDYMBPWULZVGRH-SFHVURJKSA-N 462.529 2.377 10 20 JECD O=C(CCCC(=O)NCc1ccc(N2CCOCC2)cc1)NCc1ccc(N2CCOCC2)cc1 919765475 CEWMYJFJZMZZSM-UHFFFAOYSA-N 480.609 2.463 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 920031528 FMSXPMDMWNQNSN-PXRHPAFUSA-N 476.577 2.285 10 20 JECD CC(C)(C)C(=O)N1CCC[C@H](C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 920720259 LEVDTQSJURAVBQ-SFHVURJKSA-N 463.550 2.106 10 20 JECD Cc1ccc(S(=O)(=O)c2ccc(-n3nc(C)cc3NC=C3C(=O)NC(=S)NC3=O)cc2)cc1 920978491 FHUJIFSXALYKQJ-UHFFFAOYSA-N 481.559 2.149 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cccnc1Cl 1783371292 RCZOXOJKAMUJPS-DEMFTJLTSA-N 473.913 2.159 10 20 JECD O=C(Cc1c[nH]c2ccccc12)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1789747672 HHTPAMZRRVQGKY-PZGSVQSZSA-N 499.571 2.483 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3F)C[C@@H]21 1792218326 YFDBJNFWBBRTHD-DJMBKUCCSA-N 486.496 2.014 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)ccc1C(F)(F)F)C2)c1cc(O)nc(O)c1 1796140501 RLWIYFIDIKICID-KSPBDQMDSA-N 469.391 2.168 10 20 JECD Cc1cc(C)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796480594 LCRCKJVGPKGHNV-IRJINJETSA-N 460.534 2.300 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)C=CC2=O)C3)cc1 1800515413 QETGZPZZNUJIMD-QQFNCUIESA-N 460.534 2.271 10 20 JECD Cc1ccc(C(=O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1800884923 BSJPQHIGYWSUOY-HGKCTWBKSA-N 458.898 2.146 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cc(-c2ccccc2)on1 1804334153 FATSEJQXRKKKAH-MUJYYYPQSA-N 470.576 2.454 10 20 JECD COc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1 1804334625 UXTVHXVTSIOXLX-JZFYCYHFSA-N 473.620 2.297 10 20 JECD C[C@H](Nc1nccs1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807992427 ADPACYPPFXDMLN-ZUEVXXBESA-N 468.539 2.165 10 20 JECD O=C(/C=C/c1cnccn1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813485872 JRARUMPYYLUQDE-LDKJALDDSA-N 487.516 2.421 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccncn2)[C@H]1c1cccnc1 1814163460 CUIMNSITHMFBGA-RKUWUGLRSA-N 461.478 2.021 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)c1cccc(=O)n1O 1816148406 OOCDHDQFQCQCDY-AWEZNQCLSA-N 473.873 2.493 10 20 JECD Cn1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)n1 1817561047 VNWXANYDFFMXTL-HXUWFJFHSA-N 474.525 2.171 10 20 JECD O=C1C[C@@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CCN1 1821295165 FXCKPEMDKBEWBQ-XHDPSFHLSA-N 461.906 2.306 10 20 JECD Cc1nccn1CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823500691 HENZIBJEHBHYLA-MRXNPFEDSA-N 489.627 2.247 10 20 JECD Cc1cc(C)n(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)n1 1823501506 RUDCHXZSEQNJJX-MRXNPFEDSA-N 489.627 2.166 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823710991 QGVYMPCYWZHFRF-CABZTGNLSA-N 466.947 2.300 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)ncn2)CC1 1824659515 VIWREBCRSOXPFO-SUQGKYDKSA-N 468.510 2.246 10 20 JECD Cc1nc(N)sc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1826974460 JNSLIXPEORUTPC-AWEZNQCLSA-N 481.669 2.127 10 20 JECD COCc1oncc1C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828198465 GDMYUGNIVPYSMH-QDBLGGKGSA-N 486.506 2.334 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)c2ccco2)CCO3)cc1 1829828939 YFTZYLXTAYPBIO-IGKIAQTJSA-N 493.560 2.491 10 20 JECD O=C(COC1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1830385367 VWLGNKGSJPMNSF-QHCPKHFHSA-N 482.961 2.171 10 20 JECD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1)n1cnnn1 1832294404 OYVOXLYUANNRIP-DYVFJYSZSA-N 462.938 2.232 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)CC[C@@H]2CCOC2)CC1 1832459768 RRLKINTYXODSEH-SJLPKXTDSA-N 467.657 2.283 10 20 JECD COC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877440 KWZYFMCMSJHCJF-IWHGQQBYSA-N 460.527 2.390 10 20 JECD O=C(CC1CCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1834661123 GGSPPJGMBBOUMG-QFIPXVFZSA-N 452.935 2.402 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3nccc4occc34)CC2)CC1)c1cc(O)nc(O)c1 1834986949 MVVHRUMAECWTRZ-UHFFFAOYSA-N 465.510 2.133 10 20 JECD O=C(Cc1ccsc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1836102325 VSMOIJDWWLADHN-NRFANRHFSA-N 466.943 2.125 10 20 JECD Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431717 IKDCQGNUGJPOME-DEOSSOPVSA-N 490.940 2.209 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840335063 GDOSJEZBERGSNF-GYCJOSAFSA-N 489.956 2.095 10 20 JECD CCC1(C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)COC1 1843331280 DZIJWLJPNXGLFL-HXUWFJFHSA-N 486.613 2.335 10 20 JECD CN(C)c1ccc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)cc1 24378568 CXYKMVWRPLFMDN-LJQANCHMSA-N 451.976 2.256 10 20 JECD COc1ccc(N2CCC(NC(=O)NCc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)CC2)cc1 726711458 AFTOGSSQEWLSOC-XMMPIXPASA-N 451.527 2.218 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1C(=O)O 728014523 CICMNBLTHSQCHI-UHFFFAOYSA-N 454.404 2.456 10 20 JECD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2cc(OC)ccc2O)o1 729536360 ZSKQAQHKUMKZGZ-CJNGLKHVSA-N 466.512 2.201 10 20 JECD CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 746507690 GYQMUWNJUDPQQV-SFHVURJKSA-N 482.624 2.376 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)cc2)C1 917833886 UYDQLUVPWVRHKF-OAQYLSRUSA-N 484.622 2.493 10 20 JECD O=C(COC(=O)c1cccnc1OCC(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 919075675 RHXGXOLNLHCQFT-UHFFFAOYSA-N 471.407 2.472 10 20 JECD Nc1nc2cc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)c4cc(O)nc(O)c4)C3)ccc2s1 1777848194 LYENYTQSBQKRPV-UZUQRXQVSA-N 483.550 2.126 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cnc(-c4ccccc4)s3)C2)C1 1779752443 LFNXTMOBXXYSEP-QHCPKHFHSA-N 466.519 2.374 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc3ncnn3c1)C2)c1cc(O)c(O)c(Cl)c1 1781122172 SDAIGTNOBXQNHK-NTKDMRAZSA-N 499.955 2.164 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc[n+]([O-])c4)CCO3)C2)cc1 1781750975 NYHCVOHNAAUMEP-AREMUKBSSA-N 460.534 2.485 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008270 XTSQXAUULBSASC-KFVKGYIZSA-N 490.896 2.025 10 20 JECD CCC[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1)n1cccc1 1783245732 ADFRMOBPARYXIT-PMAPCBKXSA-N 492.667 2.204 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1cc3cc(F)ccc3s1)CCO2 1785541052 RGHJADMOGAXTGA-NRFANRHFSA-N 493.607 2.344 10 20 JECD Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)oc2ccccc12 1787897170 GPPXPXMUEVXKDJ-ZVZYQTTQSA-N 487.603 2.195 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]32)cc1 1790126090 RDDQJSASLGGMAB-XGKIYDHQSA-N 497.592 2.303 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243021 NSOVWXYGYCMHPG-UWUZAJPRSA-N 488.924 2.185 10 20 JECD Cc1ccsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1794627396 YBZIXMQEBUXKCS-CWPLJXCYSA-N 452.536 2.053 10 20 JECD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccs1 1801298577 VWUBKFMERJEUIB-KHDHWHEOSA-N 458.536 2.271 10 20 JECD COC(=O)[C@H]1CCC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)C1 1802254305 JWDYXJAMYGNEIW-MTFRMWQMSA-N 480.565 2.397 10 20 JECD CN1CCCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1803176770 HYONWDGNURXTJT-JJQMRZQHSA-N 480.565 2.402 10 20 JECD CC(C)(C)n1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n1 1807991184 NLGGJVWDQHNKNY-IERDGZPVSA-N 464.526 2.473 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c21 1807994268 FIMHBVOBIIMVII-VFNWGFHPSA-N 488.504 2.114 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)cc2F)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808000565 NSVUEIWBUAYVJW-QKKBWIMNSA-N 452.442 2.366 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1noc2c1CCCC2 1808022917 ZHCVUFTWPPTNIU-OYHNWAKOSA-N 463.494 2.388 10 20 JECD Cc1nc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)no1 1811798564 RRAWZSPZGVGWKW-JLTOFOAXSA-N 471.901 2.400 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)C1 1818649780 HSUSFJPBHRUVII-ZDUSSCGKSA-N 489.554 2.042 10 20 JECD CCc1oncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1826173981 GRVOGBKUBCSPFQ-INIZCTEOSA-N 464.613 2.331 10 20 JECD COc1ccnc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)c1OC 1827427577 DNDFEBGXIUYXMG-QGZVFWFLSA-N 470.526 2.452 10 20 JECD CCC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1828128359 ZZEBVASFTGSRLQ-MAUKXSAKSA-N 496.593 2.153 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3[nH]ncc3c2)CC1 1828525126 WTEXXPWMNZZMIJ-KRWDZBQOSA-N 486.623 2.052 10 20 JECD O=C(c1n[nH]c2c1CCCC2)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901434 DKINUEBVXOQKHI-SFHVURJKSA-N 489.667 2.382 10 20 JECD CC1=C(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)CCO1 1832901547 FLUKMJCMLTXUKT-QGZVFWFLSA-N 451.614 2.161 10 20 JECD C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1)C(=O)O 1840839259 RHCFFCZSFSPNAV-XWUHCIGLSA-N 481.549 2.195 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O 1847958747 VCFJPMQSPQROEK-BFXBUTIFSA-N 473.526 2.028 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)CC2)cc1 727326531 QZUWZVFBCQZAEB-UHFFFAOYSA-N 480.565 2.423 10 20 JECD Cn1nccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 727352854 NATPBMZPSSTUKE-UHFFFAOYSA-N 464.525 2.183 10 20 JECD COc1ccnc(N2CCN(CC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)CC2)c1 729484129 PRUPJPKWZIISSC-OALUTQOASA-N 471.577 2.281 10 20 JECD O=C(COC(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)NCc1ccc(N2CCOCC2)c(F)c1 731247308 AYHDUYXTAFSPGV-RUZDIDTESA-N 485.556 2.020 10 20 JECD Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 744652565 FNHIMCNQYQRTSJ-LBPRGKRZSA-N 462.418 2.446 10 20 JECD CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc21 746989045 BGJQMMQLXMIJOB-LJQANCHMSA-N 482.537 2.008 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)cc2F)C[C@@H](C)O1 748461902 RVSHRCYKBGTGBT-WOJBJXKFSA-N 498.603 2.372 10 20 JECD Cc1cc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(C)n1-c1cccc(Cl)c1 749571581 INLDXMXMZQNKNQ-UHFFFAOYSA-N 456.930 2.181 10 20 JECD COc1ccc(Cn2nnnc2SCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 917204915 ZKQVOFHZGKRAJD-UHFFFAOYSA-N 472.546 2.114 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3-n3ccnn3)cc2F)C[C@H](C)O1 918289658 ZNHHJRNMMQVGNP-HOTGVXAUSA-N 452.490 2.275 10 20 JECD O=C(COC(=O)COc1cccc(N2CCCC2=O)c1)NCc1ccc(N2CCOCC2)c(F)c1 918911601 SRGKGBSKMRCZKH-UHFFFAOYSA-N 485.512 2.028 10 20 JECD CCCS(=O)(=O)c1ccccc1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 919116122 FVPIARZFFLCVSD-UHFFFAOYSA-N 478.542 2.319 10 20 JECD NS(=O)(=O)c1cc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc([N+](=O)[O-])c1 919723382 IGCBPZZRBGNBQH-UHFFFAOYSA-N 487.517 2.110 10 20 JECD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 920922678 KAVFXSMEUFAMSJ-KRWDZBQOSA-N 468.554 2.124 10 20 JECD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 921193537 WYWQISDMSIPYIZ-LJQANCHMSA-N 457.552 2.105 10 20 JECD Cc1nc2ccncc2cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777848538 XXFGZQZIVWRNTJ-CJFMBICVSA-N 477.521 2.186 10 20 JECD Cc1cncc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1 1778126521 ZCJKZHHFQNKMQM-ATIYNZHBSA-N 475.549 2.310 10 20 JECD CC[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)N(CC)CC 1782004553 ZZYYYIYGDZBUHR-VGSWGCGISA-N 453.967 2.315 10 20 JECD CC(C)[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1ccccc1 1784172299 HTYOQFRCWMAQPW-OZIGNCPNSA-N 489.663 2.266 10 20 JECD COc1cc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)ccn1 1785104920 GEHQDIWZBZGESV-KNBMTAEXSA-N 489.956 2.381 10 20 JECD O=C(Cc1cccnc1Cl)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1785163825 BKLNPNDLWZLKHI-CUWPLCDZSA-N 495.967 2.050 10 20 JECD Cc1cccnc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1785203621 CQCVKWAMDMJDSX-PTLVVNQVSA-N 489.576 2.095 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCCC1(F)F)CCO2 1785503849 SEMLGKCZIFNOBN-WAQKVGIPSA-N 466.481 2.472 10 20 JECD O=C(CN1CCOC1=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788671595 YSZBWJYYMYXNDL-UHFFFAOYSA-N 475.505 2.366 10 20 JECD Cc1nscc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790242281 ZSLSMBFZGAKYIJ-BNLOLNQZSA-N 451.932 2.423 10 20 JECD CN1CCC[C@H](C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)C1 1790397191 ZHSRTLOZBGNYFM-HNNXBMFYSA-N 460.625 2.323 10 20 JECD Cc1nc(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)s1 1792218444 DPWCTRNIXKDNQU-OHLZFXOVSA-N 473.551 2.183 10 20 JECD O=C(CCOc1ccc(F)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1792736634 AIEVMQNJGOVWBZ-HRQNJBFSSA-N 486.496 2.014 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)C1=C2c3ccccc3C(=O)N2CC1 1796601395 CHZBHAVOVWRENQ-MUJYYYPQSA-N 460.490 2.015 10 20 JECD CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796602561 QBLUZISTFOVMAJ-HAGNESBASA-N 486.569 2.392 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(C)COC1)C2 1796749424 GHHXDQHPZCUOGH-PLACYPQZSA-N 486.613 2.379 10 20 JECD Cn1ccc2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)c21 1797054139 VETLGKUOHIKIKE-HCSKGQDESA-N 477.517 2.212 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3c(s1)CCC3)C2 1802081411 UQUBPCMIAULHPZ-GSNLVNFQSA-N 470.547 2.270 10 20 JECD CC(C)(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c[nH]1 1802081488 WRNOCNQVSIOCCF-ZLSBKTEHSA-N 469.538 2.346 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc31)C2 1802082710 ZYMRBGCTNZPFSN-CMMYHZPWSA-N 464.518 2.136 10 20 JECD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc(OC)c1C 1803817149 HIXONGIUYOZNLI-MUJYYYPQSA-N 477.608 2.124 10 20 JECD Cn1cccc(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)c1=O 1806302464 YOLFUFGFZGKMSF-SOFGYWHQSA-N 467.522 2.060 10 20 JECD Nc1c(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)sc2nccnc12 1807315443 YDNYSLLAUGGQNW-DJJJIMSYSA-N 491.533 2.108 10 20 JECD CC(C)N1CCC(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)CC1 1807993200 FSQBLXSNNYKJKA-WMZHIEFXSA-N 467.570 2.328 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnc(C(F)(F)F)cn2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993407 KGSYDKZRUFSPCK-DJJJIMSYSA-N 488.426 2.330 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2CCc3sccc3C2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994218 SZGZIWWGHXSJSZ-OSPHWJPCSA-N 493.589 2.327 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(Cl)c3nncn3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995250 FSVICCRNMIJIRC-XOBRGWDASA-N 493.911 2.217 10 20 JECD Cc1nnsc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808467297 FJSKFZMJPQPBBH-LAUBAEHRSA-N 489.561 2.354 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc2n(n1)CCCC2 1809863647 GIQCVXHXLSRPDP-ZHRRBRCNSA-N 462.510 2.054 10 20 JECD CC(C)(C)OCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815595690 ZZQFCRZZSZHVMT-ZDUSSCGKSA-N 453.590 2.077 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)COc2ccc(F)cc2)[nH]n1 1823496196 HSMIUAGCVBQEOA-MRXNPFEDSA-N 491.570 2.480 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)n2)[nH]n1 1823500217 WSTMSGKWFUBWOM-ZDUSSCGKSA-N 462.532 2.110 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(Cl)nc2)CC1 1823635140 MLOAMIONCQUPPY-HNNXBMFYSA-N 482.031 2.224 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)Cc2cnc3ccccn23)CC1 1824153995 SZJVNXYVNKBHFY-IBGZPJMESA-N 499.662 2.357 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1cccnc1 1834136051 STGMKZBPTYPRJC-GQCTYLIASA-N 466.538 2.097 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1cc2n(n1)CCC2 1835610227 JFXHNWMEUZPIPJ-UHFFFAOYSA-N 487.988 2.393 10 20 JECD C[C@@H](Cn1cncn1)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838420967 DBLATFHUDCPCFG-HNNXBMFYSA-N 491.976 2.291 10 20 JECD Cc1ccc(F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880175 ZZZQWWNJIKGKQB-OGPASDKVSA-N 486.496 2.034 10 20 JECD O=C(c1cnc2ccc(Br)cn12)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250195 UXKIDSLNXOIORC-UHFFFAOYSA-N 472.299 2.034 10 20 JECD Cc1ccn2c(C(=O)N3CC4(CCCN4C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)cnc2c1 1843442137 AAXMNSPKDIKTOL-UHFFFAOYSA-N 456.506 2.253 10 20 JECD Cc1nc2cc(C(=O)N3CCCC34CN(C(=O)CN3C(=O)CSC3=S)C4)ccc2s1 1843765930 AQIFAUFTOYUDRF-UHFFFAOYSA-N 460.606 2.282 10 20 JECD O=C(OCc1ccccc1)N1CCC(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CC1 1843926386 IPNASDXPJMMJCI-UHFFFAOYSA-N 494.548 2.359 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2c(F)ccc(Cl)c2F)C1 1846865178 LMEZZRFALFNWTQ-UHFFFAOYSA-N 459.927 2.296 10 20 JECD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O 1847954652 JDICPLDKSRWOCU-GFXFGIRVSA-N 475.542 2.322 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)c3cnccn3)c2C)c1 10735406 OWMHSJMTMFAPME-UHFFFAOYSA-N 451.435 2.497 10 20 JECD COc1ccc(N2CCN(CCNC(=S)Nc3cccc(S(=O)(=O)N(C)C)c3)CC2)cc1 742910426 IOYMPGMGGQSSRF-UHFFFAOYSA-N 477.656 2.054 10 20 JECD C[C@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C(=O)N1CCC(C(N)=O)CC1 913362745 XEHQPAFAURGTIL-HKJJFUAXSA-N 495.648 2.385 10 20 JECD Cc1cc(C(=O)COC(=O)C2CCN(S(N)(=O)=O)CC2)c(C)n1-c1ccc2c(c1)CCC2 914897800 GFTVBGXJEJQFOP-UHFFFAOYSA-N 459.568 2.224 10 20 JECD CN(C)S(=O)(=O)c1cccc(NC(=S)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 917596384 RRVVPSYNISZTRO-KRWDZBQOSA-N 475.640 2.125 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(C(=O)N4CCN(C)CC4)CC3)cc2F)C[C@@H](C)O1 918219428 BOFZQRUJHMPICD-RTBURBONSA-N 475.609 2.135 10 20 JECD COc1cc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1N1CCCC1=O 918283998 SFMVBNZMWXLGTO-UHFFFAOYSA-N 470.501 2.053 10 20 JECD CCOc1cc2c(cc1NC(=O)C(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)O[C@@H](C)C2 918463949 PUNRBHPHLWOTOH-WMZOPIPTSA-N 480.565 2.365 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cc(N4CCCC4=O)ccc3Cl)cc2)C1 918465417 MBGWVMCBNAOUPQ-QGZVFWFLSA-N 497.983 2.423 10 20 JECD O=C(Cn1cc(Br)cn1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919700890 GAOFXYJDNZCLKV-UHFFFAOYSA-N 474.338 2.218 10 20 JECD C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)NCc1ccc(N2CCOCC2)cc1 919790148 MYFCBWOQELIOFX-GOSISDBHSA-N 465.554 2.429 10 20 JECD O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c1 919791838 AQSARWVSQDRMSU-UHFFFAOYSA-N 481.597 2.183 10 20 JECD O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 919969279 ICNGNLQVPQMXBR-UHFFFAOYSA-N 475.586 2.477 10 20 JECD C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccc(N2CCOCC2)cc1 920924661 CVRBBQRQXQSQIP-SFHVURJKSA-N 450.539 2.462 10 20 JECD CC(C)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)cc1 1780767926 INTUNPNJYOVSID-QFIPXVFZSA-N 461.609 2.114 10 20 JECD O=C(Cc1ccc(O)cn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1782634356 NWCUJZUZUPFSHS-AUSIDOKSSA-N 475.929 2.222 10 20 JECD CC1=CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1796479747 PICLTFIGHPBPMC-XWQURZDVSA-N 450.539 2.115 10 20 JECD Cc1ccc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1801688372 RCATVTMXDNZGMI-HCSKGQDESA-N 452.507 2.337 10 20 JECD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1C 1802080288 MVXLHQLQXSHDCX-VBNMUIRISA-N 452.507 2.337 10 20 JECD COC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1803689911 WSNUAWZSSMHGOZ-NFHDCNJTSA-N 455.511 2.200 10 20 JECD O=C(/C=C/c1ccco1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1804616538 QHQUOSGFDDYHAI-OFGRBQKGSA-N 470.576 2.254 10 20 JECD COC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1806377028 HDJYCFCKDVLBFZ-VBKZILBWSA-N 461.902 2.419 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(Cl)c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992200 WGJZDRKIBCBDFC-XCLFUZPHSA-N 469.885 2.275 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994342 UQEGBTSWHCQBHN-CESLVFQTSA-N 479.449 2.422 10 20 JECD Cc1nc[nH]c1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808468820 YWZMKVVGMMMAJF-WZONZLPQSA-N 471.521 2.226 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811796038 BHYPXMJLDQHXBW-QSFXBCCZSA-N 474.945 2.381 10 20 JECD COc1ccsc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814189201 BWAMUDVWKQIAPH-KSSFIOAISA-N 490.632 2.332 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3nccn3c1)CC2)c1cc(O)nc(O)c1 1816726399 YEJDLARBFCSNHU-CYBMUJFWSA-N 450.480 2.137 10 20 JECD Cc1noc(N)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146576 QSURNZZKMFBOTD-QGZVFWFLSA-N 476.497 2.387 10 20 JECD C[C@]1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)CC1(F)F 1823404270 ZKTOEMVVNGKDLD-APPDUMDISA-N 457.528 2.307 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3[nH]ncc23)[nH]n1 1823497230 BEXPSWXSFOUKDY-INIZCTEOSA-N 483.579 2.452 10 20 JECD Cn1cc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CN4C(=O)CSC4=S)n[nH]3)ccc2n1 1823499627 QCEZOXWHRFNNBM-KRWDZBQOSA-N 497.606 2.463 10 20 JECD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)C1(O)CCC1 1823739827 WDTDPJQTORVHAL-WBVHZDCISA-N 467.657 2.018 10 20 JECD CC(C)(C)OC(=O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1824759716 UJIKVZVMZBPVSC-MRXNPFEDSA-N 483.656 2.198 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2nccs2)CC1 1826115487 MAUHHMHIQSMBQX-AWEZNQCLSA-N 452.627 2.237 10 20 JECD C/C=C(\C)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835133876 HLLYXAXARCMTHQ-JFQJCAQQSA-N 451.571 2.317 10 20 JECD Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c(C)n1 1838029683 AXYYQNWCARLPFY-UHFFFAOYSA-N 454.527 2.431 10 20 JECD O=C(/C=C/c1cccs1)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccc(O)c(O)c1O)CCO2 1840880446 PMAAAVMXAVYPHO-JCZMADQFSA-N 486.546 2.048 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)[C@@H]2CCc3ccccc3[C@@H]2O)C1 1841386665 NGFONBYXXOBBQP-QPPBQGQZSA-N 472.545 2.279 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)CN2CCc3sccc3C2)C1 1841935027 ZBCUPQQCZHZUBR-UHFFFAOYSA-N 477.590 2.103 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)Cc2ccc(Br)cn2)C1 1842091949 QBCUWSVIGAHYBU-XVNBXDOJSA-N 488.338 2.420 10 20 JECD O=C(c1n[nH]c2c(F)cccc12)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037722 SGETVCHWPCECBS-SOFGYWHQSA-N 452.442 2.349 10 20 JECD CC(C)(C)OC(=O)N1CC=C(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847729571 LIDQBVXOGRZGIH-KEEVIKFDSA-N 485.537 2.196 10 20 JECD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 22068726 QAUPUGNHTZPGGV-UHFFFAOYSA-N 485.566 2.404 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)OCCn1cncn1 727049448 LFPNBZDRIKDQCW-QPEQYQDCSA-N 453.343 2.485 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)CC2)cc1 742919677 CDLVCMAGKFJUKW-HSZRJFAPSA-N 452.555 2.365 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(C)=O)CC2)cc1 750301537 PXVUFONZLXVBNG-DEOSSOPVSA-N 478.549 2.116 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(C(=O)Cc3ccccc3)CC2)c1 917457100 ZRDRTSHDPGCNCS-UHFFFAOYSA-N 451.567 2.314 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCCCN3CCN(c4ncccn4)CC3)cc2F)C[C@H](C)O1 918203018 UHBCYFVKNCVHDX-PMACEKPBSA-N 485.608 2.241 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(C(N)=O)c3)cc2F)C[C@@H](C)O1 918286510 INWHURMPOQCSIK-CHWSQXEVSA-N 462.909 2.447 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(Cn4cccnc4=O)c3)cc2F)C[C@@H](C)O1 918288161 UIRXLNWGCXZLPY-QZTJIDSGSA-N 493.539 2.299 10 20 JECD CN1CCN(c2ccccc2NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 918297940 VNVWPYYJZDOUGQ-FQEVSTJZSA-N 452.555 2.290 10 20 JECD CCCCOc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 918336346 XPYBKOMDBFXEKJ-UHFFFAOYSA-N 473.595 2.147 10 20 JECD O=C(O)c1ccc(Br)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c1 919730786 VDOFITVIGLCXAY-UHFFFAOYSA-N 455.330 2.462 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NC[C@@H](O)COc1ccccc1 919785466 ZOWWDTXPWYLSDC-HXUWFJFHSA-N 480.544 2.181 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccnc1-n1cccn1 919855754 WBRCAUUQWKEJEN-UHFFFAOYSA-N 458.501 2.453 10 20 JECD COCCN1C(=O)/C(=C/Nc2ccccc2C(=O)Nc2ccc(OC)cc2)C(=O)NC1=S 920979128 XDTGMCDLZDBKTF-GHRIWEEISA-N 454.508 2.133 10 20 JECD CCn1c(/C(Cl)=C/c2cn(C)c(=O)n(C)c2=O)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1317798185 OQBWMBZDTBHCNR-ATVHPVEESA-N 492.001 2.365 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(NC(=O)C2CC2)cc1 1780841911 JURBIJJNSDJEQX-FQRUVTKNSA-N 494.548 2.283 10 20 JECD COc1cc(C)cc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1 1781482690 KSPOYYHMFTXCAK-AREMUKBSSA-N 476.533 2.240 10 20 JECD CC[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1)N(CC)CC 1783218416 ODMJDRRZGJDZCA-BZZJHITLSA-N 489.613 2.451 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)C3(c4ccccc4F)CC3)C2)C1 1785461827 ZAYUMSHSIJKWRC-AREMUKBSSA-N 490.535 2.480 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)CCCc1cccnc1)CCO2 1785509867 BCJKHWCLJFGJCP-CFSVISAESA-N 467.522 2.064 10 20 JECD CC[C@H](NC(N)=O)C(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788672416 AXVKAVMYXQYARQ-IBGZPJMESA-N 476.537 2.360 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@@H]1[C@H]2C=CS[C@@H]21 1790630646 IVXYLLHDWAHPJR-ZAHVWYGNSA-N 450.944 2.220 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@@H]1Cc2ccccc2N1 1790682400 QAIJVPVBPLXUBR-SCNUJWJTSA-N 471.941 2.381 10 20 JECD O=C(CCc1ncc[nH]1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1791760886 CQQXRGUSLFLZNC-UHFFFAOYSA-N 457.581 2.337 10 20 JECD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2)n1cccc1C=O 1796199614 YRHPVIJATYDSNB-XEYPJELSSA-N 461.522 2.293 10 20 JECD CCOc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796480808 JXGCVQZBTRCXSU-NHKMSHSESA-N 476.533 2.081 10 20 JECD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(-n3c(C)ccc3C)cc2)nn1 1799620828 FUMMHEHBFUKIQZ-IRJINJETSA-N 475.549 2.410 10 20 JECD CN(C)c1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1 1802687574 CBKZHMWINREKHX-GGPHIMKMSA-N 474.652 2.184 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)n1ccnc1 1803308379 MRGKPNIKJCAPHM-LJFZDNNRSA-N 485.548 2.338 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)nn1C 1805594058 OSFKMVOQHXMUTR-VSEMJTJDSA-N 477.521 2.273 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc3c[nH]nc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995348 YIAXEGOSNOZCCS-AOMKIAJQSA-N 458.478 2.398 10 20 JECD CN1CCCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808463565 DAYSRQSZUIJHAR-ZWSUVBHBSA-N 488.592 2.365 10 20 JECD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1810532909 RJLWYTNIVISENZ-IAMHBRQHSA-N 472.929 2.157 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(Cl)cc2nn[nH]c12 1811436045 LUJZJRBIWGHHDU-ASSNKEHSSA-N 493.911 2.446 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)Cc2cccc(F)c2)[C@@H]1c1cccnc1 1814185909 ICWMPKIHDHQICK-HTAPYJJXSA-N 486.594 2.330 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814188834 BJCBYJRQWXOVBD-RADWXHQJSA-N 497.646 2.448 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)CCCn2cccc2)[C@@H]1c1cccnc1 1814191870 NUHVQJMPZBPMJQ-XMSQKQJNSA-N 485.635 2.230 10 20 JECD CN(C)c1cncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c1 1816105811 ZBJDPAODGLBFTM-INIZCTEOSA-N 487.611 2.037 10 20 JECD COc1cccc(CCC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)n1 1816721125 FXDJDZCUUKWBNP-CQSZACIVSA-N 469.523 2.212 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816726405 VXJNQTAAGUOMSJ-AAEUAGOBSA-N 454.512 2.071 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728115 JDQCSJQVFUMEHU-PWSUYJOCSA-N 477.543 2.088 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCO1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817362521 RZKAKYDIIXJLJR-SUMWQHHRSA-N 453.524 2.027 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146321 CBNOUZZPBAYDRA-FOIQADDNSA-N 479.541 2.062 10 20 JECD CCc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)no1 1823500177 UQWNZUGDSDSYGK-CQSZACIVSA-N 462.557 2.126 10 20 JECD CC1CCN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1824368605 WGVJFWMJKBHSOF-LJQANCHMSA-N 480.700 2.198 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3ncncc3c1)CC2 1828244902 WPRJTABQDWRPQK-CYBMUJFWSA-N 498.615 2.172 10 20 JECD CC(C)[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)c1ccccc1 1830843033 IINWAHJQEOGXBG-RCZVLFRGSA-N 469.538 2.003 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1831477989 GSMDTVKQFVIRKS-MHZLTWQESA-N 496.608 2.079 10 20 JECD O=C(c1ccc(F)nc1F)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899136 GQVPAMTZDZWFGU-HNNXBMFYSA-N 482.578 2.453 10 20 JECD CSCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833505219 HROVYCSJLHRJAM-UHFFFAOYSA-N 450.605 2.067 10 20 JECD CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)CC2)CC1 1835048226 AOAMCJMPQHGEPL-HSZRJFAPSA-N 487.645 2.296 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1)c1ccccc1Cl 1836230026 JACLESQPKSRLAD-UHFFFAOYSA-N 495.070 2.386 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)C(C)(C)F)C1 1842849205 NTVNXPYAJFLTAK-INIZCTEOSA-N 479.549 2.485 10 20 JECD O=C(COc1ccccc1F)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442122 AJTDWPAFQJCFAE-UHFFFAOYSA-N 450.470 2.201 10 20 JECD COc1ccc(N2CCN(C(=O)COc3ccc(O[C@@H]4CCCCNC4=O)cc3)CC2)cc1 727757777 BQGAOWGNRDUVFT-HSZRJFAPSA-N 453.539 2.470 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 729496251 GPBIHDGWWOPHKI-LJQANCHMSA-N 494.564 2.454 10 20 JECD C[C@H]1CN(C(=O)COC(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)CCO1 913364011 VMZYAPSXMYBDCW-AAWHYMEISA-N 499.408 2.441 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)c3ccccc3S(=O)(=O)N3CCOCC3)cc2F)C[C@@H](C)O1 917715339 PEZBDERUEVMQPW-QZTJIDSGSA-N 491.585 2.390 10 20 JECD Cc1sc2ncn(CC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c(=O)c2c1C 917834180 YDHOEBAJNWROQJ-QGZVFWFLSA-N 453.568 2.093 10 20 JECD C[C@H](OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 918001303 IOFGOHILYAMLMA-NRRJATNASA-N 489.484 2.053 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cccc(Cl)c1-n1cncn1 918285085 WZTIMAFDQHCDKZ-UHFFFAOYSA-N 458.881 2.151 10 20 JECD O=C(CN1CCOCC1)Nc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 918293735 FDVZPXXHIXPBQD-UHFFFAOYSA-N 492.532 2.423 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)Nc2ccc(Br)cc2F)c1 920636792 KXYHSDGDGBMELQ-UHFFFAOYSA-N 461.265 2.461 10 20 JECD C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(N2CCOCC2)cc1 920879434 MJNSQYFDLUDOCK-QGZVFWFLSA-N 477.558 2.174 10 20 JECD CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1780421489 ULKAHLIPOMEEAF-HSZRJFAPSA-N 488.497 2.190 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cccc3c[nH]nc13)CCO2 1782001919 NXAXQLROOGZZMJ-JOCHJYFZSA-N 456.886 2.385 10 20 JECD COc1ccc(/C=C(\C)C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)cc1 1782804327 AKTGHUBPUYMUNY-VLSFKVKESA-N 453.495 2.048 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)C[C@@H]21 1792219375 ULYDAVCMXRDEAN-GIXYZKKCSA-N 466.481 2.232 10 20 JECD O=C(Cc1c(F)cccc1Cl)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1792753784 ACMAZKSNHBCXAL-VJZPNJBGSA-N 498.942 2.404 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1OC(F)F)C2)C1=NN(c2ccccc2)C(=O)C1 1796482772 YFWZKBYBIAFSGK-MFKICJERSA-N 498.486 2.284 10 20 JECD Cc1ccc(C(=O)NCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)cc1 1796935461 LRYRSCNVMZELTQ-QQFNCUIESA-N 487.560 2.156 10 20 JECD Cc1cc(C)n(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)n1 1796935548 RXLUFRFZQDCFMK-NUZGMZIFSA-N 462.554 2.321 10 20 JECD COC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799620012 ILCSSJVXJOAQIV-IRJINJETSA-N 453.539 2.251 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c[nH]nc3c1)C2)c1cc(O)c(O)c(Cl)c1 1799768547 ZGUUFDBHWPZALT-CCWDJLKJSA-N 456.886 2.145 10 20 JECD Cc1[nH]nc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)c1F 1805125333 OURJAYYPKDOUQL-NLLJUKRZSA-N 481.484 2.402 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCCO2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808464864 PYNGEYMSZGTNRU-APTRMMRNSA-N 475.549 2.449 10 20 JECD Cn1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(C(F)(F)F)n1 1810816751 GZAWQILZRFQMEF-ACJLOTCBSA-N 490.442 2.274 10 20 JECD O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1812502501 IPERLLDIVADFLA-HJPURHCSSA-N 495.467 2.497 10 20 JECD O=C(Cc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1814177076 FABXBZWBVINZQG-CMJOXMDJSA-N 495.467 2.497 10 20 JECD Cc1ccccc1NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1815234930 MGBZVRIQEGSCHZ-CYBMUJFWSA-N 489.648 2.336 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3cccnc3nc1O)CC2)c1cc(O)nc(O)c1 1816728274 DLRCCWFKXOJKAB-LBPRGKRZSA-N 478.490 2.138 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](N)CN)sc3C2)cc1 1817074242 ZBBLASALIHQXGX-WMZOPIPTSA-N 452.584 2.062 10 20 JECD Cn1nccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146552 PJMJGCOZLWCDSC-SFHVURJKSA-N 460.498 2.242 10 20 JECD COc1nccnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476368 AJXDMTLKUGLQJO-PMGBHYCQSA-N 480.481 2.344 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)CC1 1829518081 ZQXDXUBLFRZDKT-ZEZYUPADSA-N 467.522 2.384 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 1832125681 HRRSMNRIMYJFSP-OXQOHEQNSA-N 453.543 2.254 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCO2)CCO3)cc1 1836223248 NLMRVUPIYZCAJQ-ZEQKJWHPSA-N 467.566 2.343 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1)c1cc(F)ccc1F 1836223588 BOIUUYFEWRBYGP-UHFFFAOYSA-N 496.605 2.010 10 20 JECD O=C(c1ccc2c[nH]nc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434119 ONTRZCQBRMHWLC-QHCPKHFHSA-N 486.912 2.011 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037639 VDAUMFWZDSEQGT-SEAIUIDQSA-N 499.564 2.420 10 20 JECD COc1ccccc1OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(c2ccccc2)C(=O)C1 1847398672 YPTMOMCUBQBLNM-PMACEKPBSA-N 462.506 2.069 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@H]3CN(C(C)=O)c4ccccc4O3)CC2)cc1 24088899 LTWDOPOYUFKREO-XMMPIXPASA-N 452.555 2.138 10 20 JECD COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 108581399 GZJMEJPJQLZECB-UHFFFAOYSA-N 461.584 2.281 10 20 JECD Cc1cc(C(=O)CSc2nnc(N3CCOCC3)s2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 109069312 WEWQVWFEEGEPPS-UHFFFAOYSA-N 493.636 2.405 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)cc1F 747011611 CVWBVHUHMZGJAJ-UHFFFAOYSA-N 462.909 2.272 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3nnn(-c4ccc(OC)cc4)c3C)CC2)cc1 915399452 OTNFCCRGWYCYGJ-UHFFFAOYSA-N 465.510 2.099 10 20 JECD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccc(N3CCOCC3)c(F)c1)C2=O 917707556 NISHWNARNKDLGF-VOIUYBSRSA-N 460.550 2.415 10 20 JECD COc1ccc(N2C[C@H](C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2=O)cc1 917834711 OCVIYSFEOUIEHH-RTBURBONSA-N 450.539 2.066 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3Cn3cncn3)cc2F)C[C@@H](C)O1 918287038 NBZBPUUJDKQQLH-IAGOWNOFSA-N 466.517 2.334 10 20 JECD Cc1nn(C)c2ncc(NC(=O)C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cc12 918287623 QWWSSZBZZOCGHL-OKILXGFUSA-N 454.506 2.284 10 20 JECD Cc1ccc(C(=O)N[C@@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C(C)C)cc1 918334595 IZZUMNUPENIERD-JOCHJYFZSA-N 457.596 2.301 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccnc1N1CCOCC1 919699494 NTWSELHORIBTDF-UHFFFAOYSA-N 477.544 2.104 10 20 JECD CCOC(=O)N(C)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 919794274 NDWIJEDICYMVKP-GOSISDBHSA-N 481.553 2.236 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCCO3)C2)c1cc(O)c(O)c(Cl)c1 1781122764 LXCZAZIMOIYTRH-WZONZLPQSA-N 490.944 2.172 10 20 JECD O=C(Cc1cccc(F)c1F)N1CC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1783381912 QRFUIUNHBDAZCD-VWLOTQADSA-N 482.487 2.130 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4ccccc4O3)C2)C1 1783839042 GIVMOKIZADPTJS-WNCULLNHSA-N 488.544 2.003 10 20 JECD Cc1ccc2c(/C=C/C(=O)N3CCO[C@]4(CCN(C(=O)CN5C(=O)CSC5=S)C4)C3)c[nH]c2c1 1785547149 ZDUJHKKVYYYFJY-JURIHQFCSA-N 498.630 2.180 10 20 JECD O=C(CC1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1786739132 SALRNEODVYCASV-QOKNQOGYSA-N 452.935 2.161 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)[C@@H]1CCc2ccccc21 1791386306 DFDFIVYEGASWQM-UUMRBEHKSA-N 486.572 2.489 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796482658 LUNSAMNTDPQSRB-MYUHRCNTSA-N 472.545 2.173 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc31)C2)C1=NN(c2ccccc2)C(=O)C1 1796482761 XDLKWUAIAOPUSZ-YBWLXYFRSA-N 472.545 2.099 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc2occc2c1O 1800016267 CVIPXCVYXCYKFC-RSQQPWMTSA-N 488.500 2.135 10 20 JECD COc1cccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1806553854 ZAPJJGLQCSNZOR-MHECFPHRSA-N 462.506 2.459 10 20 JECD Nc1nc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cs1 1807236709 LYVOFTJFOCZZSL-ZIPBJVRUSA-N 481.534 2.270 10 20 JECD COc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(O)c1 1807996113 YCOUASOTYKTWRD-IVZQSRNASA-N 464.478 2.235 10 20 JECD CN1CCC(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)CC1 1808465193 RIYCQXVERJIBLH-OFVILXPXSA-N 488.592 2.222 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@@H](CNC(=O)C2(Br)CC2)[C@@H]1c1cccnc1 1808707759 OJSIOHXANGFKIN-GUYCJALGSA-N 461.316 2.135 10 20 JECD C[C@@H]1CCc2c(C(=O)N3CC[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@@H]3c3cccnc3)n[nH]c21 1814189669 VTWZPCZLQDWDAR-CGSMKXTHSA-N 498.634 2.034 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccccc1-n1nccn1)CC2)c1cc(O)nc(O)c1 1816730018 YXMAVBYZRHAMMR-CYBMUJFWSA-N 477.506 2.070 10 20 JECD O=C(COc1ccccc1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816863800 HKHXVRPWHHVNAY-INIZCTEOSA-N 473.580 2.341 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CSc2ncccn2)[nH]n1)c1cc(O)nc(O)c1 1817844599 GNJNYEOSDKLTBF-AWEZNQCLSA-N 455.500 2.104 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cnccn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818145769 JGJXSFZHBPXRMR-IBGZPJMESA-N 458.482 2.299 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(=O)n2O)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821290874 LMCKVHVOPYNQQD-CQSZACIVSA-N 473.873 2.493 10 20 JECD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)n1cccc1 1823501137 OFSGJXIKSOYBRI-DZGCQCFKSA-N 460.585 2.325 10 20 JECD Cc1nn(C)c(C)c1CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1826851323 SFHQBKMIQYNNCV-BOSPYUDASA-N 497.577 2.478 10 20 JECD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)n1cccc1C=O 1827073992 XVIMLTNWYRYBTM-LPHOPBHVSA-N 490.651 2.342 10 20 JECD O=C(c1cc2cn[nH]c2cn1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428354 OXGRTIDZXAXPOY-IBGZPJMESA-N 450.499 2.311 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCCO1)CC2 1828192328 JPSMMTLZIWEFJE-IPMLQLIKSA-N 459.524 2.454 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3[nH]ccc3n1)CC2 1828244831 SJMRXHLWUBXOBS-SNVBAGLBSA-N 486.604 2.106 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccn(C)n2)CCO3)cc1 1834248589 CMZBLCODNFPIKB-SANMLTNESA-N 477.565 2.211 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CC(F)(F)F)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132635 AGXOTFCZUOBYEP-UHFFFAOYSA-N 479.503 2.303 10 20 JECD CN(C)[C@@H](C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1)c1ccc(Cl)cc1 1847055725 PKSAUPDILCCPJI-GOSISDBHSA-N 481.043 2.006 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2ccccc2[C@@H]1O 1847602227 HCSWVEUQVIBSCQ-MDANIDEXSA-N 464.518 2.314 10 20 JECD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(N(C)C)cc2)c1 25593076 OTUJVLKIEYVBLQ-UHFFFAOYSA-N 470.389 2.370 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 108805558 KWHWPGYXUMKLRX-UHFFFAOYSA-N 461.584 2.492 10 20 JECD CCOc1ccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1OCC 726976977 SXSVZVIGDAREEY-UHFFFAOYSA-N 468.597 2.197 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccnc3)cc2)C1 742355832 WYUAASZUYJTUHE-NOZRDPDXSA-N 485.588 2.441 10 20 JECD CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 913361307 QADBSGXIFNZLTD-CPZHOGDASA-N 495.648 2.352 10 20 JECD Cc1cc(N)nc(SCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)n1 913593544 ZSWQXLWWOZKWAJ-NVNXTCNLSA-N 489.604 2.206 10 20 JECD CNS(=O)(=O)c1cc(NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)ccc1C 915328014 CHBMDOJAPRXIKO-UHFFFAOYSA-N 475.615 2.246 10 20 JECD COc1ccc(S(=O)(=O)N2CCN(Cc3cc(C)cc(OC)c3O)CC2)cc1[N+](=O)[O-] 915831707 SCCACAUDSXMUQP-UHFFFAOYSA-N 451.501 2.133 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 918284518 IDZHRQYFYZHRPX-HXUWFJFHSA-N 457.502 2.475 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3N3CCN(C)CC3)cc2F)C[C@@H](C)O1 918286235 FXHYPGLADIQQST-KDURUIRLSA-N 483.588 2.446 10 20 JECD CCN(Cc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)=O 918436799 DTMJPCFLITYLJW-UHFFFAOYSA-N 470.545 2.410 10 20 JECD COc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 920889782 FSUYNWUIFOWMLY-QGZVFWFLSA-N 477.583 2.086 10 20 JECD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 920906098 TYSXDFGHWZMFGT-UHFFFAOYSA-N 462.418 2.447 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-c3ncc[nH]3)cc1)C2)c1cc(O)nc(O)c1 1777851979 VUCOHSILXMDKMT-KBMIEXCESA-N 477.521 2.324 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1782007965 QKBZCJUXIARANX-JOCHJYFZSA-N 456.886 2.156 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3cc4ccoc4cn3)C2)C1 1782186510 AUBPEGBMXQLXTN-RUZDIDTESA-N 473.489 2.064 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnc(F)c1)C2 1783218688 VHQLTWLDSYQSBQ-RVGDXEIMSA-N 471.485 2.178 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)[C@@H](F)c1ccccc1 1784902654 KSAGLPSSNUZRLP-NHTRMHBPSA-N 478.524 2.470 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@]1(F)CCCC=C1F)CCO2 1785511840 VTBHNXJWSBPXEU-BERBRYSFSA-N 464.465 2.392 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)CCO2 1785539743 HBDQOLXNJHCUTC-JKSBSHDWSA-N 494.038 2.134 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnc4ccccc34)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539726 RKFALIQRKIBMPU-JBUDQFAYSA-N 498.543 2.016 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787541609 WLKGAYHFYKLPCQ-NILFKCGTSA-N 487.560 2.258 10 20 JECD CN(C)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)cn1 1790243779 LIBLIZCZTMVNLC-QOKNQOGYSA-N 474.945 2.119 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCCC1(F)F)C2)C1=NN(c2ccccc2)C(=O)C1 1796480510 KXLRQKJLBVBNQA-VWFIUDSGSA-N 474.508 2.194 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1796935468 MWHRUSTVPSUTJX-GGPHIMKMSA-N 495.580 2.475 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncc(C(F)(F)F)c1 1798946887 OLSDQMRTZMZEHL-BTTYYORXSA-N 472.514 2.213 10 20 JECD O=C(COC1CCCCC1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1802912715 DFSGAOIKAXBXIA-HTAPYJJXSA-N 490.651 2.297 10 20 JECD Cc1cc(C)n(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)n1 1804291189 GJEYSGQNDNRVRD-QGZGNFAASA-N 454.527 2.358 10 20 JECD Cc1ncccc1CCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1804309366 NYDOYGKTRCJUDY-AUSIDOKSSA-N 497.646 2.284 10 20 JECD C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)O1 1809563186 ZNVBRAXTOBSQLV-GOWYFPOYSA-N 467.522 2.485 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)C1 1810546628 GRIKYPJZPSNWMU-GOSISDBHSA-N 470.570 2.129 10 20 JECD Cc1ncncc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1810969481 XDSCPNGSTOWYAE-NTKDMRAZSA-N 483.532 2.293 10 20 JECD O=C([C@H]1CCOC1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717762 XGHWQFYARHLCIA-SIKLNZKXSA-N 452.555 2.436 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)CCN3CCCC3)sc2C1 1828406890 HUJNDSOWNDUMJH-SGJXGLNRSA-N 472.567 2.371 10 20 JECD O=C(CCc1ccsc1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1834825851 DXJODBWFHLZCLM-UHFFFAOYSA-N 458.584 2.372 10 20 JECD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccc(O)cc1 1834987175 FPGYJRYIDIPRID-INIZCTEOSA-N 468.554 2.187 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)c3ccc[nH]3)CC2)CC1 1838442140 SWGFWGBGXKVNDN-GQCTYLIASA-N 455.511 2.457 10 20 JECD COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)CCO3)C2)CC1 1839348436 SKQRMMHQNIOOPE-AREMUKBSSA-N 495.576 2.117 10 20 JECD O=C(CNc1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434072 LLMMIDGSTQQCMH-HSZRJFAPSA-N 493.919 2.072 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 1842786423 IWPKEJKXZWWWAW-UHFFFAOYSA-N 451.401 2.451 10 20 JECD Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C3)n[nH]1 1844769020 NRWBWFPMFGGCHQ-KRWDZBQOSA-N 499.568 2.082 10 20 JECD Cc1ccn2c(=O)c(C(=O)N3CC4(CCCN4C(=O)c4cc(O)c(O)c(Cl)c4)C3)cnc2c1 1845501375 HQHXMGZMZNPCPT-UHFFFAOYSA-N 468.897 2.198 10 20 JECD O=C(C1CCN(Cc2ccccn2)CC1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034041 XCBKDPREDFSPSJ-SOFGYWHQSA-N 492.576 2.327 10 20 JECD COc1ccc(N2CCC(NC(=O)CCNS(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1 726627001 BZNXTRNGNGADIA-UHFFFAOYSA-N 459.568 2.351 10 20 JECD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1C(N)=O 727248071 BQLPVEHPSRTANW-UHFFFAOYSA-N 480.593 2.269 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@@H]3CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 729586244 FQSOWRXGLZSKRZ-CQOQZXRMSA-N 473.662 2.491 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCC(C)(C)N3CCC(OC)CC3)CC2)cc1 730829840 JZOHPPJEIRGLIB-UHFFFAOYSA-N 461.651 2.396 10 20 JECD CN(c1ccc(CNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1)C1CCCCC1 742417125 VBIHRTUZMQMTOY-UHFFFAOYSA-N 472.567 2.327 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc4c(c3)NC(=O)CS4)CC2)cc1 915743589 IBFUUZAKQLNMAV-UHFFFAOYSA-N 483.594 2.006 10 20 JECD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccc4nc(O)nc(O)c4c3)cc2F)C[C@@H](C)O1 917919236 WYNLRASSNQQBDG-CHWSQXEVSA-N 462.503 2.272 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 917929516 GHFGVYZCJVIDOG-CQSZACIVSA-N 452.920 2.428 10 20 JECD CCNC(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 918288943 YBZJJNYASHQDRG-IAGOWNOFSA-N 486.544 2.209 10 20 JECD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C2CC2)cc1 918455650 LNJBXVFEDFEADZ-UHFFFAOYSA-N 483.594 2.353 10 20 JECD C[C@@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)c1ccc(N2CCOCC2)cc1 920868696 JYNFSVSPHVYIPB-GOSISDBHSA-N 482.610 2.181 10 20 JECD COCCN1C(=O)/C(=C\Nc2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)C(=O)NC1=S 920974843 VFSYGWRBXDVDQT-ATVHPVEESA-N 494.982 2.326 10 20 JECD Cc1ccc(N/C=C2\C(=O)NC(=S)N(CC(C)C)C2=O)cc1S(=O)(=O)N1CCCCC1 920980602 QWHLTSDOHLQADD-SFQUDFHCSA-N 464.613 2.365 10 20 JECD COc1cc(OC)c(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c1 1780070597 QDOHSNWORMORJG-HOYKHHGWSA-N 489.500 2.090 10 20 JECD O=C(CCCc1ccncc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1785353309 LQFSNHZDZAMYCY-SSPYTLHUSA-N 489.576 2.177 10 20 JECD CCn1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c2ccccc21 1785508575 HXCHAACDSDZUIA-QTOANSKZSA-N 492.532 2.330 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccsc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537381 QYAHCGRCMGOPFU-QSFXBCCZSA-N 452.536 2.134 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC34CCCN3CCC4)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243744 HECDJEHCAHLDSH-KNBMTAEXSA-N 477.989 2.363 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4cncn4c3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245237 ZQOPZEDLHWWHGW-VHFSOBRXSA-N 470.913 2.306 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccc3)C[C@@H]21 1792218804 SBPNEYFELRWREL-IAKIHLPXSA-N 452.507 2.039 10 20 JECD COc1nccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1F 1796351795 JUTJBIUMJTYQBE-ACHSLPGTSA-N 465.485 2.274 10 20 JECD O=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(Br)CC2)C3)=NN1c1ccccc1 1796933180 XPWXAAJIKGZYBI-RBVVOMGSSA-N 459.344 2.345 10 20 JECD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)[nH]1 1803818203 NKQZWQOTCVCOTC-VJZFYYHCSA-N 463.494 2.263 10 20 JECD O=C(/C=C1\C(=O)Nc2ccccc21)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804285684 GXOXNBWMQCJWDM-RNPRSOSVSA-N 475.501 2.491 10 20 JECD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810550261 HCMSZXNAUWHOQS-ROUUACIJSA-N 457.527 2.093 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]1c1cccnc1 1814166260 PJQTXDKHCNQOPM-SLVXQMGRSA-N 479.533 2.485 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc(O)cc1 1814190045 PLUKOZXSQYBUDE-REDKUUPNSA-N 498.630 2.457 10 20 JECD Cc1noc(C)c1CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815711567 UOARJGXSTUXRNM-HNNXBMFYSA-N 476.584 2.110 10 20 JECD COC(=O)CSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145821 KGLUTCSUOKKFPF-SFHVURJKSA-N 498.565 2.101 10 20 JECD CCCC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146846 IXXFVIVQAUGZBD-OXJNMPFZSA-N 493.568 2.500 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708226 OJCAAODYSHPXQZ-MWLCHTKSSA-N 487.987 2.114 10 20 JECD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)n1ccnn1 1827717346 BNAMAASDCWFQRB-AVRDEDQJSA-N 477.569 2.252 10 20 JECD CC[C@@H](C)[C@@H](N)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1837851548 FNCPPDQXGDOIRM-PZPVZQRNSA-N 475.586 2.189 10 20 JECD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)c1ccc(O)cc1 1839170863 CCKIAHJFKRSHNK-IZHWHUGBSA-N 490.940 2.331 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ccc(OC(F)F)cn2)C1 1842275413 XTMNSSKKNZEIMV-UHFFFAOYSA-N 469.448 2.293 10 20 JECD COc1cc(OC)c(F)c(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1844708534 OOHLQGCPCVFUGT-FNORWQNLSA-N 472.469 2.490 10 20 JECD COc1ccc(N2CCN(C(=O)CNc3ccc(S(=O)(=O)N(C)C(C)C)cc3)CC2)cc1 103407942 NZZPONYSJTXDEX-UHFFFAOYSA-N 460.600 2.485 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)Nc3ccccc3N3CCCC3=O)nnc2n1 105346924 ZZDOXWWXDVYBDA-UHFFFAOYSA-N 455.548 2.241 10 20 JECD COc1ccc(N2CCCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(OC)cc4)C3=O)CC2)cc1 108427477 RDQDHLQREBEBGN-RUZDIDTESA-N 466.538 2.210 10 20 JECD COc1ccc(N2CCN(CN3C(=O)N[C@](C)(CCc4ccc5c(c4)OCO5)C3=O)CC2)cc1 725766386 RNROQQGLWKQTLJ-RUZDIDTESA-N 466.538 2.447 10 20 JECD C[C@H](OC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 915463399 YBUKLYHSLJNYIM-LBPRGKRZSA-N 496.472 2.433 10 20 JECD O=C(NCC(F)(F)F)C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 918220926 MEECLOIHFDMBRR-UHFFFAOYSA-N 460.472 2.387 10 20 JECD CCCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 918442156 GJZPSIZXDHEWMI-UHFFFAOYSA-N 452.555 2.290 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 918644006 QZRAHZKJCHVUHZ-UHFFFAOYSA-N 470.595 2.482 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cc4c(cc3O)OCO4)cc2F)C[C@H](C)O1 919452001 RUBGMMWGRFAIBG-KBPBESRZSA-N 460.458 2.347 10 20 JECD O=C(O)c1cc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cs1 919730183 SAGGBNUHJCISPS-UHFFFAOYSA-N 477.543 2.181 10 20 JECD CSCC[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 919859889 JOKDMZQSRBBNLU-PCCBWWKXSA-N 459.612 2.436 10 20 JECD C[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 920866738 IAZNPDOHRKIKCI-PMACEKPBSA-N 466.582 2.414 10 20 JECD COC(=O)/C=C\c1ccc(N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c([N+](=O)[O-])c1 931380072 PCCVTHYXBKEQCQ-OQFOIZHKSA-N 488.522 2.284 10 20 JECD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)N1CSCSC1 1779144328 CGXSQXHVHMGDOJ-RBZFPXEDSA-N 488.031 2.238 10 20 JECD CC(C)O[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783222341 OFZMIYMVJHMIPV-XSWYBDDVSA-N 462.543 2.144 10 20 JECD COc1cc(F)ccc1CC(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785511857 WNYMKTZAKRVPCT-OGPASDKVSA-N 486.496 2.037 10 20 JECD Cc1cc2cccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)c2[nH]1 1787291956 LLGSQVDJSZOIQA-SNRMKQJTSA-N 450.495 2.190 10 20 JECD CCn1nc(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790243505 RQPSVAOCYCTYQI-RFUYNDQBSA-N 462.934 2.183 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(C(F)F)n3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790244822 CNZIVQXIKGVTTO-PKWAYOAASA-N 470.860 2.250 10 20 JECD Cc1ncc(/C=C/C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)s1 1791736312 AJUVROXRPFQTCI-IITGDAGESA-N 485.562 2.275 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3cnn4c3OCCC4)CCC2)cc1 1792315037 XDXBILMCSQPZFM-UHFFFAOYSA-N 485.591 2.274 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc(-c2cc[nH]n2)cc1 1799700122 AYUPWFSLJUIFBB-VSICBGQDSA-N 490.516 2.110 10 20 JECD Cc1noc(C)c1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799767556 XWVZETZECHLXPP-YVWYUNDQSA-N 463.918 2.192 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC[C@H]3CCCC[C@@H]31)C2 1802103917 IGCAHIKETRAOGF-IGYPPAOUSA-N 479.668 2.043 10 20 JECD O=C(CC(=O)Nc1ccc(F)cc1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807224695 KFKFKSMCWSLUNT-UPCLLVRISA-N 493.495 2.375 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3cnccc3[nH]2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996418 RUTZYAXJGZPGFE-NYHFZMIOSA-N 458.478 2.398 10 20 JECD Cc1c(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)nc2ccccn12 1807996667 YYUCRPRDGZTNNJ-UZUQRXQVSA-N 472.505 2.477 10 20 JECD Cn1cccc1C(=O)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808470165 TYEOPZDEVGNJDY-DVECYGJZSA-N 498.543 2.102 10 20 JECD N[C@@H](C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1)c1ccccn1 1809792670 SKTZMUBPYOZEHW-HSZRJFAPSA-N 474.565 2.106 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccn2nccc12 1812153320 FCJLUQHCQQXIKO-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD Cc1nccn1CC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1812404692 PIVMHPFYTVYMQC-NBGIEHNGSA-N 485.548 2.085 10 20 JECD C[C@H](Cc1ccccn1)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1813288208 JHPCKZZLODETMZ-CDMIOBSGSA-N 497.646 2.222 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1c1cccnc1 1814161481 HETZKFKHQROCEY-OENDTSTASA-N 466.538 2.013 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1814197011 PROCXSYXDVMFAR-NVVBAYIOSA-N 489.532 2.026 10 20 JECD Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cn1 1815980421 NEFXGYIRIMGSDV-INIZCTEOSA-N 472.596 2.208 10 20 JECD COc1ncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cc1C 1816633645 HVBZZBZIWXRUIN-OAHLLOKOSA-N 488.595 2.288 10 20 JECD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1)n1cncn1 1818147973 SJDQEZWFZNUOCO-KXBFYZLASA-N 475.513 2.047 10 20 JECD CC(=O)Nc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)o1 1819400837 VDWNWIHYHMFSAT-ZDUSSCGKSA-N 490.567 2.127 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1cc(Cl)c2nncn2c1 1819678550 AWCPUTLQUUWVOZ-NSHDSACASA-N 485.913 2.185 10 20 JECD Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)nn1C(F)F 1820291581 SSGWXTUAPUIVGC-ZDUSSCGKSA-N 497.553 2.476 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cncc4cnccc34)sc2C1 1821218050 NPJPFRLZPWMFPP-LBPRGKRZSA-N 498.615 2.172 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3nccc-3c2)[nH]n1 1823498826 WFXREUJDWVNVRL-HNNXBMFYSA-N 483.579 2.404 10 20 JECD N[C@@H](Cc1cscn1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823710851 MWWFCLPJLIVJAM-GWCFXTLKSA-N 493.998 2.460 10 20 JECD COc1cccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)n1 1825112258 WWEPVZQOVIRLAK-LJQANCHMSA-N 454.527 2.372 10 20 JECD Cc1ncncc1C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828198185 UNEGJPWADFYHQX-MXPWBENCSA-N 467.507 2.298 10 20 JECD CC[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)N(CC)CC 1828239709 DBPOVSODTROPCE-TZMCWYRMSA-N 483.685 2.036 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCc3ccoc3C1)CC2 1828241810 CPBFYKRCPIUPAS-OLZOCXBDSA-N 490.632 2.314 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1[nH]cc3c1CCC3)CC2 1828247533 XLVBYQUFAMEZPA-LLVKDONJSA-N 475.621 2.046 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1ccc[nH]1 1835866082 HPLZAQKPDQVGPR-GQCTYLIASA-N 454.527 2.030 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)cc1F)CCO2 1840764762 VPLXGNXBGSKHOS-NRFANRHFSA-N 499.417 2.035 10 20 JECD Cc1ncc(C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C3)[nH]1 1841714800 PTIOYFCSIZKBSJ-QGZVFWFLSA-N 499.568 2.082 10 20 JECD O=C(Cc1ccc(OC(F)(F)F)cc1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056375 CKNFCJQGNWLYCF-UHFFFAOYSA-N 487.525 2.191 10 20 JECD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O 1847655560 GRZNJJLOOGMVPZ-CVVZRKFHSA-N 455.423 2.233 10 20 JECD Cc1cc(C(=O)COC(=O)Cc2ccc3c(c2)OCCO3)c(C)n1-c1ccc(S(N)(=O)=O)cc1 24853430 PNEFTAHOZJXSGX-UHFFFAOYSA-N 484.530 2.481 10 20 JECD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726566039 XCRFGPBRBQQWMU-UHFFFAOYSA-N 498.552 2.046 10 20 JECD COc1ccc(OCc2nc(/C=C3/SC(=S)N(CCNS(C)(=O)=O)C3=O)cs2)cc1 727177101 WLSYRHRQXGYLAL-OQLLNIDSSA-N 485.634 2.481 10 20 JECD CS(=O)(=O)NCCN1C(=O)/C(=C\c2ccccc2I)SC1=S 727178141 SOCWOPSITLJEGA-DHZHZOJOSA-N 468.363 2.042 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)c1 729062801 FIEPMPYIQZVELN-OAHLLOKOSA-N 492.598 2.313 10 20 JECD CN(Cc1nccn1CC(F)(F)F)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 729598799 KPQVGDMSWDFAPT-INIZCTEOSA-N 452.481 2.489 10 20 JECD Cc1cccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)C2=O)c1 730749851 VNYFEIKGFUAKGK-FQEVSTJZSA-N 454.502 2.492 10 20 JECD CCOC(=O)N[C@@H]1CCCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 917057083 LDLVCAOBFFIOAR-JENIJYKNSA-N 450.555 2.266 10 20 JECD COc1ccc(N2CCCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 917088390 UMNMLWAYKDZBAO-UHFFFAOYSA-N 456.562 2.499 10 20 JECD Cc1cc(C(=O)COC(=O)C(=O)c2cnn(C(C)(C)C)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 919432933 OELLAHJOBKMMNA-UHFFFAOYSA-N 486.550 2.302 10 20 JECD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 920926473 PJYWMQGQXSQLNJ-MRXNPFEDSA-N 454.527 2.050 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cnc2c(Cl)cccn12 1777790443 KRCBKFFJPSMUPM-UZUQRXQVSA-N 485.928 2.235 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cc4cccn4cn3)C2)C1 1778050628 IAMQBRWSMBBRDX-QFIPXVFZSA-N 456.886 2.156 10 20 JECD COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)nc1 1778387800 JIPIJWGJWJBTFG-ATIYNZHBSA-N 491.548 2.011 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3ccncc3Cl)C2)C1 1779474886 FIYBKPRWFUVLOV-WYAMSBGYSA-N 459.886 2.009 10 20 JECD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccc(O)cc1 1781263787 BXDQPWQBHFJFPN-GPGOVWBRSA-N 468.506 2.156 10 20 JECD O=C(/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)NCc1ccccc1 1782003947 PIZXTZDSARZZTE-NPJCXYKHSA-N 499.951 2.067 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1782006984 DSWDUPKIQPAVIV-NRFANRHFSA-N 483.855 2.065 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)[C@H]1CCc2ccccc21 1782310743 SRHQBXIMWIXFAA-XLNZFTOWSA-N 487.647 2.091 10 20 JECD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N1CC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1783247590 JZIMYVNAHZPVAB-YVDDDVPZSA-N 464.566 2.436 10 20 JECD CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)CCCC1 1783636953 FLWCJXKDOAMHMZ-CUWPLCDZSA-N 452.555 2.339 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)[C@H](F)c1ccccc1 1784902655 KSAGLPSSNUZRLP-UYLMIGBBSA-N 478.524 2.470 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(F)CCCCC3)[C@H]2C1 1788167019 WKDLNISNIJMORZ-CUWPLCDZSA-N 470.545 2.431 10 20 JECD C[C@H](NNc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1792587598 XYQHLIQIGPSIJP-BZNRXQDOSA-N 474.565 2.423 10 20 JECD CCOc1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796480793 OUMDLBRMYHHDBR-MRSFGVLCSA-N 476.533 2.081 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nccn2c1)C1=NN(c2ccccc2)C(=O)C1 1797621465 QTFDMMIGMPBJTK-FNLKRUPLSA-N 456.506 2.379 10 20 JECD COc1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799620062 NAGRNXUFMXTBRJ-VTYHHJSWSA-N 475.549 2.410 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C2 1802078856 KMBNJXJSEIQCNO-QMTYCMNYSA-N 482.508 2.349 10 20 JECD CC(C)(C)OC(=O)N1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)CC1 1804591491 JRBRMFBWHPNOSD-BCDXTJNWSA-N 474.558 2.392 10 20 JECD NC(=O)c1ncccc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811797674 HGRNFWSGZMSEPJ-VLIAUNLRSA-N 495.923 2.274 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3c[nH]nc13)CC2)c1cc(O)nc(O)c1 1816726304 VMBAIMMJJUEXPX-LBPRGKRZSA-N 450.480 2.365 10 20 JECD O=C(CC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)Nc1ccc(F)cc1 1816727243 IDSADEGKOBXCFF-AWEZNQCLSA-N 485.497 2.343 10 20 JECD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816727427 UPBDQZQCIGITRK-ABAIWWIYSA-N 499.524 2.133 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccc4c[nH]nc4c3)sc2C1 1816802619 ULWYVVGLEGLMNL-GFCCVEGCSA-N 486.604 2.106 10 20 JECD Cc1nccn1[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822886232 ZGVMRBHHQRUAMB-DOMZBBRYSA-N 475.600 2.028 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccc(O)cc3F)sc2C1 1823348975 CHXUMIWPSQVVTC-VIFPVBQESA-N 480.568 2.074 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2noc3c2CCCC3)[nH]n1 1823498031 LTCQBAZUDMJOMW-AWEZNQCLSA-N 488.595 2.443 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1831477988 GSMDTVKQFVIRKS-HHHXNRCGSA-N 496.608 2.079 10 20 JECD O=C(/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)NC1CC1 1832876260 GPDAKZQBHNHDJT-MTLGCUBSSA-N 483.565 2.271 10 20 JECD C[C@@H]1C[C@]1(C)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835133818 BIPZTBWGVYPVGQ-DWXRJYCRSA-N 465.598 2.397 10 20 JECD O=C(c1cc2sccn2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434203 UMBWDJDOHVDDSV-QFIPXVFZSA-N 491.953 2.449 10 20 JECD Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1840881199 ICUHJSSYBXRXEK-CIFMFNLYSA-N 486.496 2.034 10 20 JECD C[C@H](CC(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)NC(=O)OC(C)(C)C 1843379700 GSQBXMNLOYXFDI-LOWQCSRCSA-N 475.542 2.323 10 20 JECD Cn1cc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c(C(F)(F)F)n1 1847038216 FIKQXGQXCWEGSE-GQCTYLIASA-N 466.416 2.086 10 20 JECD O=C(c1cc(F)ccc1OC(F)(F)F)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055490 LKHPMMGFMJFMCB-UHFFFAOYSA-N 491.488 2.402 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1cnc[nH]1 1848167872 BSNCTOCTQPLSEJ-FSSWDIPSSA-N 496.612 2.262 10 20 JECD COc1ccc(N2CCCN(C(=O)CN(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 108430830 HDMBGGJMSFWDDE-UHFFFAOYSA-N 474.583 2.013 10 20 JECD COc1ccc(N2CCC(NC(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)CC2)cc1 110472674 CXMJLBRNLJUYDX-UHFFFAOYSA-N 458.584 2.276 10 20 JECD COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(CCNS(C)(=O)=O)C3=O)o2)cc1 727178321 VIERASFEDMEZLF-WJDWOHSUSA-N 466.562 2.484 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CC2)cc1 727367483 SDDGOEIQYCFION-UHFFFAOYSA-N 456.499 2.317 10 20 JECD CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)O)c1 728015185 KDQMEQJONRSPHD-UHFFFAOYSA-N 456.498 2.379 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3cccc(N4C(=O)CN(C)C4=O)c3)CC2)cc1 743299941 WKOBOSSBEHUOIB-UHFFFAOYSA-N 466.542 2.037 10 20 JECD COc1cccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c1OC 746948639 CWSWATSJTSWDKT-UHFFFAOYSA-N 468.554 2.208 10 20 JECD CCN(CC)c1ccc(CN(C)CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 759643670 OLGMJJKGSIGXLV-VXKWHMMOSA-N 451.633 2.159 10 20 JECD NC(=O)[C@H]1CCCCN1C(=O)COC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 913361255 OZVZQZQIZUJCBJ-XDPMZMSMSA-N 481.621 2.139 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NC3CCN(C(=O)c4ccoc4)CC3)CC2)cc1 916196905 RTVCPQKSCYFIOA-UHFFFAOYSA-N 469.586 2.404 10 20 JECD CCS(=O)(=O)NC1CCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])CC1 917060534 WHYYIIUUPMSUCL-UHFFFAOYSA-N 467.298 2.182 10 20 JECD COc1ccc2cc(C(=O)N3CC[C@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)[nH]c2c1 1777773039 OBEAVBYHUAKMSJ-KCROQMHPSA-N 493.516 2.450 10 20 JECD Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1[N+](=O)[O-] 1777852718 QPEYQSQWRFIUMT-NTKDMRAZSA-N 484.509 2.080 10 20 JECD Cc1ncc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)cn1 1781121098 DHKGHLIFPUKYNM-XMSQKQJNSA-N 460.918 2.291 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4[nH]nc(C(F)(F)F)c4c3)C2)C1 1782528023 NZSRRCNNTGOWMC-NRFANRHFSA-N 491.426 2.145 10 20 JECD O=C(Cc1ccc(F)cc1F)N1CC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1783376809 OPUFQPLUNPQFJQ-RUZDIDTESA-N 482.487 2.130 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1cc3cc(F)ccc3s1)CCO2 1785541055 RGHJADMOGAXTGA-OAQYLSRUSA-N 493.607 2.344 10 20 JECD COc1cc(Cl)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)c1 1787294556 PWTLJDXRQKAYES-IGNZVWTISA-N 461.902 2.062 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1797796738 APGDLDXVEFBZIW-MDMSPXHWSA-N 492.548 2.340 10 20 JECD O=C(/C=C/c1cccnc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1804637152 FOMAPAZRCYQRTO-IHMXKHASSA-N 481.603 2.056 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnc3ccc(F)cn23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001868 YYNKGSJZAGMSHE-QRQCRPRQSA-N 476.468 2.308 10 20 JECD O=C1Cc2cccc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c2N1 1812209222 BWOFCFFAHRETNH-HJPURHCSSA-N 473.489 2.016 10 20 JECD Cn1cccc1C(=O)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813477692 QDQUFBOIVNFYDT-DVECYGJZSA-N 498.543 2.102 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)C1=COCC1 1813596948 VOYAIFODGGNXPJ-NWWLCNQNSA-N 451.479 2.222 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccnc(Cl)c2)[C@H]1c1cccnc1 1814186446 PGEOLRITYOYCOO-BEFAXECRSA-N 490.010 2.310 10 20 JECD O=C1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CN1 1814524317 FZGRWWNJANXTDR-XHDPSFHLSA-N 461.906 2.306 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1c[nH]c3ncccc13)CC2)c1cc(O)nc(O)c1 1816726368 XMJZKXSFFQKCAG-NSHDSACASA-N 450.480 2.365 10 20 JECD CN(C)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823496246 IWSWPKLCAHPVQH-INIZCTEOSA-N 487.611 2.037 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)C2=CCCS2)[nH]n1 1823497539 WTCUUDYMZBFPNT-LBPRGKRZSA-N 451.599 2.283 10 20 JECD COC(=O)C12CC(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)/C=C/c3ccc(O)c(O)c3O)CC4)(C1)C2 1825559918 DMTSYXMKFWFLBC-WHLZTZBZSA-N 499.545 2.229 10 20 JECD O=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)C1CC1 1827715511 VLISSPZHXXHPCX-NRFANRHFSA-N 450.539 2.378 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)CCCc1cccnc1)CC2 1828250374 REMVQFCURQEOPQ-CQSZACIVSA-N 489.648 2.333 10 20 JECD CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1828899214 ABKATJCLWWXZOA-QQOLHMHLSA-N 495.532 2.289 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccn4ccnc4c3)CC2)CC1 1838029705 CSNMOTLSXNCMEB-UHFFFAOYSA-N 465.510 2.067 10 20 JECD O=C(c1c[nH]c2nccc-2c1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031580 RHLFGXKVFBAGOX-UHFFFAOYSA-N 465.510 2.247 10 20 JECD O=C(c1ccc(Cl)nc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432390 MLTKBQLISITNGV-OAQYLSRUSA-N 482.320 2.183 10 20 JECD CC(C)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)CCC1 1840615332 HNJXRLCMHVEUJN-COIATFDQSA-N 474.554 2.099 10 20 JECD O=C(Cc1ccc(Br)c(F)c1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250861 WHEIUSNEHJDDIF-UHFFFAOYSA-N 464.291 2.454 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1846200936 ZREPOLVGMAPSKH-FQEVSTJZSA-N 495.580 2.382 10 20 JECD CC(C)OC(=O)c1ncccc1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034024 VKYLVMJUQSFFBX-VQHVLOKHSA-N 481.505 2.294 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CC(c3ccccc3)=NO2)=NN1c1ccccc1 1847760467 KVFQPJJWEFAUSJ-VABKMULXSA-N 471.517 2.174 10 20 JECD O=C1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(O)c(O)c(Cl)c2)CN1C1CCCC1 1848043179 NMTOJTURDRNAKF-WBAXXEDZSA-N 461.946 2.358 10 20 JECD COc1ccc(N2CCC(NC(=O)N3CCN(S(=O)(=O)c4c[nH]c5ncccc45)CC3)CC2)cc1 726713354 MZAVBFZBEUAAAS-UHFFFAOYSA-N 498.609 2.256 10 20 JECD CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 743432787 RPRHTMOEWKIZHE-LJQANCHMSA-N 481.597 2.100 10 20 JECD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 746177509 OJVUAFZOMPLGGL-UHFFFAOYSA-N 490.492 2.468 10 20 JECD O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1 747148266 TZHWMRPDVCRZQN-JTFWXBGUSA-N 470.576 2.292 10 20 JECD Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1ccc(N=Nc3ccccc3)cc1)c(=O)n2C 825374740 AUQDOHKDTZOSKO-UHFFFAOYSA-N 475.465 2.031 10 20 JECD C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O 857491316 UDZMCOBJPWYNKG-AWEZNQCLSA-N 467.569 2.137 10 20 JECD O=C(COC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NC[C@H]1CCCO1 913361872 JOOSZPJYBXFODX-VLHYRRCOSA-N 499.408 2.489 10 20 JECD C[C@H](OC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C(=O)N1CCC(C(N)=O)CC1 913362748 XEHQPAFAURGTIL-WIOAZZGGSA-N 495.648 2.385 10 20 JECD C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 915408877 KKGQMYJPLBNTNN-ZDUSSCGKSA-N 495.513 2.224 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cccc(NC(=O)C4CC4)c3)CC2)cc1 915744976 XTRRXQAQXPRUAO-UHFFFAOYSA-N 479.581 2.311 10 20 JECD Cc1cc(C(=O)NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c(C)n1-c1ccccc1Br 916788465 BYQBVWPRLVISJA-UHFFFAOYSA-N 479.356 2.413 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cn(-c2ccccc2Br)nn1 918337063 CZRHVGGUDTVHNM-UHFFFAOYSA-N 490.383 2.195 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C(=O)c3cnn(C(C)(C)C)c3)cc2F)C[C@H](C)O1 919432759 RBVDDNIRQJLRLA-HOTGVXAUSA-N 474.533 2.433 10 20 JECD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)C[C@@H](C)O1 919766818 XLDVRWCKNYHFOI-KDURUIRLSA-N 473.595 2.251 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cnc4ccccn34)C2)C1 1777824012 CZDOZXFBSXZNMU-JOCHJYFZSA-N 456.886 2.156 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)cc1 1784037962 HHRQDVLMCMPFQK-HFZDXXHNSA-N 464.566 2.064 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C[C@@H]21)c1cc(O)nc(O)c1 1787292102 UQPGUXDIJGJADK-WBAXXEDZSA-N 479.455 2.348 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)C[C@@H]21)c1cc(O)nc(O)c1 1787292412 OYCZXZAFLOPPFP-IQOMPXODSA-N 455.486 2.029 10 20 JECD Cc1cc(-c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)nc(O)c3)n[nH]2)ccc1Cl 1796138299 SZIIEMHOTZSEGF-MFKICJERSA-N 497.939 2.362 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2snnc2c1 1799200231 YHPBNPFWBOBNJE-BPQKRJORSA-N 467.507 2.168 10 20 JECD COc1ccc(OCC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1802816225 ZHBLOVSWXZNLMK-XDHUDOTRSA-N 478.505 2.295 10 20 JECD COCC1(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)CC1 1803537243 GZSLMVGXMAOKMR-XXBNENTESA-N 475.549 2.307 10 20 JECD Cc1ncoc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1805860660 WVXFFKQTIBWICM-GCJKJVERSA-N 472.505 2.491 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803899 OMCCFWPKXTWZSN-XOBRGWDASA-N 455.902 2.432 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)n1cccc1 1814191822 NGVHPHAFDQWDTD-WRWLIDTKSA-N 471.608 2.010 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1818127627 ACYDPWPQJQOBDC-QWYCDTIGSA-N 471.514 2.099 10 20 JECD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1)N1CCN(C)CC1 1821295050 YRKYQVINFCCPRK-KDOFPFPSSA-N 490.992 2.416 10 20 JECD CCOC(=O)C1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)CC1 1824869348 RJJMQLWVGBFSFL-GBVBUYCNSA-N 487.534 2.229 10 20 JECD Cc1cccc(/C=C/C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)n1 1833064515 KBTHRUUNEDQZDF-AATRIKPKSA-N 465.554 2.095 10 20 JECD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)n1ccnc1 1833379214 OBVPBTKSBNTALC-OAHLLOKOSA-N 475.977 2.394 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2cncnc2)C1 1842484522 ZGEYKXLJVSEAGI-HXUWFJFHSA-N 480.569 2.012 10 20 JECD Nc1nc2cc(C(=O)N3CC4(CCCN4C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)ccc2s1 1843441950 KDVHWJURZQGMGR-UHFFFAOYSA-N 474.546 2.488 10 20 JECD COC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1847863606 GKQVKMQXPPYFKZ-DBOLQNLKSA-N 474.602 2.189 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCN3C(=O)Cc3ccccc3)CC2)cc1 742917235 UMISVUAKMRZWPA-XMMPIXPASA-N 450.583 2.167 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3cccc(CN4CCC[C@@H]4C(N)=O)c3)CC2)cc1 742928686 ZTOYLHYDAMDPCS-XMMPIXPASA-N 480.613 2.089 10 20 JECD CCS(=O)(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 748055213 GCFDUZMHTDVNEI-SQFISAMPSA-N 473.667 2.223 10 20 JECD O=C(CCNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NCc1ccccc1 748336600 VWTSBXCHTLSUBN-UHFFFAOYSA-N 491.571 2.448 10 20 JECD Cc1cc(C(=O)COC(=O)CCn2cc(S(N)(=O)=O)cn2)c(C)n1-c1ccc2c(c1)CCC2 749324907 AOHKNZVZEJRBBY-UHFFFAOYSA-N 470.551 2.243 10 20 JECD Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1S(N)(=O)=O 913243493 MNJQAPFKZUHIPO-UHFFFAOYSA-N 478.482 2.213 10 20 JECD Cc1cc(C(=O)COC(=O)COc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 914910635 LETCGUUMMPNMPO-UHFFFAOYSA-N 487.490 2.455 10 20 JECD O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 917380511 BYCHENUIPGZBHQ-UHFFFAOYSA-N 488.466 2.430 10 20 JECD COc1cc(F)c(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1OC 917929356 FDIARFQMOYWVJB-HNNXBMFYSA-N 451.520 2.023 10 20 JECD CN(Cc1ccccc1O)C(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 918444668 YEPVJFJQUWIBAH-UHFFFAOYSA-N 457.552 2.115 10 20 JECD C[C@H](OC[C@@H]1CCCO1)C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 921094647 FWFKQOKPASHSCH-VXNCWWDNSA-N 452.523 2.183 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1778253442 XWCBXCCABKXSGI-XXBNENTESA-N 458.898 2.198 10 20 JECD COc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)n1 1783219918 IVBBBXHCKNWRCN-RBYHXMTESA-N 483.521 2.048 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4ccccc4O3)C2)C1 1783845410 JZVHYJCWIFTOBY-IZNZOLKSSA-N 480.517 2.040 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cc(F)ccc1F)CCO2 1785507500 QDTNDVIDCLRCRZ-VWLXRYFESA-N 460.433 2.239 10 20 JECD CCC[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)n1cccc1 1785508862 KPTBDAXKTSCJFU-OIIQEJIVSA-N 469.538 2.489 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CSC(=N)N)[C@H]3C2)cc1 1786778476 ZJUYSOQSJLADCP-JBACZVJFSA-N 469.611 2.314 10 20 JECD Cc1sc(-c2ccccc2)nc1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1793978986 DXXIKWPAOMAHHI-FEJSZKPUSA-N 494.573 2.371 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)[nH]n1 1799384630 GPOQWDNRQYBCOD-MUJYYYPQSA-N 469.592 2.189 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc(Cl)c(F)c1 1799477392 MGVJRCBUPMBARI-MFKICJERSA-N 484.915 2.475 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnsn2)C3)cc1 1799620107 PNNGEZSAXIASQF-RMFSNUHRSA-N 451.552 2.463 10 20 JECD CC[C@H](C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1803620263 XCNBMKGJDHLIHB-IUOPVHLWSA-N 469.538 2.325 10 20 JECD COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c(Cl)c1 1804340515 SPBSRXYSCPUOHJ-CLLJXQQHSA-N 468.000 2.461 10 20 JECD CC(C)(O)CC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1806776053 DYMGOFPRHFNKMT-JPYJTQIMSA-N 463.538 2.041 10 20 JECD Cn1cc(CCC(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cn1 1807427143 NQLRSKVBRGTBDB-RLWLMLJZSA-N 499.575 2.247 10 20 JECD Cc1noc(C)c1CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807993876 PBUAEBPKCGFICD-SBUREZEXSA-N 465.510 2.445 10 20 JECD Cn1ncc2c(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)cccc21 1807996567 VJZMEMNNVZLUBT-WAIKUNEKSA-N 472.505 2.408 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)Cn2cc(Cl)cn2)[C@@H]1c1cccnc1 1814162579 MFTORLXMSGBPSN-OUWGLZAPSA-N 497.939 2.468 10 20 JECD Cc1cnn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)c1 1815754924 CKDTVBCZCQITOT-HNNXBMFYSA-N 477.550 2.053 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822816182 WVYFSYPVXMCLOX-DYVFJYSZSA-N 452.471 2.384 10 20 JECD O=C(c1cnn2ncccc12)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827426526 YOFZVRFLXQBDHS-GOSISDBHSA-N 450.499 2.083 10 20 JECD O=C(c1cnc2[nH]ncc2c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427637 NOOBDKGDWBSKOG-SFHVURJKSA-N 450.499 2.311 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)C(=O)c1ccco1)CC2 1828195716 SYTKCYFXDKJZAZ-WNPFHQFXSA-N 469.475 2.361 10 20 JECD CO[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)c1ccccc1 1828242233 FOZWARUPIPOUQG-ACJLOTCBSA-N 490.632 2.303 10 20 JECD Cc1n[nH]c(C)c1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1830438952 IWYBUFLSZNNQNK-SFHVURJKSA-N 477.656 2.049 10 20 JECD Cn1ccnc1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876154 CRQBFBFPQJMPLT-JHTBKMLMSA-N 454.527 2.484 10 20 JECD Cc1nccn1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1839348308 MGDZNBFTYSMQKD-MHZLTWQESA-N 491.592 2.369 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnn(C)c4)C3)C2)cc1 1839349055 BCCZPJBFTONARK-MHZLTWQESA-N 491.592 2.140 10 20 JECD O=C(Cc1cccnc1Cl)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432171 FSDPWKDYPKDJLH-JOCHJYFZSA-N 496.347 2.112 10 20 JECD C[C@@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)O1 1843880863 LWNSLXFFSRWKSJ-DUXKGJEZSA-N 486.613 2.476 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(N4CCCC4=O)c(OC)c3)nnc2n1 105609184 SXXALDMIUVDQMY-UHFFFAOYSA-N 485.574 2.249 10 20 JECD COc1ccc(N2CCC(NS(=O)(=O)c3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1 726602399 XSRMBRREZOKKOF-UHFFFAOYSA-N 459.568 2.115 10 20 JECD CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)C1 754548802 QNCSBGYCZFFARZ-UHFFFAOYSA-N 463.490 2.480 10 20 JECD CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 864358096 ISVAOVNSFZVXCD-AWEZNQCLSA-N 496.563 2.213 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCCN(C[C@@H]4CCCO4)CC3)cc2F)C[C@@H](C)O1 917052733 MLDBSACXANVNNT-SJBKTWHCSA-N 462.610 2.242 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)cc2)C1 918030435 LSCVFXZHZQCZJG-QGZVFWFLSA-N 471.583 2.151 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 918311339 VVFXZSLNBWCGCF-UHFFFAOYSA-N 481.597 2.401 10 20 JECD Cc1cc(C)c(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)c1 918370893 CSMJSOSKQYATJF-NRFANRHFSA-N 486.638 2.298 10 20 JECD CCNC(=O)CN(C)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 918638880 VTFRCBRSMHZPRX-MDWZMJQESA-N 456.387 2.245 10 20 JECD O=C(COC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)NCc1ccc(N2CCOCC2)c(F)c1 918825805 SFAVXKYSZUHISG-UHFFFAOYSA-N 496.539 2.239 10 20 JECD Cc1cccc(N2C[C@H](C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2=O)c1C 918983187 CAOSFIGLYNWUQZ-HXUWFJFHSA-N 483.540 2.492 10 20 JECD CN1Cc2ccc(NC(=O)C(=O)NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)cc2C1 919799893 JMRPNFOYKSLARR-UHFFFAOYSA-N 489.555 2.143 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cnnc4ccccc34)C2)C1 1777728593 YFRAVMIWWAIWPS-HSZRJFAPSA-N 468.897 2.452 10 20 JECD COC(=O)c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c(C)c1 1777851614 LFRVYZRGOQSBEC-KBMIEXCESA-N 483.521 2.029 10 20 JECD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c(C)c1 1780868525 AAGCHNPBFPZQSN-HATBAZKYSA-N 468.506 2.277 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)cc1 1781750399 GGEYUKXJNJFTEE-NSYGIPOTSA-N 452.555 2.049 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1CCCCO1)C2 1783218397 NQBPVCKYQGDEQS-XFVSAWPESA-N 474.554 2.290 10 20 JECD COc1ccccc1CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785503969 VVRFTAJXHOQLJO-MUNMYPBESA-N 482.533 2.288 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)CCc1ccccc1F)CCO2 1785510151 FJFYOFVUGHBUDR-HJKZNEBBSA-N 470.497 2.418 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccnc(C(F)F)c1 1785521810 BUNKCILOLBWEEA-MDKPJZGXSA-N 497.502 2.405 10 20 JECD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1785563228 YTCCDBXMHRASBP-MYYSRTQBSA-N 487.940 2.013 10 20 JECD O=C(CC1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1786315827 ZBPNRXNTJVNQDR-VCOUNFBDSA-N 452.555 2.339 10 20 JECD Cc1cncc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1 1787537353 PRDXCLZMMXDJED-SSPYTLHUSA-N 489.576 2.095 10 20 JECD O=C(Cc1cccc2ncccc12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1793329639 IXNDEGLVCDLZFI-KYZQAEAJSA-N 489.528 2.197 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cnc2snnc2c1 1796934755 RLMGHHLEMXUKSW-ACHSLPGTSA-N 475.534 2.131 10 20 JECD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)cccc1C(F)(F)F 1801846065 FPGQJHQJHQPRBC-HBCWATKFSA-N 465.428 2.337 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1cc(=O)cco1 1806125760 AJMMRUDGYZYOOD-KOSHJBKYSA-N 485.500 2.147 10 20 JECD COc1ccc(COCC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1808000114 XACZCRDIKMGWRF-UQBPGWFLSA-N 492.532 2.433 10 20 JECD C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)O1 1809559836 SFKGNPPLCIHBBG-PDKZGUECSA-N 475.549 2.448 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N3CCC4(CCCN(C(=O)c5cc(O)nc(O)c5)C4)CC3)c21 1810546644 KWUHMLZOOWRIEQ-UHFFFAOYSA-N 465.510 2.244 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)C1=COCC1 1813590036 VPRVVLQCHBRVDK-JPYJTQIMSA-N 459.506 2.185 10 20 JECD Cn1cc(CCC(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cn1 1814162997 UMKHFAYPDGCZKJ-PAQDKISJSA-N 491.548 2.284 10 20 JECD CC(C)(C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccn1 1814192172 SHIPEVPWKBOBFL-LAUBAEHRSA-N 497.646 2.321 10 20 JECD CNc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)cc1 1814883295 DECULEDNLVQOMF-CYBMUJFWSA-N 475.621 2.271 10 20 JECD C[C@H](Nc1cccnc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1814993460 PMNKQNNQXHPAPQ-AAEUAGOBSA-N 454.512 2.071 10 20 JECD O=C(Cn1ccccc1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1815451873 WVYAYZLKSBTJHZ-GFCCVEGCSA-N 474.926 2.295 10 20 JECD CC[S@@](=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1819510791 QEGWPNYNRIYTOA-LHRCYKKBSA-N 487.607 2.007 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821291624 WHAGNGYIQVTNNR-IAQYHMDHSA-N 484.962 2.461 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC3)cc1 1823440636 UQWNXLQPKAULKV-IEBWSBKVSA-N 494.621 2.369 10 20 JECD Cc1nc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)no1 1823476641 KSZFUPNWNKNAJH-VFADXPBXSA-N 468.470 2.166 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2ccnn2c1 1824190047 GQXNUMNMSKVGJD-CYBMUJFWSA-N 450.480 2.137 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CNC(N)=O)sc3C2)cc1 1828325740 FVIDBNHAPVBTEH-MRXNPFEDSA-N 466.567 2.445 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cncc2F)CC1 1829408905 SYPOAJTYPGQKMA-MRXNPFEDSA-N 482.578 2.453 10 20 JECD O=C(c1cnc(O)nc1O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830736443 DFSUKJJNAXZCJB-MRXNPFEDSA-N 476.917 2.500 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1ccns1 1834053150 LAZUTJCKGYYCJJ-UHFFFAOYSA-N 480.594 2.121 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cncn2C)CCO3)cc1 1834328597 LGDWZWSBFPVQRD-SANMLTNESA-N 477.565 2.211 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C(F)(F)Cl)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835133980 RBGXSMVHDPCSBU-UHFFFAOYSA-N 481.931 2.183 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccn(C)n4)CCO3)C2)cc1 1836062691 SVFKBFFMSGZSEO-MHZLTWQESA-N 491.592 2.140 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cc(F)ccc3s1)CCO2 1836954686 CNQBKMXLVAESGP-HSZRJFAPSA-N 487.509 2.230 10 20 JECD O=C(COc1cc(Cl)ccn1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838029709 DHNMEUVYGKHJLM-UHFFFAOYSA-N 490.944 2.232 10 20 JECD O=C(Cc1cc(F)cc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434195 UEDSTHIOLRENHM-QHCPKHFHSA-N 496.894 2.342 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cc(Cl)nc3n[nH]cc23)C1 1843206531 BQDTVQFXFTXIAC-HWKANZROSA-N 469.885 2.259 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cnc(C(F)(F)F)cn2)C1 1843213359 NDTMHPONCCFVAI-HWKANZROSA-N 464.400 2.143 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(Br)cc23)C1 1843262756 BVEHLLDZIGTITF-UHFFFAOYSA-N 472.299 2.262 10 20 JECD C[C@@H](C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1)[S@](=O)c1ccccc1 1843442626 XCBSCJZZPFRCMO-FFZYEISDSA-N 478.574 2.179 10 20 JECD CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C1=O 9945840 DAMPFOORVAWQAT-XMMPIXPASA-N 469.494 2.312 10 20 JECD CC(=O)N1CCN(c2ccccc2CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 726103764 PCLSCOMNVPHFRH-UHFFFAOYSA-N 483.588 2.455 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)CC2)cc1 726725403 BYOFMIKHLGBXKD-UHFFFAOYSA-N 474.583 2.106 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 728945632 CMVGUFRIJVRWJZ-QAPCUYQASA-N 463.556 2.419 10 20 JECD CCC1(CC)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1=O 753971915 TWYICEQEXBSQNP-CQSZACIVSA-N 491.500 2.443 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2)o1 784100060 UOUYHZGQOFYFMV-UHFFFAOYSA-N 484.581 2.090 10 20 JECD Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)no1 917832942 IKVAJLZANPPNEC-WBVHZDCISA-N 459.572 2.061 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCCNC(=O)c3cccc(C)c3)CC2)cc1 918133820 LWYXXRZLYHYKHB-UHFFFAOYSA-N 453.587 2.245 10 20 JECD COC(=O)c1cc2cc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)c(F)c3)ccc2o1 918283036 AAVYHXZUYILFNT-UHFFFAOYSA-N 455.442 2.450 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 918284889 TXQAMMPIXFIKCS-UHFFFAOYSA-N 474.920 2.463 10 20 JECD O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918294371 GULOWZZWZXXUIR-OAQYLSRUSA-N 467.522 2.011 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CCCCN3c3ncccn3)cc2F)C[C@@H](C)O1 919075329 JJJYRQWVWHGEHT-HMFYCAOWSA-N 485.560 2.448 10 20 JECD CC(=O)NCC(=O)NCC(=O)OCC(=O)c1cc(C)n(-c2ccc(Br)c(C)c2)c1C 919507259 LYZXAOHZCABWAU-UHFFFAOYSA-N 478.343 2.143 10 20 JECD O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919697557 BEQXNFNTCLBYHY-WOJBJXKFSA-N 494.571 2.124 10 20 JECD NC(=O)COc1ccc(NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919773499 NJWPAVVLVJTOKL-UHFFFAOYSA-N 479.516 2.128 10 20 JECD CN(C)C(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl 920189335 PGPIOGRQPJIYSK-UHFFFAOYSA-N 462.909 2.272 10 20 JECD CCN1C(=O)C(=CNc2cc(S(=O)(=O)N(CC)CC)ccc2OC)C(=O)N(CC)C1=S 920977579 CWWVVBOMZYDEDI-UHFFFAOYSA-N 468.601 2.017 10 20 JECD CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(N3CCOCC3)c2)c1 1317911288 BNSMIFUDYZSRRS-UHFFFAOYSA-N 454.346 2.446 10 20 JECD C[C@H](Nc1nccs1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782001409 KDVFNSARMUHOCV-FKIZINRSSA-N 466.947 2.152 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 1782004895 PJHVNAKPRWPWDZ-NRFANRHFSA-N 464.881 2.248 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3OCCO4)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245018 MQRXTXYYKSCRAD-RISOHXOYSA-N 488.924 2.430 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cn2ccsc2n1 1796934984 ZESVMLZSKJBAMF-ACHSLPGTSA-N 462.535 2.441 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc3O1)C2)c1cc(O)c(O)c(Cl)c1 1799770033 BOYGDFNRWFTUDF-GQSCTRQFSA-N 472.925 2.348 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)[C@@H]1CC=CCC1 1803035493 GFUFREHDJVMWGF-OXFYSEKESA-N 458.609 2.304 10 20 JECD O=C(CSc1ccncc1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804349432 HKHIVBFPBLWGSI-KSFYIVLOSA-N 465.535 2.395 10 20 JECD O=C(CCc1cn[nH]c1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1804505637 DGVNOCZFZDVYHG-VTQAWEMUSA-N 477.521 2.274 10 20 JECD O=C(CCc1cncnc1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1807509019 QZRNXIBVJSVHNG-BDPOMYJASA-N 489.532 2.340 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1noc2c1CCCC2 1808022920 ZHCVUFTWPPTNIU-QRQCRPRQSA-N 463.494 2.388 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)cco2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468654 WRNLCIQORFJWKQ-MHECFPHRSA-N 485.500 2.147 10 20 JECD CCOc1c(C(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)cnc2c1cnn2C 1810430604 ZWNAJBPUIWPRMR-UHFFFAOYSA-N 494.552 2.332 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810546313 BNOYKNZTKOWTPQ-UHFFFAOYSA-N 466.538 2.367 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc2ncsc2[nH]1 1810578169 CUQIGVJSTBMMDA-ORAYPTAESA-N 464.507 2.459 10 20 JECD O=C(NC[C@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810271 SFTBVXINLNFAFP-FTDAXETJSA-N 457.914 2.358 10 20 JECD CN(C)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1811832932 DQGOHISGSMTWIC-AVRDEDQJSA-N 497.646 2.328 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccc(N2CCOCC2)cn1 1816204000 WAFDGDQPFLCBDZ-LJQANCHMSA-N 493.524 2.067 10 20 JECD CC(C)(C)n1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)n1 1816722306 WPZVIHPOMOAKNF-LBPRGKRZSA-N 456.528 2.440 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCn2cncn2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821295183 HFRTYZASJHLUBZ-OAHLLOKOSA-N 459.894 2.462 10 20 JECD Cc1nccn1CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822724388 HGSVMPRWGPEUCJ-MRXNPFEDSA-N 489.627 2.247 10 20 JECD COC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823475504 TUNHWJZRNIJFBL-PMGBHYCQSA-N 458.471 2.185 10 20 JECD O=C1NC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)O1 1824577804 ZMDJTXGMOAADJV-RDJZCZTQSA-N 451.907 2.093 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)sc2C1)c1cc(O)nc(O)c1 1825651799 DIHKSXOOICRRKV-GTVBZTTRSA-N 491.529 2.085 10 20 JECD Cn1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)n1 1825983602 LSSXPDDZSPWCAW-ZLQZBKBYSA-N 454.527 2.484 10 20 JECD O=C(Cc1ccc2ncnn2c1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428362 WIADUODRTPPRPP-LJQANCHMSA-N 464.526 2.012 10 20 JECD N[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)c1ccccn1 1827715302 KZPAUSFHWBWCTA-ILBGXUMGSA-N 488.592 2.494 10 20 JECD Cc1ncc(/C=C/C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)s1 1828248835 ATCOKKSTHNPHLZ-JOAKQRRISA-N 493.661 2.394 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)[C@H]2C[C@@H](O)C2)CC1 1828366202 HEJFBFAJWHTDEV-KAGYGMCKSA-N 452.555 2.170 10 20 JECD COC(=O)CSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876150 CQOXKUQXTPEWPC-IWHGQQBYSA-N 492.594 2.343 10 20 JECD Cc1cccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)n1 1832896936 UPSKHOQUKCVHEU-LJQANCHMSA-N 474.652 2.413 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnc4)CCO3)C2)cc1 1834388463 PGKDBLDUDONRLQ-SANMLTNESA-N 477.565 2.061 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1cnccc1F 1834939241 HYLSISTWLIPGLD-UHFFFAOYSA-N 492.555 2.199 10 20 JECD COCCCC(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1841265186 ZXZLYXRKSYFZNM-GOSISDBHSA-N 491.585 2.164 10 20 JECD CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)C(C)(C)C 1843249968 WCSDCQPIFNDPNH-QGZVFWFLSA-N 462.547 2.249 10 20 JECD CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1848097838 VECBLDSXZOEQHQ-ULQDDVLXSA-N 462.547 2.392 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)CCC2 725995659 FKLRZXJXXUDQPQ-ZEQRLZLVSA-N 479.577 2.019 10 20 JECD CS(=O)(=O)Cc1ccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 726048181 FUAJVCDKXKXIIR-UHFFFAOYSA-N 467.455 2.395 10 20 JECD O=Cc1ccc(C(=O)OCC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 825183248 GIJWQLWUXGEGHD-VXLYETTFSA-N 498.538 2.402 10 20 JECD COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3nccn3Cc3ccccc3)CC2)cc1 915363103 JYFXXZHUDKDXGP-UHFFFAOYSA-N 468.579 2.204 10 20 JECD CC[C@H](C)NC(=O)CN1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 916631962 PCXSPVYWIGMJDN-KRWDZBQOSA-N 485.551 2.284 10 20 JECD COC(=O)c1c(C)nc(O)nc1SCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917197066 LNGTWTUPMLNENR-STQMWFEESA-N 478.546 2.438 10 20 JECD NS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 918138770 RWZXJFDUTDIZIY-UHFFFAOYSA-N 472.336 2.002 10 20 JECD CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918338096 SAELWOABMQTHSA-QFIPXVFZSA-N 485.606 2.241 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc([N+](=O)[O-])o1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127059 YDVXMBCAQPSMAK-NTKDMRAZSA-N 495.492 2.108 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1778542701 RRUNEZDQDKYEJA-QFIPXVFZSA-N 474.876 2.295 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1783710237 QJTNCDPMNBYKSD-DMZKTXOQSA-N 483.949 2.108 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)c(Cl)c1OC 1783738010 HBNMCCQIKYNYOD-NUTKFTJISA-N 491.928 2.071 10 20 JECD CC(C)(C)n1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cn1 1785621904 YPRMIGKQBNZCTH-AXQFQNRHSA-N 484.553 2.062 10 20 JECD Cn1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(C(F)(F)F)c1 1796679555 DBSSZBKRQDNAKK-RHKGGUEYSA-N 495.454 2.077 10 20 JECD COc1ccc2[nH]cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)c2n1 1798484754 QSGFPMUWXUBIGZ-DBWKPXFBSA-N 486.912 2.153 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(OC(F)F)cc1Cl 1798550640 GUUXAUKXUZUXAZ-KSPBDQMDSA-N 483.855 2.265 10 20 JECD COc1ccc(COCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cc1 1799770023 AJJXWDASNJJOHX-FAQVEIGNSA-N 490.940 2.180 10 20 JECD CCc1[nH]nc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1Cl 1807704793 INALFFCFYLTFEQ-RNODOKPDSA-N 470.917 2.460 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnnc3ccccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995141 CLTXSVIXZVRGFN-WAIKUNEKSA-N 470.489 2.464 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807997871 GCMOZFSTBXRBMF-YHEJKZAPSA-N 463.494 2.070 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cn2ccnc2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811798323 MKQRLOWSKGXZML-MGPUTAFESA-N 455.902 2.363 10 20 JECD CCN(C)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1812311039 OTJCRJYHLHGCDE-FPGHNAPASA-N 476.581 2.221 10 20 JECD Cc1cccc(/C=C/C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)n1 1814185555 SJTLMTLMOYKAIO-UMQOZUHOSA-N 495.630 2.365 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccccc2F)[C@@H]1c1cccnc1 1814190111 QSSBLMJTBVUXAA-FOIQADDNSA-N 472.567 2.401 10 20 JECD Cc1noc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)n1 1817566570 VKCZAEBLIJCMDS-GOSISDBHSA-N 476.497 2.129 10 20 JECD COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)c([N+](=O)[O-])c1 1823102152 VIBOSJIDUGNQBH-CYBMUJFWSA-N 499.505 2.335 10 20 JECD CC[C@H](C)[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)c1ccccc1 1834930802 LHROIZBDMQNFKW-RNHNHXFSSA-N 483.565 2.393 10 20 JECD COc1ccc(CCC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cn1 1837096112 BESSADIEXLOKBU-UHFFFAOYSA-N 484.553 2.141 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(O)cc3O)CC2)CC1 1838030344 PAUZTMROMPSKBQ-UHFFFAOYSA-N 491.928 2.483 10 20 JECD Cc1nccn1CCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031709 GGUVLQPGIWFQPK-UHFFFAOYSA-N 471.558 2.090 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(-c3ccccc3)s1)CCO2 1838187431 CZEMBTOQDNLDIE-DEOSSOPVSA-N 496.545 2.000 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ccn3)C2)C1 1839433511 LANMJVXRGNZVHH-NRFANRHFSA-N 482.320 2.183 10 20 JECD C[C@@H](NNc1ccccc1)C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1841067786 NGNOSUCISAEOFN-PXUDHTSWSA-N 452.511 2.025 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)C1 1843997233 WYISGRUKPGQKMP-UHFFFAOYSA-N 494.602 2.007 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3cc(S(=O)(=O)NC4CC4)ccc3C)CC2)cc1 28635914 PLRUGJWHCLLMLY-UHFFFAOYSA-N 486.638 2.386 10 20 JECD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1 502440055 YKRNMKPQALVFTA-UHFFFAOYSA-N 475.592 2.350 10 20 JECD CC(=O)N1CCN(c2ccc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)cc2[N+](=O)[O-])CC1 747911139 QBDCTXJVRAQSFO-UHFFFAOYSA-N 497.552 2.145 10 20 JECD COc1ccc(C(=O)CNC(=O)CCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 751371322 YPSRPEWJUTZNGB-GOSISDBHSA-N 453.539 2.488 10 20 JECD Cc1c(NC(=O)[C@@H](C)SCC(=O)OCC(=O)c2ccc(O)c(O)c2)c(=O)n(-c2ccccc2)n1C 916621551 RFIBDTIEDWAYCY-OAHLLOKOSA-N 499.545 2.382 10 20 JECD CCNC(=O)COc1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1OC 918205540 NOGBVXJYEUPDMF-UHFFFAOYSA-N 488.560 2.310 10 20 JECD COc1ccc(-c2nnc(S)n2CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 918372556 MLNUGQNMSQNYST-GOSISDBHSA-N 480.594 2.261 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(F)CCC1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127586 RVKYAVXDACUNQE-AUSIDOKSSA-N 456.518 2.185 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H]1CCOC1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127717 VIEVFFLHYQKPII-KCVHQNEMSA-N 482.581 2.110 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc(CO)o1 1779712883 RKRGNCQTWFFOJK-XMSQKQJNSA-N 464.902 2.278 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO3)cc1 1781752969 YETVGOGVJWKALZ-AVRWGWEMSA-N 487.622 2.218 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)CC1 1782003207 GDPYJWOVXDREOB-GGOJBBCOSA-N 480.945 2.174 10 20 JECD O=C(Cc1ccc2c(c1)CCO2)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009603 XAOVPYOEVFYXCJ-XMMPIXPASA-N 472.925 2.372 10 20 JECD Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1[N+](=O)[O-] 1785509963 JRZUJBHXLNOVGU-PIITYICYSA-N 497.504 2.106 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1cc3sccc3s1)CCO2 1785541313 SFVPBRIOPZBDKC-IBGZPJMESA-N 481.646 2.267 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)C[C@@H]21)c1cc(O)nc(O)c1 1787292448 RERCBFGOLZMERF-NRJZREQNSA-N 473.476 2.168 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccoc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537177 AJJHKOHXEVSXDG-BBQPKSHOSA-N 462.506 2.065 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cc(C)c1O 1791938670 FKAKHMSVHUMXRU-DRQHBJNOSA-N 482.533 2.433 10 20 JECD Cc1cc(CC(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)n[nH]1 1792315298 ZLBWKESEPDNHEU-UHFFFAOYSA-N 457.581 2.255 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(F)cc2)CC1 1794046286 DLOOFIJJZURXDG-BJWYYQGGSA-N 461.584 2.356 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccc(Cl)cc3)CC1)C2)c1cc(O)nc(O)c1 1796141242 SSIXWXSDFAOPOX-YVWYUNDQSA-N 457.914 2.081 10 20 JECD COc1cc(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c(C)c1 1800652684 IEKGCDIKNNGKKX-MUJYYYPQSA-N 461.609 2.424 10 20 JECD Cc1ccc(C)c(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1 1802079192 XEDUGCZZEXQEQP-USZHEJOJSA-N 482.533 2.102 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3cccnc13)C2 1802079887 YKXUITFINMPDDW-JWMIDBARSA-N 475.501 2.268 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2ccccc21)C1=NN(c2ccccc2)C(=O)C1 1802157210 BAOVAZIRTNQRGH-FNLKRUPLSA-N 470.533 2.467 10 20 JECD O=C(CCN1CCOC1=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1809535674 SQUSHLCQVGTODI-MGPUTAFESA-N 488.928 2.308 10 20 JECD O=C(COc1cccnn1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1813388645 JOJZNDMLOWXCGA-VFNWGFHPSA-N 483.912 2.335 10 20 JECD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)[nH]1 1814162922 ZDDJUGSXIBPXDW-UDGCLTLRSA-N 463.494 2.263 10 20 JECD Cc1nscc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814186593 SVZUIOZJSNLBNW-KBXCAEBGSA-N 475.621 2.026 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc3c[nH]nc3c2)[C@@H]1c1cccnc1 1814189488 QSDREBXDRNQFPT-DYESRHJHSA-N 494.602 2.138 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@H]1COc2ccccc2O1 1815674902 IUGUBYOYFUWYSO-CRAIPNDOSA-N 465.466 2.362 10 20 JECD CCc1[nH]nc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c1F 1816259147 ZSQSKABKYPFNOB-LBPRGKRZSA-N 479.563 2.001 10 20 JECD CN(C)c1cccc(OCC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1 1816722362 YXPOSFORMIMRDP-CQSZACIVSA-N 483.550 2.320 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2-n2nccn2)[nH]n1)c1cc(O)nc(O)c1 1817847437 CEVKBZNDMWJVIF-GOSISDBHSA-N 474.481 2.416 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)c3cncc(O)c3)CC2)CC1 1838777116 FFUBWEPHKKHFHX-DUXPYHPUSA-N 483.521 2.230 10 20 JECD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1840895556 XWKROMJGVSFSBV-ZLGDRYJUSA-N 482.533 2.077 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)[C@H]1CCCOC1)C2 1843331558 JNFLGGCUDPBAIV-PZJWPPBQSA-N 486.613 2.335 10 20 JECD CCOCCC(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251515 DLPCRTDHHHRMJY-SFHVURJKSA-N 491.585 2.164 10 20 JECD COCCn1c(N)c(C(=O)CN(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)c(O)nc1=O 728927944 ILUQABDJJPAMLN-YVMONPNESA-N 492.532 2.351 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3cccc(CN4CCC[C@H]4C(N)=O)c3)CC2)cc1 742928684 ZTOYLHYDAMDPCS-DEOSSOPVSA-N 480.613 2.089 10 20 JECD CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(OCC(=O)N4CCCC4)c3)ccc21 747018220 XFGIIGRRQACFRC-UHFFFAOYSA-N 450.539 2.325 10 20 JECD NC(=O)[C@H]1CC(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)=NN1c1ccccc1 917381013 RDNDCGKIWNWGII-HXUWFJFHSA-N 475.471 2.278 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)nc12 918850420 XVCAMWMEKDRAGW-UHFFFAOYSA-N 488.522 2.143 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)nc12 918944997 HXGNLCADOWFZRK-QGZVFWFLSA-N 454.439 2.086 10 20 JECD O=C(NCCCOC[C@@H]1CCCO1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919782591 LXXMFCVFEZXEKQ-FQEVSTJZSA-N 472.565 2.327 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)cc1C 921294055 AXAWENURGGCASQ-UHFFFAOYSA-N 450.535 2.100 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCCN(Cc4cc(C)on4)CC3)CC2)cc1 1115927622 CBJFVGVTMBIDFB-UHFFFAOYSA-N 470.618 2.421 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nonc4c3)C2)C1 1777722002 COIAFNUBGHXIBX-OAQYLSRUSA-N 458.858 2.045 10 20 JECD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c[nH]1 1778316587 YTEKIVRZCLBNIP-PXDATVDWSA-N 463.538 2.244 10 20 JECD COc1cc(C)cc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1781487756 NJTVCVGGVPGLKN-SKFGKQHZSA-N 468.506 2.277 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3c(F)ccc(Cl)c3F)C2)C1 1785164730 GXWXKPIMIBIFAU-FQEVSTJZSA-N 453.829 2.182 10 20 JECD COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785503249 FVSNJKYXCJOEJT-WGBQMPMESA-N 494.544 2.459 10 20 JECD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1785528287 YVGDIRAAFAYCMU-QFIPXVFZSA-N 493.875 2.485 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4snnc4c3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243726 FIVPFKJNBDHMSC-SVKFGRERSA-N 489.941 2.058 10 20 JECD CN1CCC[C@@H](C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)C1 1792314977 PVMKLJMKXJAGKH-OAHLLOKOSA-N 460.625 2.323 10 20 JECD COc1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1F 1794673008 ATVNYLFSCCTTLQ-VBUUOAMHSA-N 465.485 2.274 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc(O)c(F)c1 1799547480 XRSMSURCIAVQBH-IVWMJMPLSA-N 450.850 2.113 10 20 JECD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1802110514 YCFZHCOOKYAKAX-BLNCCHSWSA-N 495.488 2.028 10 20 JECD COc1cncc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)c1 1804283753 ODIFIHNWTADFFU-BAKRUHSUSA-N 467.522 2.491 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2n[nH]c(C3CC3)c2F)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991014 MMNFCMDVXAZXEF-LHSJRXKWSA-N 466.473 2.261 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2c[nH]c3nccc-3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993431 KQJONSDVZGIOHI-IERDGZPVSA-N 458.478 2.349 10 20 JECD O=C(C[C@@H]1CNc2ccccc2O1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810209007 COWAUOCLWPODLS-RAWGQGSESA-N 489.532 2.471 10 20 JECD O=C(COc1ccc(O)nn1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1812353217 MDDCFHCKZLZRBO-SPLOXXLWSA-N 499.911 2.040 10 20 JECD C[C@](O)(C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)C(F)(F)F 1814162681 VECBVQLVNRSHLD-IMIHKUQASA-N 495.454 2.231 10 20 JECD COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1814186073 KVHGQICFTWRQDW-MBSDFSHPSA-N 498.630 2.199 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)[nH]n1 1823475110 BZLFXUCKMSIYEF-UABRLCRWSA-N 465.466 2.179 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@]2(F)Cl)[nH]n1 1823499441 GXOBKGKJEPEBFN-NVTQBHAOSA-N 459.956 2.187 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823499817 ZGOPATBRVMUMPA-GOEBONIOSA-N 480.660 2.240 10 20 JECD Cn1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)cccc1=O 1827715206 QJCJHNYLKSIXGK-JOCHJYFZSA-N 489.576 2.412 10 20 JECD CS(=O)(=O)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830736663 GARYSODDXGIMSD-MRXNPFEDSA-N 458.964 2.029 10 20 JECD O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832882835 QWINWHQXQDOTJA-IUMDUWAESA-N 456.539 2.329 10 20 JECD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(C)s1 1833150827 GQGKMIIZRMEEOA-JOCHJYFZSA-N 495.985 2.137 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cnc(Cl)s1 1835993891 DKCQQBMWYLYEGO-UHFFFAOYSA-N 465.963 2.102 10 20 JECD C[C@@H]1C[C@]1(C)C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836366545 WBEKCIFUHNVXOO-DWXRJYCRSA-N 465.598 2.397 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3c(F)ccc(O)c3F)CC2)CC1 1838030220 GEFYKZLAVKDCFH-UHFFFAOYSA-N 477.464 2.403 10 20 JECD Cc1cccn2ncc(C(=O)N3CC4(CCCN4C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)c12 1843442571 SHTMVMCOLUTISB-UHFFFAOYSA-N 456.506 2.253 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 105103421 SLEZSSNNEIWDSL-LJQANCHMSA-N 491.585 2.494 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCN1c1ncnc2sccc12 728515329 AHODMPBMJHPWNX-LJQANCHMSA-N 471.608 2.211 10 20 JECD Cc1cc(C(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)c(C)n1-c1ccc2c(c1)CCC2 729153577 PNGSHWXQXDVFMH-UHFFFAOYSA-N 469.563 2.265 10 20 JECD Cc1cc(CC(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1-c1ccc(Cl)cc1 749985098 BYFOJJSFOORBCX-UHFFFAOYSA-N 469.929 2.281 10 20 JECD COCCNS(=O)(=O)c1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 916649050 HLOCXZAIPWRAOF-FQEVSTJZSA-N 477.583 2.208 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3ccc(F)cc3)cc2F)C[C@@H](C)O1 918974193 XTVBEOLDXFUKOS-HZPDHXFCSA-N 475.492 2.168 10 20 JECD CCCNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c2ccccc2O1 920923507 RFPOTMYQNWDHHV-WZONZLPQSA-N 480.565 2.021 10 20 JECD COCCN1C(=O)/C(=C\Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)C(=O)NC1=S 920979078 TVFLMKNCSAABDA-SULWINFOSA-N 452.536 2.363 10 20 JECD CC1=C(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)CCO1 1777725692 YAZICMVODMYUMD-XHDSPZKDSA-N 458.511 2.025 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCc1cccnc1)C2)c1cc(O)nc(O)c1 1777852194 XEFASBAFBOJBMQ-NTKDMRAZSA-N 454.527 2.038 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1cccc(Cl)c1 1780368544 WDGLKZSTDFGDPJ-IIBYNOLFSA-N 482.027 2.328 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](C)n2cnnn2)C3)cc1 1780986407 KOZZPXPCHNKTHH-ROSOWXQZSA-N 491.596 2.469 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)N4CCN(C)CC4)C3)C2)cc1 1781097835 ZFCDLRUECLHEGA-LXFBAYGMSA-N 493.652 2.174 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)COc4cccnn4)CCO3)C2)cc1 1781755376 JMGZQQMCNAHRDB-SANMLTNESA-N 475.549 2.407 10 20 JECD COc1ccc(COCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1782008612 FSUPJQHIBMQZCE-DEOSSOPVSA-N 490.940 2.420 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCSC1)C2 1783222534 ATFLTATTWPWVHA-JLFLATNGSA-N 476.595 2.474 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1785337058 AYYFESDAALTGGS-JOCHJYFZSA-N 483.949 2.110 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)c1ccccc1)CCO2 1785503932 UNZMQUYJHGFBFV-KLBPFGMTSA-N 456.470 2.357 10 20 JECD CCOc1ccsc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785504944 GSGQZMNFEMMWJO-FIYNHDKVSA-N 474.535 2.421 10 20 JECD CC(C)c1nc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)co1 1785508470 GAQHAOTZMGMWLM-DOHLAZSCSA-N 457.483 2.072 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)CCOc1ccccc1)CCO2 1785508540 HKRHHXCCCJLUQY-PMDNVAFQSA-N 468.506 2.116 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785509998 KPNQQNOVUONQBE-VJAVOHLOSA-N 468.506 2.114 10 20 JECD Cc1ccc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)s1 1796482505 CNLWSAHQLAJJEJ-YCCWKVCLSA-N 478.574 2.452 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3cccnc3)[nH]n1)C2)c1cc(O)c(O)c(Cl)c1 1799769273 FJGNJQDQFLFBAK-YVWYUNDQSA-N 483.912 2.053 10 20 JECD O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1802382494 MDTCSLWKTNSKFI-SBUREZEXSA-N 477.477 2.358 10 20 JECD COc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1802807200 DEJRMXRXYUOWQO-XDHUDOTRSA-N 478.505 2.295 10 20 JECD O=C(Cc1c[nH]c2ccccc12)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804336092 VLDDVCQPDBWMOT-MUJYYYPQSA-N 456.593 2.209 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CS[C@H]2CCCCO2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994255 FFUSQCGQNXEKGQ-SSKFGXFMSA-N 472.567 2.467 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc(-n3cncn3)c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999146 HSVHEBUAESIYJN-MBSDFSHPSA-N 485.504 2.102 10 20 JECD CN1CCCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808463563 DAYSRQSZUIJHAR-QUURXOELSA-N 488.592 2.365 10 20 JECD COC(=O)c1ccc(CC(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)s1 1810547508 ZWMGBKCHCALLTM-UHFFFAOYSA-N 473.551 2.428 10 20 JECD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)no1 1813334475 HQKMYUJLYJBDAM-WZMUZEJKSA-N 478.505 2.457 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2n[nH]c3ccccc23)[C@@H]1c1cccnc1 1814189091 LWIRNBYEPARFCX-YCRPNKLZSA-N 494.602 2.138 10 20 JECD Cc1nnc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)s1 1815914602 VSFCMABLKQTTEM-CQSZACIVSA-N 457.516 2.315 10 20 JECD Cc1noc(C)c1CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720821 AQDNIRDAQJGCJI-ZDUSSCGKSA-N 457.512 2.413 10 20 JECD CC(C)(C)[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364252 RTCJLTHYJOWKGR-BFUOFWGJSA-N 469.567 2.255 10 20 JECD Cn1ccnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476980 VDJGVCGGDIGMHL-PMGBHYCQSA-N 452.471 2.279 10 20 JECD O=C(Cc1ccc(O)cn1)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1827049313 BBBDZGRJKRWINL-OAHLLOKOSA-N 490.545 2.191 10 20 JECD Cc1nn[nH]c1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715172 HLJDSYGORPCGCV-HXUWFJFHSA-N 463.542 2.139 10 20 JECD CCC[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)CC1 1839972097 JBQNJPYVQQZCAW-XFAGBWLFSA-N 461.559 2.169 10 20 JECD Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)nn1C 1842428438 MTJMTCSGVLCNIA-HXUWFJFHSA-N 496.612 2.264 10 20 JECD O=C(C1CCN(c2ccc(F)cn2)CC1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039408 LPQLDMMAOMUQBU-XVNBXDOJSA-N 496.539 2.471 10 20 JECD CCS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 19426926 JDJJTAOJBYMFNV-UHFFFAOYSA-N 484.530 2.005 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 105278225 LDTTZKQYOIAFFA-UHFFFAOYSA-N 486.638 2.414 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCC(=O)N(C)CCc3ccccn3)cc2F)C[C@H](C)O1 727476222 PWAFTWBJIBEHMR-ROUUACIJSA-N 457.550 2.335 10 20 JECD CC(C)(C)NC(=O)CCNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 728067882 DFWGUHQKLQACMM-UHFFFAOYSA-N 457.554 2.046 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@@H]3Cc4ccccc4CN3C(C)=O)CC2)cc1 729303755 ZBYCPESAMITPGL-VWLOTQADSA-N 450.583 2.297 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCCNC(=O)c3ccc(Cl)cc3)CC2)cc1 742940056 QFFBPQJNWITCSK-UHFFFAOYSA-N 459.978 2.200 10 20 JECD Cc1c(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cccc1C(=O)N1CCCC1 749031138 NODIHMIGOTUGEF-FQEVSTJZSA-N 491.592 2.188 10 20 JECD O=C(COC(=O)c1ccc(-n2cncn2)nc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 825858317 JAOWDAUDAUJFOZ-UHFFFAOYSA-N 453.414 2.233 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)cc1 915732131 SVYVNNYNRRSKAA-UHFFFAOYSA-N 487.626 2.248 10 20 JECD CC(C)n1ncc2cc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cnc21 919047775 MHNOIUPLGHMWSE-UHFFFAOYSA-N 455.490 2.461 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCc2nnc(C(=O)NCc3ccc(F)cc3)s2)c1 920635671 KGPVBMNXWYLKHP-UHFFFAOYSA-N 480.499 2.041 10 20 JECD C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 920926415 NOJLLVKCZJDMEO-KRWDZBQOSA-N 488.610 2.416 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCc3ccccc3N3CCN(C)CC3)CC2)cc1 1318262639 MTBDPQSEJMPWNJ-UHFFFAOYSA-N 466.630 2.068 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc2c(c1)OCO2 1778441577 ROSXEFMVIOKOEI-WNGUJASGSA-N 496.516 2.373 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009661 YMFVOMCVYCQGRD-FPTDNZKUSA-N 461.902 2.057 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cc3sccn3c1)CCO2 1785508217 BCHDYHPCZHGRHE-KFVKGYIZSA-N 469.519 2.275 10 20 JECD Cc1ncncc1C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1789834202 ZYQLMFNZVJVQMT-UHFFFAOYSA-N 455.565 2.393 10 20 JECD CC(C)(C)OC(=O)CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1793023889 OJDBZKMZHKZHDO-YVWYUNDQSA-N 482.961 2.466 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3cc(Cl)ccc13)C2)c1cc(O)nc(O)c1 1796137598 LZQDXBZWFWSMBX-NXCRSVRDSA-N 456.886 2.145 10 20 JECD COc1nccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1F 1796356528 QMTYOUPNSNOPSO-PLCSWTFUSA-N 457.458 2.311 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1796930930 JMUQGAAWXNGFHX-CAVMOMJPSA-N 466.538 2.007 10 20 JECD O=C(Cc1ccc2ncnn2c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800718470 VFQWYDCLOIJKPU-MUJYYYPQSA-N 455.902 2.288 10 20 JECD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O)c1ccccc1 1802082699 ZOEJWLQQGDLOIZ-XTXPCOOASA-N 452.507 2.210 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)CCC(=O)N3CCCC3)C2)CC1 1806654481 ZFGOPOCKGPIQFD-FNORWQNLSA-N 485.581 2.450 10 20 JECD Cc1nnc(CC(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)s1 1807541623 UFKUWIDPLYLHSV-CJOSSSAMSA-N 495.561 2.320 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1nccc2occc12 1807795205 RNOLAGJNASIAMG-QVKFZJNVSA-N 495.586 2.403 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)n1ccnc1 1808463186 AEAKDGPNHMMRCU-LJFZDNNRSA-N 485.548 2.338 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808465310 SUUQAOLGQSKPGA-UQBPGWFLSA-N 485.548 2.236 10 20 JECD CC(C)c1cc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)n[nH]1 1811510598 RMYHJCRDACKMMA-MGPUTAFESA-N 486.623 2.108 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)Cc2ccccc2F)[C@H]1c1cccnc1 1814186622 UPEVVBGOFMGFDG-VGSWGCGISA-N 486.594 2.330 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)C2(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1814188966 HXUDSVPICBQELB-CZUORRHYSA-N 486.541 2.290 10 20 JECD O=C(COCc1ccccc1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1814522187 VDOSTIAUJGIUPW-CQSZACIVSA-N 490.632 2.132 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3[nH]ccc3n1)CC2)c1cc(O)nc(O)c1 1816724949 FCUZQFLQDRPDEK-LLVKDONJSA-N 450.480 2.365 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816730007 YELZEDJZWMYGPX-IUODEOHRSA-N 453.524 2.449 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)[nH]n1 1823476789 NXADHSAXDWYSJT-UGAXZCSASA-N 465.466 2.179 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)ccc1F)CC2 1828247237 QTYSXWYWWMQFBF-VIFPVBQESA-N 480.568 2.074 10 20 JECD CC(C)c1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)no1 1834988014 IRPKJHUYEFJCLD-UHFFFAOYSA-N 457.531 2.103 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1)c1ccc(F)c(F)c1 1836322908 OHXZLFKRERTWHM-UHFFFAOYSA-N 496.605 2.010 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cccc(N3CCOCC3)c2)C1 1845392362 WCRDXPXRQFPKOT-SOFGYWHQSA-N 479.533 2.170 10 20 JECD CN(C)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 15485149 DGWWDFAGRBYKCQ-UHFFFAOYSA-N 450.992 2.029 10 20 JECD CC1CCN(c2ccc(CNC(=O)Cn3cnc4c(c(Br)nn4C)c3=O)cc2)CC1 731014876 APLLGAIHHKSDBJ-UHFFFAOYSA-N 473.375 2.445 10 20 JECD CS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1Br 749124912 RGJOYNQQUNITOI-MRXNPFEDSA-N 494.411 2.484 10 20 JECD CSc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@H](CCS(C)(=O)=O)C3=O)c2C)c1 757916373 SATBXIKRWJKWHA-GOSISDBHSA-N 463.581 2.354 10 20 JECD COCCOC(=O)C1=S=c2nc(/C(Cl)=C\c3ccc(C(=O)OC)cc3)nc(O)c2=C1C 916127814 JIWPIAGTWKGFKJ-GXDHUFHOSA-N 462.911 2.236 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@@H](c3ccccc3)N3CCOCC3)cc2)C1 918004800 NIMXVCMGHXYASO-VWNXMTODSA-N 465.598 2.261 10 20 JECD CN(C)C(=O)COc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 918295288 PXYAODBOTPZELI-FQEVSTJZSA-N 455.511 2.006 10 20 JECD CN(Cc1ccccc1)C(=O)CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919783295 RDHGXYVVWIEFDE-UHFFFAOYSA-N 491.571 2.400 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccc(OCC(=O)N(C)C)cc3)CC2)cc1 920254683 MRSGXSNUHFDAJI-OUKQBFOZSA-N 466.538 2.006 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1snnc1C1CC1)CCO2 1782005505 KFULWUCIWIDSET-HXUWFJFHSA-N 464.931 2.237 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)Cc1cc(F)cc(F)c1)CCO2 1785508918 KXQNYTIDSDAJHQ-UQPVFDRXSA-N 474.460 2.167 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3cc(=O)cco3)cc2)CCC1 1787594520 INMXDHVEIGEPJR-UHFFFAOYSA-N 457.533 2.248 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1794080194 XJGFLVKBHHAVJP-JVICHNFNSA-N 485.588 2.474 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1C[C@@H](O)C1)C2 1796749264 RDLZUVITIUOMCI-FKOZLKKJSA-N 486.613 2.114 10 20 JECD Cn1ncc(Br)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804286695 YSZOHPNUCNUIMY-JDGWPXKUSA-N 491.342 2.265 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)[C@H]1CNc2ccccc21 1807177809 IKILEUGAJYDBDH-SGXKBVARSA-N 495.630 2.157 10 20 JECD O=C(COc1ccc(O)nn1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1812353216 MDDCFHCKZLZRBO-QKKBWIMNSA-N 499.911 2.040 10 20 JECD CCOCCC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813535661 KBULJBXYYAHAFK-YADARESESA-N 463.538 2.307 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)COC2CCCCC2)[C@@H]1c1cccnc1 1814186099 WZIRKVWJHCSQTR-HTAPYJJXSA-N 490.651 2.297 10 20 JECD Cc1nn2cc(CC(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)nc2s1 1815508737 MQZLINVOKHISIM-HNNXBMFYSA-N 482.526 2.177 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2Cc3ccccc3CN2)[nH]n1)c1cc(O)nc(O)c1 1817845463 NBHBUQVPCUYDRX-MOPGFXCFSA-N 462.510 2.236 10 20 JECD COc1ccnc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)c1OC 1817847743 VRJSYTABYVYIJB-AWEZNQCLSA-N 468.470 2.248 10 20 JECD COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)n1 1818389440 ALOLKKQCSJAXQX-ZDUSSCGKSA-N 483.441 2.147 10 20 JECD O=C1Cc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CN4C(=O)CSC4=S)[nH]n3)ccc2N1 1818983938 MGVXGEIRJQPBQI-INIZCTEOSA-N 498.590 2.071 10 20 JECD O=C(CCn1cncn1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1822683183 NVZSBAMXZUZRHI-HNNXBMFYSA-N 459.894 2.462 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)OCO3)[nH]n1 1823497954 JGHXRWXHXKSGFT-CQSZACIVSA-N 487.563 2.305 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ccnn3c2)[nH]n1 1823499794 YGGAGCAAONDHEX-INIZCTEOSA-N 483.579 2.224 10 20 JECD O=C(c1cnc2c(c1)CCNCC2)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827430034 ZQJNLCWNYHTQTR-JOCHJYFZSA-N 479.581 2.123 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cn[nH]c3cn2)CC1 1828754053 SDRDFHYGMWYQQR-IBGZPJMESA-N 450.499 2.311 10 20 JECD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)o1 1831798486 MTTGRLNHWJFTAX-NRFANRHFSA-N 450.875 2.036 10 20 JECD O=C(CCn1ccnn1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832882861 TXBPBFORWUPTNW-XZXOBPBMSA-N 469.542 2.118 10 20 JECD COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1F 1833166314 FCSWHCJXWVMANQ-UHFFFAOYSA-N 472.517 2.140 10 20 JECD CC(C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1833673843 YVYQZYKGYFECLW-UHFFFAOYSA-N 483.613 2.166 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)[C@@H]3CCCOC3)CC2)CC1 1838111637 HLROMYUDQDKZKT-LJQANCHMSA-N 482.581 2.205 10 20 JECD Cc1cccc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)n1 1839432717 YHWADKUHDDMRLO-QQHIZMLBSA-N 487.940 2.238 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc4cnccc4n3)C2)C1 1839434069 LCUGTICZEJAJAT-XMMPIXPASA-N 498.923 2.078 10 20 JECD CC(C)(C)OC(=O)NC1CCC(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CC1 1843251363 XLNWNEAKLCGHNQ-UHFFFAOYSA-N 474.558 2.393 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 1845404438 BEXLFVPKUICAHD-HWKANZROSA-N 457.414 2.381 10 20 JECD CC(C)(C)C(=O)Nc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)cc1 1847056713 ZDHCCRBYNCFZHG-UHFFFAOYSA-N 488.635 2.349 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(Cl)cnc2O)=NN1c1ccccc1 1847189136 DGFKGVBOFDTWKU-ROUUACIJSA-N 453.886 2.049 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 19280221 MKTFCDHYYRIQIR-UHFFFAOYSA-N 488.338 2.313 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cc(OC)c(OC)cc3NC(C)=O)CC2)cc1 23475939 IUJWNKLIXYZGLQ-UHFFFAOYSA-N 471.510 2.176 10 20 JECD C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)C2=O 27572608 KHMFVHCFPVMGBR-GKVSMKOHSA-N 472.586 2.391 10 20 JECD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 505949015 RNFAPYRJPNHCIM-HXUWFJFHSA-N 458.603 2.204 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccnc3)cc2)C1 742355836 WYUAASZUYJTUHE-ZCYQVOJMSA-N 485.588 2.441 10 20 JECD CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 746991154 ZNRUYSLKGYCSKI-UHFFFAOYSA-N 499.511 2.342 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(C(=O)OCC(C)C)CC3)CC2)cc1 749175402 QARMWUFCLLRRGU-UHFFFAOYSA-N 461.607 2.327 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CCNS(=O)(=O)c3ccccc3Cl)CC2)cc1 787901599 OJCJSLCTOVSMHQ-UHFFFAOYSA-N 495.045 2.346 10 20 JECD CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 917708531 ICTDGTLLWVVRDV-UHFFFAOYSA-N 453.511 2.418 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 919790637 NOVYFAJHGPULEY-UHFFFAOYSA-N 476.574 2.315 10 20 JECD CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)C2=O 919969595 SWCVWXYXLSAAAS-UHFFFAOYSA-N 460.550 2.294 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)Nc2ccccc2I)c1 920638418 ZCAOWBOIDNVNNM-UHFFFAOYSA-N 490.275 2.164 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)CNC3=O)C2)c1cc(O)c(O)c(Cl)c1 1781122716 DPFOPTNKIFRZNM-CJFMBICVSA-N 499.951 2.436 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)n2cncn2)CCO3)cc1 1781754995 DDCYGVPOMGMAMA-NBGIEHNGSA-N 462.554 2.390 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ncc(Cl)cc1Cl 1783428941 VRXQDMBKALUCRC-XEGUGMAKSA-N 467.309 2.102 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)ccc3C(F)(F)F)C2)C1 1785213059 IFYDTPKSCOTZHS-HXUWFJFHSA-N 469.391 2.408 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccccc3Cl)C[C@@H]21)c1cc(O)nc(O)c1 1787291402 CXKFTICXRJZXGA-IEZWGBDMSA-N 459.930 2.372 10 20 JECD CCC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)CCC1 1787539433 DHBRYOOFMBPCMS-CUWPLCDZSA-N 452.555 2.339 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cc1O 1790013655 FYNIMBNMKSIPQT-OUYUHBOOSA-N 468.506 2.124 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccoc3cn1)C2)c1cc(O)c(O)c(Cl)c1 1799768245 PGRBSHWMPSBHAG-HBCWATKFSA-N 457.870 2.409 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1sccc1F 1803858257 IDRVMRJATHAEKI-GUYCJALGSA-N 478.596 2.462 10 20 JECD O=C(Cc1cc([N+](=O)[O-])ccc1F)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804157547 NBGJNMYLNOUEDA-WNSKOXEYSA-N 495.467 2.497 10 20 JECD CN(CC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)C(=O)OC(C)(C)C 1806723208 HYEKOPRCYPCKSO-IIBYNOLFSA-N 485.541 2.074 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cn3ccccc3n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995137 CJPLYABFYMVSHX-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD N[C@@H](Cc1cscn1)C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1810793013 YYQGBKJUHLWVIM-FQEVSTJZSA-N 494.621 2.037 10 20 JECD CC(C)c1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n[nH]1 1811504655 QZFZVNZYXNBYPU-BTYIYWSLSA-N 450.499 2.368 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)n1cccn1 1813429294 IIEIBXSLYXRIMP-VVKOEQFZSA-N 477.521 2.375 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cnoc2C2CC2)[C@H]1c1cccnc1 1814186122 LQOVYALSXSPBQG-KXBFYZLASA-N 485.591 2.127 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814188835 BJCBYJRQWXOVBD-TVTNDZMWSA-N 497.646 2.448 10 20 JECD COc1ccc2[nH]cc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)c2n1 1816727048 CNMRRSVBDRVSRS-NSHDSACASA-N 480.506 2.374 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)c1ccco1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817358513 YYJGRKCLIPUJSD-RNODOKPDSA-N 479.518 2.175 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccc(O)c(F)c3)sc2C1 1823316707 GJDPEAOYKAHXPA-SNVBAGLBSA-N 480.568 2.074 10 20 JECD Cc1c[nH]c(C)c1CCC(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828243773 VIYFIDNOZIKTEV-ZDUSSCGKSA-N 491.664 2.493 10 20 JECD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)ccn1 1835917738 LYFYMEYLHGQPJN-HWKANZROSA-N 480.565 2.405 10 20 JECD CCCc1onc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839434120 OWKOFGBJSDNTFX-HSZRJFAPSA-N 493.944 2.384 10 20 JECD Cc1cc(F)ccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840882007 ZXUZQTKSVRNDRX-UDFXQGOISA-N 486.496 2.034 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 28495136 DKGRQAXXGGTDOS-JWIKTPOESA-N 493.651 2.105 10 20 JECD CC(C)[C@H](C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)N1CCCC1=O 726033636 HYPPXDZWTNJDAH-SEPYTNNBSA-N 463.550 2.246 10 20 JECD CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 730529876 MTGPYXUMPDVWJC-IBGZPJMESA-N 451.589 2.327 10 20 JECD Cn1c(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nnc1[C@@H]1CCS(=O)(=O)C1 792057639 PHVOYARQSBJQET-CYBMUJFWSA-N 496.570 2.223 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])cc2)C1 917391341 RZTVXSZQQMFBQE-LJQANCHMSA-N 467.526 2.381 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(CN4C(=O)CNC4=O)cc3)cc2F)C[C@@H](C)O1 918141679 YOVLBHXTKARVGB-IYBDPMFKSA-N 454.502 2.421 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3-n3cccn3)cc2)C1 918464917 DXYCPEPBBJPPSP-KRWDZBQOSA-N 480.956 2.482 10 20 JECD CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919729758 LFKFPKDMKDBIFH-UHFFFAOYSA-N 484.557 2.379 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@@H]1CCN2CCCC[C@@H]12 919782617 BIESXLJXKSKFIT-IRLDBZIGSA-N 453.566 2.368 10 20 JECD COCCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1F 920193026 UCFRHBAOPYFHDH-UHFFFAOYSA-N 459.518 2.315 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cccc(I)c3N)CC2)cc1 920705357 JACQMOAOPKLGQP-UHFFFAOYSA-N 495.317 2.388 10 20 JECD Cc1ccc(OCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1 1777847671 LWEILFVVAULSCP-NTKDMRAZSA-N 455.511 2.008 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1c(Cl)ccc2c1OCO2 1778571580 BYPNOUBPHVLZME-WAIKUNEKSA-N 489.912 2.316 10 20 JECD Cc1nc2ccccn2c1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005539 MFHJWCPUWYTEFE-QHCPKHFHSA-N 470.913 2.465 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)n4ccnn4)C3)C2)cc1 1782763093 FVGLDZIKFVJOME-NBGIEHNGSA-N 462.554 2.390 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)[C@@H]1C[C@@H]1c1ccc(F)cc1 1783884273 KPPGNWXAKKOQFO-UYYRZJCPSA-N 455.486 2.029 10 20 JECD COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cc1C 1784842815 FIBWTEKYOUQOAY-OWNKRJDSSA-N 496.560 2.356 10 20 JECD Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)nc2ccc(Cl)cn12 1787294227 LPGLROCYYIHFCT-JQFCIGGWSA-N 485.928 2.009 10 20 JECD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)ccn1 1788906631 QRPICOHGZBJYNI-YEWWUXTCSA-N 461.902 2.062 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)Cc3ncccn3)CCC2)cc1 1792313852 BERKTBGKEIMMKV-UHFFFAOYSA-N 455.565 2.014 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncccn1 1795187861 KYSFEWMOVICEFX-PLACYPQZSA-N 494.596 2.447 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc2[nH]ccc2s1 1797112788 DDEDMQNCADMBDG-JOTXDYOYSA-N 469.519 2.263 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c(C3CC3)c1F)C2)c1cc(O)c(O)c(Cl)c1 1799767419 PCPWCCQCUHUNIT-DRXBFXEBSA-N 464.881 2.008 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(F)(F)F)[nH]1)C2 1802080471 PGCFCWKVQRILSG-WFRBFAAJSA-N 481.427 2.067 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cccc2ncccc12 1804333753 WRQBOCXEJOBKAV-QDMKHBRRSA-N 454.577 2.347 10 20 JECD COc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1 1804334629 UXTVHXVTSIOXLX-MGGVOPSTSA-N 473.620 2.297 10 20 JECD COc1ncccc1CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804544217 UWUXBZLKKYYNMD-JPYJTQIMSA-N 477.521 2.244 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)Cc3cccs3)C2)CC1 1810111320 RDPGBVPRIZLQQF-UHFFFAOYSA-N 451.639 2.382 10 20 JECD O=C(CCc1ncc[nH]1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813274937 ZFWQCKNHNYIZGF-CLOONOSVSA-N 485.548 2.236 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)/C=C/c2ccco2)[C@@H]1c1cccnc1 1814186243 YRGUYNYVFDUOTG-YONMQOAISA-N 470.576 2.254 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cnn4ccccc34)sc2C1)c1cc(O)nc(O)c1 1818094341 BHPUXRUWSWLFGX-LBPRGKRZSA-N 450.480 2.137 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1818127628 ACYDPWPQJQOBDC-RHPXVONCSA-N 471.514 2.099 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cc2cnccn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146170 VAGABZBNRZBIIK-FQEVSTJZSA-N 472.509 2.227 10 20 JECD Cn1nccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1825972812 SZTDMGOHVXEEHU-NRFANRHFSA-N 462.554 2.446 10 20 JECD O=C(Nc1cccnc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1829044475 ISKXDNRWNKKGHK-JCOOBLOPSA-N 494.548 2.470 10 20 JECD O=C(Cc1ccccc1F)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1834488885 DQMRVJBXSVVXDB-UHFFFAOYSA-N 456.518 2.060 10 20 JECD CCc1nc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)co1 1835987649 HBLIQIDUVXTTFN-GQCTYLIASA-N 484.553 2.252 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cncc4cnccc34)C2)C1 1839433938 YQPBAZKEZULANP-DEOSSOPVSA-N 498.923 2.078 10 20 JECD Cc1ccc([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1 1840881095 CGSDCNOPEOEUDT-KIVJQPFTSA-N 496.560 2.385 10 20 JECD CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1845043301 WYMCXHNYSCGIBP-UHFFFAOYSA-N 478.958 2.233 10 20 JECD O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847050982 OBVMAYUZSPJJKI-UONOGXRCSA-N 465.547 2.132 10 20 JECD COc1c(Cl)cccc1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056670 UZYZDZNCOQQCFL-UHFFFAOYSA-N 453.973 2.026 10 20 JECD O=C(Cc1cc(F)ccc1Br)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1848021920 NKDNRCZYRQDSFH-HOTGVXAUSA-N 464.291 2.453 10 20 JECD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] 18150528 QLJNWHRFOWXEDO-UHFFFAOYSA-N 463.560 2.418 10 20 JECD CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 729049159 GUBLZUFMKZOYHB-KDURUIRLSA-N 463.598 2.135 10 20 JECD CCOC(=O)c1c(NC(=O)COC(=O)Cn2[nH]cc3c(=O)ncnc2-3)sc(C)c1-c1ccccc1 730657292 BFDSZHAPHJBCAG-UHFFFAOYSA-N 495.517 2.467 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(NC(=O)C4CC4)nc3)cc2F)C[C@@H](C)O1 731406530 NNASBSDWQALAKY-HUUCEWRRSA-N 469.517 2.438 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCCN(C(=O)c4ccsc4)CC3)CC2)cc1 742940454 VEJLEUTVPHZAET-UHFFFAOYSA-N 471.627 2.436 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccccc3S(=O)(=O)C(F)(F)F)CC2)cc1 915438457 JPJMBBOGBGGKHH-UHFFFAOYSA-N 486.468 2.494 10 20 JECD CN(C)CCNS(=O)(=O)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)c([N+](=O)[O-])c1 917086368 ATVXSVIQATUDGN-UHFFFAOYSA-N 481.550 2.023 10 20 JECD CN(C)C(=O)COc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 918295809 HJFPCGRVCZQFLE-HXUWFJFHSA-N 455.511 2.006 10 20 JECD CC(C)(C)N1C[C@@H](C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1=O 919699714 YKYHTUUUQDMIFI-SFHVURJKSA-N 454.550 2.206 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 919968608 JMEWJPHMRHGDKP-QHCPKHFHSA-N 487.622 2.283 10 20 JECD C[C@@H](NC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 920868269 BNBRCRYIFUCAAB-MRXNPFEDSA-N 491.570 2.307 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(-n4cnnn4)cc3)n2)cc1 1322377439 RHNIAYDSPBGCBF-UHFFFAOYSA-N 455.525 2.223 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc3c(Cl)cccn13)C2)c1cc(O)nc(O)c1 1777848327 QFHZDNFASINBHZ-UZUQRXQVSA-N 485.928 2.235 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3ccn(-c4ccccc4)n3)C2)C1 1780346267 WSVMAMHUWBACDS-TTZARTBGSA-N 490.516 2.146 10 20 JECD COc1ccc(CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c(OC)c1 1781672589 QIQFIFYLYBHTHL-QFQXNSOFSA-N 499.564 2.270 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)C1 1782009724 ZZGBRHIJCUAVQM-JIQFQSSQSA-N 480.945 2.174 10 20 JECD Cc1ccc(C(=O)C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1783742813 XMPGCWCOLHRVRF-HSZRJFAPSA-N 458.898 2.386 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cc(O)nc(Cl)c1 1785697096 BNEHCSIYVOFGPP-NKFCBESUSA-N 482.320 2.412 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccnc(Cl)c1 1786043133 OTLXYMXDFAYBGG-WPNASSTASA-N 473.913 2.159 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccc(CO)c(F)c1 1792091295 AEKDVXVBGHOMPO-UVFQYZLESA-N 478.904 2.290 10 20 JECD COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c(Cl)c1 1794124327 UPDHBBBAUOEIAS-QDMKHBRRSA-N 482.027 2.390 10 20 JECD Cc1nn[nH]c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1796441573 SHTQEUGDJBMNPO-IYWMVGAKSA-N 497.600 2.083 10 20 JECD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)ncc1[N+](=O)[O-] 1797071362 ZQBYFFHUJZQEIL-VBUUOAMHSA-N 476.493 2.343 10 20 JECD COc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c1 1799770470 XIZOAFOVYHKRPD-DBWKPXFBSA-N 464.877 2.416 10 20 JECD COc1cc(C)c(C)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1800800478 UVDXRJXMGGKLBU-MUJYYYPQSA-N 461.609 2.424 10 20 JECD C[C@H]1[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)CCN1C(=O)OC(C)(C)C 1804626973 BHICCRJETXPHIA-JFMONLCZSA-N 474.558 2.390 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3n(n2)CCCC3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996595 WGOYGBAHLLQTGL-ZHRRBRCNSA-N 462.510 2.054 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](O)CC2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470890 ZSTQGASKTOSZGJ-XZFMWLAQSA-N 489.576 2.431 10 20 JECD Cn1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c2cccnc21 1810074727 PBMSQGRHCPOHOG-ZHRRBRCNSA-N 472.505 2.408 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1ccc(CO)o1 1810831695 DOZXAIZIYKNUBJ-MHECFPHRSA-N 487.516 2.279 10 20 JECD Cc1nc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)sc1C 1811259863 CAIIQUAAUOEBIB-YJBOKZPZSA-N 489.648 2.335 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1[nH]cc2c1CCC2 1811291688 BACAEFDTSYTTSI-IIBYNOLFSA-N 483.619 2.078 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc(O)cc2F)[C@@H]1c1cccnc1 1814189935 KZJLUOKNWZDDNB-JLTOFOAXSA-N 488.566 2.106 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc2c[nH]nc2c1 1817882191 VLIZSZPHYHSWPU-MRXNPFEDSA-N 483.579 2.452 10 20 JECD C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821291626 WHAGNGYIQVTNNR-XHDPSFHLSA-N 484.962 2.461 10 20 JECD Cc1ccn2c(C(=O)N3CCC(OC4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)cnc2c1 1838031780 MEVLCKPKRDUPQJ-UHFFFAOYSA-N 479.537 2.375 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)C3Cc4ccccc4C3)C2)C1 1839435564 PFOVQDLSUAHFPK-RUZDIDTESA-N 486.952 2.236 10 20 JECD CC(C)OCC(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251604 KPARNEWZIIVMAN-SFHVURJKSA-N 491.585 2.162 10 20 JECD COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)cc1OC 18215221 ZIRVGICBOHUBMB-UHFFFAOYSA-N 461.584 2.487 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc([C@]4(C)NC(=O)NC4=O)cc3)cc2F)C[C@@H](C)O1 726235331 ZOAVBSHLUHSSNK-RKPUJPDHSA-N 483.544 2.493 10 20 JECD CCN(C(=O)[C@@H](C)OC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)[C@H]1CCS(=O)(=O)C1 728637121 IENLIISUWDODKU-MJGOQNOKSA-N 464.584 2.485 10 20 JECD NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2)C1 731045534 XBGPLZKJXDXOMB-QFIPXVFZSA-N 483.588 2.359 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 914631742 GPEWQWBEUCDADP-AREMUKBSSA-N 478.549 2.253 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)OC)cc1C 917758444 YSDQZTSRLZUGCD-UHFFFAOYSA-N 470.525 2.131 10 20 JECD Cc1cccc(OC[C@@H](O)CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 920043360 GVTPWGKISLPWCX-NRFANRHFSA-N 494.571 2.490 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3ccccc3Cn3cccn3)CC2)cc1 920253222 UYONOZNUSOYVNT-VAWYXSNFSA-N 459.550 2.461 10 20 JECD CC(C)Oc1ccc(CCNC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 920638216 SHYRGMQZDYFLNV-UHFFFAOYSA-N 450.513 2.067 10 20 JECD C[C@H](NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccc(N2CCOCC2)cc1 920872162 OZLWDCAEEVOZNI-SFHVURJKSA-N 483.594 2.061 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 1778196601 VFEQMRPRBORZIU-DRSNIGMVSA-N 494.038 2.134 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cc3ncccc3[nH]1)CCO2 1782007620 IQYSFHLVFBMXIP-QFIPXVFZSA-N 456.886 2.385 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009197 TWHZHRDBNPTRRE-OYHNWAKOSA-N 453.967 2.173 10 20 JECD C[C@@H](Sc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1784415756 IGIVNSMVYVVTPB-CJAUYULYSA-N 493.589 2.185 10 20 JECD O=C(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1)Nc1ccc(F)cc1 1799769118 NOYHAYIQFMFOIZ-GFENJXEQSA-N 491.903 2.122 10 20 JECD CCn1nc(C(C)C)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804336153 YCHSISNVJIHSJP-QDMKHBRRSA-N 463.629 2.139 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1cocn1 1806018306 TZPWWOHIXKISMT-HTAPYJJXSA-N 458.478 2.182 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3ccccn3n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996233 OMXVSFMQNOQIPM-AOMKIAJQSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCc2cncnc2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808466886 BTZFOOCHCNOPHZ-HFZDXXHNSA-N 497.559 2.303 10 20 JECD CC[C@@H](NC(N)=O)C(=O)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1 1810826732 IYJHXGIETWDABO-OAHLLOKOSA-N 452.939 2.043 10 20 JECD Cn1ccc2c(O)ncc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c21 1811277044 XWNPRTDTWYQSOQ-YCRPNKLZSA-N 488.504 2.114 10 20 JECD COCC1(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)CC1 1814162509 SXWKYFSPQZWEDT-NMOZIBFBSA-N 467.522 2.344 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c(C)n1C 1814190086 QCYQNTYVTBSKEC-UWJYYQICSA-N 485.635 2.217 10 20 JECD CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720348 MUOXBAKOXRWRGO-GFCCVEGCSA-N 491.570 2.478 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cccn(C(F)F)c3=O)sc2C1)c1cc(O)nc(O)c1 1820254116 QAEGADRITOFNTC-JTQLQIEISA-N 477.449 2.046 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)COC(=O)C(F)(F)F)[nH]n1 1823475357 QBXSGTCIQXKHBZ-VUDGCMKMSA-N 498.414 2.338 10 20 JECD O=C(COc1ccc(O)nn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1824561567 YCMWWQITQAQAJQ-SNVBAGLBSA-N 491.913 2.008 10 20 JECD CCOC(=O)O[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1824600374 ASASKAKDAHIMSG-KGLIPLIRSA-N 499.549 2.410 10 20 JECD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1F 1830151424 SWLFUUHGAKKMOM-HSZRJFAPSA-N 494.903 2.283 10 20 JECD O=C(Cc1ccc(F)c(F)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835144444 YMHQPMCIQTXFJX-QHCPKHFHSA-N 496.894 2.342 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)c3ccc(O)cn3)CC2)CC1 1837587374 SXDCZCCSPFKSPD-QHHAFSJGSA-N 483.521 2.230 10 20 JECD CN1CCc2cc(C(=O)N3CCC(OC4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)ccc21 1838031546 NDWIHDNOPRWMAB-UHFFFAOYSA-N 480.565 2.411 10 20 JECD CCc1cc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)nn1C 1838504324 SZNYIWZZWTXYFU-FNORWQNLSA-N 498.580 2.425 10 20 JECD COc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)nn1C 1838561344 CTRAUKYLFZFJMY-UHFFFAOYSA-N 492.960 2.419 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)c2ccc[nH]2)C1 1844407430 DIIROCPCVWYGHM-GOSISDBHSA-N 484.553 2.379 10 20 JECD COC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1845398914 RNEKGMSUJLNUCH-JOCHJYFZSA-N 452.555 2.062 10 20 JECD Cc1nn2cc(CC(=O)N3CC4(CCCN4C(=O)c4cc(O)c(O)c(Cl)c4)C3)nc2s1 1845500524 LDBJDQGJPIZGEB-UHFFFAOYSA-N 461.931 2.224 10 20 JECD O=C(c1ccc2nc(CO)[nH]c2c1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501345 FEIOAIZSIJNQEA-UHFFFAOYSA-N 456.886 2.251 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)C2CC2)C1 1846763196 LOLSSTRVJMACDH-QGZVFWFLSA-N 459.543 2.147 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038767 OYKYXLDZELCCAF-FNORWQNLSA-N 465.506 2.050 10 20 JECD COc1ccc2oc(C(=O)N3CC4(CCCN4C(=O)CN4C(=O)CSC4=S)C3)cc2c1 1847055261 AYLWTOPFDKNKKH-UHFFFAOYSA-N 459.549 2.119 10 20 JECD C[C@H]1CN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC(C)(C)O1 109175539 YCQGLWJVUSCQOS-WXARJGPPSA-N 477.608 2.232 10 20 JECD CNC(=O)c1ccc(OC)c(NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 915706216 CVWGLEAGKKQUAF-UHFFFAOYSA-N 455.559 2.397 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)cc2)C1 918118626 UUIUDWMFZWFSGR-LADGPHEKSA-N 465.598 2.089 10 20 JECD CSc1nc2nc(C)c(CC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c(C)n2n1 919971417 WYZIRCGTFRJMKX-UHFFFAOYSA-N 458.563 2.422 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(N2CCOCC2)cc1 920925142 HUNBTSCUPOVUEV-MRXNPFEDSA-N 461.526 2.328 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1scnc1C(F)(F)F)C2)c1cc(O)nc(O)c1 1777847586 GLSPLHQFZWXOSB-CWTRNNRKSA-N 486.472 2.409 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1779338915 YHTQGQTZKMDFBD-HXUWFJFHSA-N 462.915 2.446 10 20 JECD CCn1nc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1C 1779835924 ROQMRDIWQBLTHV-FFROZUAJSA-N 484.553 2.169 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008266 XQONVMGGIXTGGT-OWJWWREXSA-N 487.940 2.013 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)F)[C@H]2C1 1784892751 HZCJWILZKVKRTB-FWDPORAESA-N 454.804 2.245 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)Cn1ccc3c(F)cccc31)CCO2 1785504059 VYWCJTWKWSBDOX-MXDXTTGUSA-N 495.507 2.441 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790246185 QFUWQYIBTHDCRT-PYWIUJKZSA-N 467.994 2.322 10 20 JECD O=C(CCCc1ccncc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1804602719 XUJQPQUIWONBDC-XXBNENTESA-N 497.646 2.366 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cccc2c[nH]nc12 1808065255 FYVHETMDCQHEPJ-IIBYNOLFSA-N 494.602 2.138 10 20 JECD Cn1ccc2c(O)ncc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c21 1811277040 XWNPRTDTWYQSOQ-QVKFZJNVSA-N 488.504 2.114 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CCc2cncnc2)[C@@H]1c1cccnc1 1814162632 OGOFVZFHPVBVSP-WYCJRWTJSA-N 489.532 2.340 10 20 JECD COCc1oncc1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814164263 WXFKIHOVZLQMGE-FERYEXAHSA-N 494.504 2.366 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)C1=CCCS1 1815273611 HKTQKLPIWJIABV-LBPRGKRZSA-N 451.599 2.283 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1ccc(=O)oc1 1816643133 QZYYLNBEKAFDQN-LJQANCHMSA-N 474.477 2.462 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ncn(-c3cccc(F)c3)n1)CC2)c1cc(O)nc(O)c1 1816722301 WHEHIKYQVPFKMT-ZDUSSCGKSA-N 495.496 2.209 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4c3CCCC4)sc2C1)c1cc(O)nc(O)c1 1816783580 NPXBBYNNAUGMER-LLVKDONJSA-N 454.512 2.091 10 20 JECD O=C(O)CSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1822426764 GDCKDNGEOSTLSH-QGZVFWFLSA-N 484.538 2.013 10 20 JECD CC(=O)Nc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)ccn1 1827973948 OUNDEDFOQMVZTM-IBGZPJMESA-N 467.526 2.393 10 20 JECD O=C(Cc1ccsc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1836102326 VSMOIJDWWLADHN-OAQYLSRUSA-N 466.943 2.125 10 20 JECD Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)nn1C 1836773835 BEXUKHKERTWLLQ-GQCTYLIASA-N 498.580 2.100 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)c1F)CCO2 1838999406 GJGXKUSAUQLVHN-QFIPXVFZSA-N 482.867 2.413 10 20 JECD O=C([C@H]1CCCN(Cc2ccccc2)C1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249025 OXFOBDQMSQRIKL-IBGZPJMESA-N 450.539 2.222 10 20 JECD COC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251510 DHVSPHFDVVRXCA-SJLPKXTDSA-N 491.585 2.020 10 20 JECD COc1ccc(OCC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)cc1 1847034365 JGHZXXKTQUIKFU-ONNFQVAWSA-N 454.479 2.108 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)C(C)(C)C 1847526850 AVMTXMWGSDBNBU-ANULTFPQSA-N 488.629 2.313 10 20 JECD CC(=O)c1ccc(OCCCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(O)nc(O)c2)cc1 1847648505 IJUQAHZNTOEFTL-PMACEKPBSA-N 453.495 2.370 10 20 JECD CNS(=O)(=O)c1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1OC 108452684 XAFSGXSYMZJFJK-GJZGRUSLSA-N 465.547 2.286 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCN([C@H]2CCC[C@@H]2O)CC1 728746236 RQDLAVPIMOGJDN-PMACEKPBSA-N 456.509 2.283 10 20 JECD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCc1ccc(N2CCC(O)CC2)c(F)c1 731051436 MOPBDUOYNSSQHM-UHFFFAOYSA-N 464.881 2.395 10 20 JECD C[C@H](NC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1)c1ccc(N2CCOCC2)cc1 731284034 LUAHQXBUOOBDQT-FQEVSTJZSA-N 483.588 2.481 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2)cc1 743278074 KWIKXWQYXLPCFK-UHFFFAOYSA-N 475.615 2.198 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)cc2)C1 749499038 OZCBWDQDNOGGMX-CTNGQTDRSA-N 478.549 2.038 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(c4cccc(O)c4)CC3)CC2)cc1 916198980 TYCDIFZSHMZNAQ-UHFFFAOYSA-N 453.587 2.445 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCN(C(=O)/C=C\c2ccccc2)CC1 916676269 FDRNRFOPUBHXJG-FLIBITNWSA-N 481.618 2.490 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CSc3nnc(-c4ccco4)n3N)cc2F)C[C@@H](C)O1 917157972 DSHLXPZWNMXBSD-ZIAGYGMSSA-N 460.535 2.413 10 20 JECD COc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2=O)c(OC)c1 917833457 OHVWROOCYQKISL-OALUTQOASA-N 480.565 2.075 10 20 JECD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 918138086 JUBIODTWVRJRSL-LJQANCHMSA-N 476.574 2.162 10 20 JECD Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1S(=O)(=O)N(C)C 918294576 GZJQAQDCCJLRPM-IBGZPJMESA-N 475.567 2.097 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 918309196 HGSIIRRMIVCWHH-DEOSSOPVSA-N 494.592 2.144 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CN3C(=O)COc4ccccc43)cc2F)C[C@@H](C)O1 918964394 RHLDUZSCZZZSJR-CALCHBBNSA-N 485.512 2.024 10 20 JECD O=C(O)CCc1ccc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919730155 QHHTUSPJCDQWFY-UHFFFAOYSA-N 499.568 2.438 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(NC(=O)c3cc(C)on3)CC2)c1 1318182234 DWQJWPWEIKKWEZ-UHFFFAOYSA-N 456.543 2.118 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3ccc4ncoc4c3)C2)C1 1778005984 DZUOLKFOLRDFPW-VWLOTQADSA-N 473.489 2.064 10 20 JECD Cc1ccn(C)c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1780230228 GVJKRYPAOMPQFP-BSZIWHIGSA-N 469.538 2.291 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(N)=O)C3)cc1 1780986008 BOJRSNCMASWNMG-ATIYNZHBSA-N 466.582 2.487 10 20 JECD COC(=O)CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1784049494 YMGQLXHWLINWFT-JOCHJYFZSA-N 468.934 2.318 10 20 JECD O=C(CCc1ccsc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1787022012 ZWNNZHPEGMQMJK-AJDLMDNBSA-N 472.563 2.491 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc(F)cc1F 1789650912 IHEKPMQJDXWKAE-PRSSHNPISA-N 474.460 2.388 10 20 JECD COc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790243000 LDOLKGPFRICQTB-HTZUNMPGSA-N 490.940 2.432 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796602719 UXNWUYXQDWKLLK-SKASMJOVSA-N 472.542 2.144 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncon1)C2 1796748605 AVODKVYRLYYBCO-FCGDIQPGSA-N 484.557 2.040 10 20 JECD COc1cccc(Cl)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1801802764 GXFCDDKBMYUOJY-CJVDLNEOSA-N 488.924 2.382 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Cl)cncc1Cl)C2 1802077471 HHPAVAKCPXUXDW-XIRRHLMSSA-N 494.331 2.422 10 20 JECD CC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)C(C)(C)C 1804282816 DJAVHMYTBYMOBK-VUSMYOQLSA-N 459.543 2.006 10 20 JECD O=Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)s1 1807380983 BGHCGRZJPFSKBO-XOBRGWDASA-N 452.492 2.395 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811796035 BHYPXMJLDQHXBW-CVAIRZPRSA-N 474.945 2.381 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1onc2ccccc12 1812167070 JDQSLKLKWHQUPH-MGPUTAFESA-N 495.586 2.403 10 20 JECD O=C(CCn1ccnn1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1813431665 FIFNVKBLUSOSBA-QRWLVFNGSA-N 470.917 2.148 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)Cc2ccsc2)[C@@H]1c1cccnc1 1814189674 VWUNRKFQKNXCPP-OXJNMPFZSA-N 474.633 2.252 10 20 JECD COc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)nn1C 1818147122 RWBUVHPSMAXRFZ-LJQANCHMSA-N 490.524 2.251 10 20 JECD C[C@]1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)CCCN1 1818147968 SIUFHIRGUWESGL-NTKDMRAZSA-N 463.542 2.337 10 20 JECD COCCn1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)n1 1823475057 JYIQOXCDYGUDCA-IWHGQQBYSA-N 496.524 2.389 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCSCC2)[nH]n1 1823477693 WWZPMNDMGZOJRD-UABRLCRWSA-N 487.582 2.281 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2O)[nH]n1 1823497304 VEQFKUVMLBOLFD-AWEZNQCLSA-N 459.553 2.282 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)[S@](=O)c1ccccc1 1824569196 QFJFNNDZWPXGNT-KUYVIYAPSA-N 486.575 2.371 10 20 JECD Cc1oncc1C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828195479 ODINBQMRQIKNAX-QDBLGGKGSA-N 456.480 2.496 10 20 JECD Cc1nc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)co1 1832898117 AAYHKXHHPKUJFS-MRXNPFEDSA-N 450.586 2.077 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccs1)CCO2 1833939103 SKPGGPGUJMBNRI-HXUWFJFHSA-N 452.916 2.197 10 20 JECD C/C(=C\c1ccc(C)o1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1837583127 CHESRSYWYCCJSE-YYCGMOJISA-N 498.532 2.278 10 20 JECD O=C(c1cccc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433845 WTQMOMUBRBNWCR-QFIPXVFZSA-N 464.877 2.274 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)C2)C1 1840881223 JBXOBBRQRDQMRC-NIAGZWBESA-N 486.565 2.099 10 20 JECD COc1ccc(O)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1 24895628 ILZNFUPGFAMLOS-UHFFFAOYSA-N 458.492 2.495 10 20 JECD COC(=O)c1cc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)ccc1Br 108458093 RJTMYFOOQKDNHK-UHFFFAOYSA-N 463.331 2.408 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(OCC(=O)N4CCCC4)c3)CC2)cc1 726726062 MIBWBXOSSXOJOT-UHFFFAOYSA-N 480.565 2.420 10 20 JECD CN1CCC(CN(C)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 728949884 XABKGEQLEFSVPI-UHFFFAOYSA-N 455.582 2.426 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)c1 729039200 MOYVNPKMYZAZON-QGZVFWFLSA-N 455.559 2.494 10 20 JECD CN(C)CCCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 730680056 IKKQLCYGHURYDW-UHFFFAOYSA-N 458.534 2.248 10 20 JECD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)o1 730932806 PNJOZIAYXDHETK-UHFFFAOYSA-N 457.511 2.362 10 20 JECD COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 741737105 YABVKOHHESXHHR-XMMPIXPASA-N 464.566 2.337 10 20 JECD CC(=O)NC[C@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C1 742830390 IVIVDDTTZPTKFH-OAHLLOKOSA-N 476.511 2.090 10 20 JECD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 743392216 ZPHHBAWVJCIPLR-UHFFFAOYSA-N 493.608 2.279 10 20 JECD Nn1c(SCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nnc1-c1ccc(F)cc1 917178999 BNEZSAWVXHLFST-UHFFFAOYSA-N 460.510 2.182 10 20 JECD O=C(CNC(=O)c1ccc(F)cc1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919761869 QJELFYLOQDCUAK-UHFFFAOYSA-N 466.492 2.128 10 20 JECD CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 919794030 GBRVPCAGJZLLMX-MRXNPFEDSA-N 456.518 2.446 10 20 JECD COc1ccc(N2CCCN(C(=O)CS(=O)(=O)N3CCN(c4cccc(C)c4)CC3)CC2)cc1 919817059 OGYWAKVNLYJEIS-UHFFFAOYSA-N 486.638 2.194 10 20 JECD CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 919840658 VKFXHOLNOBFGON-INIZCTEOSA-N 465.597 2.251 10 20 JECD COC(=O)c1ccc(CN(C)C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 920254693 NCBBQFSAIIDPSK-SEYXRHQNSA-N 451.523 2.345 10 20 JECD CN(CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Cc1cscn1 920415725 DKYKMLYODPHTBH-REZTVBANSA-N 476.605 2.321 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781751305 GTDQDNGDUMLFOM-FQRUVTKNSA-N 466.582 2.452 10 20 JECD COc1cc2c(O)cccc2cc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1782389388 HCQORKZWIUOEOF-RUZDIDTESA-N 479.489 2.118 10 20 JECD C[C@H]1CC[C@H](C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)CC1 1784707603 OJFCNNGWPVRFSC-MPCDZSKCSA-N 452.555 2.436 10 20 JECD COc1ccc([C@H](C)C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785503595 MDPFNEMXBSGZIZ-IWCDIPNPSA-N 482.533 2.459 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1onc3ccccc13)CCO2 1785510328 WANJOVSEMBOBLK-HLZSCNFSSA-N 465.462 2.102 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cccn2ccnc12 1788366053 BWFKRYNSKFRNLI-AXHNFQJDSA-N 470.913 2.306 10 20 JECD COc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1 1792221150 HICFWYAXLIMNSN-QHVXYVIKSA-N 486.496 2.258 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)[C@@H](O)c3ccco3)CCC2)cc1 1792314806 YQFLTXWWNHKSGK-SFHVURJKSA-N 459.549 2.307 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2cccnc2)c1 1794772379 QSWVJDPCIUEOIX-QGZGNFAASA-N 475.505 2.349 10 20 JECD Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1F 1802077766 PYUDIOVLBYKUCB-NXYNRBCBSA-N 456.470 2.168 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-c3cc[nH]n3)cc1)C2 1802079350 CMJDPDWBJUWBIQ-VSICBGQDSA-N 490.516 2.110 10 20 JECD Cc1nc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)no1 1804493786 WPYMPJBLOSCMSN-XOBRGWDASA-N 471.901 2.400 10 20 JECD N=C(N)SCCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1807130272 XKAPFENSUBTNPB-ACJLOTCBSA-N 477.974 2.483 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)N(C)C(=O)OC(C)(C)C 1808001898 ZHUCMQCJKDNBTP-QLVMHMETSA-N 499.568 2.463 10 20 JECD CC(C)NCCC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808467555 HUBMJBBICMGVAU-NBGIEHNGSA-N 476.581 2.268 10 20 JECD O=C(Cn1cnc2ccccc21)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1812969619 JIIHMUMSINTLST-XDHUDOTRSA-N 472.505 2.257 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@H]2CNc3ccccc32)[C@@H]1c1cccnc1 1814185760 FYYJRSMOLLACQL-SGXKBVARSA-N 495.630 2.157 10 20 JECD COC(=O)c1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1 1816728473 QBTANVZKRLSXFY-HNNXBMFYSA-N 482.518 2.204 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)c1c[nH]c(=O)cn1 1820247523 AFERISYIHBBJTA-AWEZNQCLSA-N 458.862 2.177 10 20 JECD COc1nc(C)ccc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1820805063 IXPXHQWFOSYDFF-GFCCVEGCSA-N 455.496 2.201 10 20 JECD CN1N=C(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CCC1=O 1821290787 CVUCTEFYOYHWSM-HNNXBMFYSA-N 474.905 2.388 10 20 JECD CC(C)[C@@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1824254883 XRCYXAJWYUXRCJ-FYYLOGMGSA-N 454.571 2.416 10 20 JECD Cc1cnoc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1829552019 RUACEPQAXISHAT-OAHLLOKOSA-N 450.586 2.077 10 20 JECD O=C(Cc1noc2ccccc12)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441934 JAURSQIJANQXHO-UHFFFAOYSA-N 457.490 2.367 10 20 JECD COc1cc(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)cc(C(F)(F)F)n1 1844684287 JPUFZFZMYYWSOU-UHFFFAOYSA-N 452.389 2.046 10 20 JECD COc1ccc(F)cc1CC(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1846447150 YPHDIKNTJLWQFN-UHFFFAOYSA-N 464.497 2.373 10 20 JECD CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056221 WGJTTXRNXFQXQO-UHFFFAOYSA-N 494.595 2.304 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)nnc2n1 108777595 AYWDEIKAZHUKOS-UHFFFAOYSA-N 477.938 2.098 10 20 JECD CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 726277436 NWBINXBBAJYGCF-FQEVSTJZSA-N 485.551 2.284 10 20 JECD O=C(COC(=O)C[C@H](c1ccccc1)N1CCOC1=O)NCc1ccc(N2CCOCC2)c(F)c1 728378638 HTZKRCOWPDVTOZ-JOCHJYFZSA-N 485.512 2.405 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C3CCN(C(=O)COc4ccccc4)CC3)CC2)cc1 742920842 VELMNVIYZHBNJT-UHFFFAOYSA-N 480.609 2.251 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(Br)cc3F)CC2)cc1 743442410 JONWEQJEPSZVMX-UHFFFAOYSA-N 479.350 2.474 10 20 JECD C[C@H](NC(=O)NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 750325362 AVOGZEAGSGLAEX-FQEVSTJZSA-N 451.571 2.232 10 20 JECD CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 917918618 QWXIFDQJXQKBEM-XYJFISCASA-N 457.568 2.049 10 20 JECD O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 918294700 SKONQHBBGZGLMF-UHFFFAOYSA-N 499.545 2.174 10 20 JECD CCNC(=O)COc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 918295699 SQPJGDRAPLSYCH-HXUWFJFHSA-N 455.511 2.053 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCNC(=O)C(C)(C)C)cc2F)C[C@@H](C)O1 918874647 GZMBBBARWIJFRY-IYBDPMFKSA-N 451.539 2.151 10 20 JECD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1C 919068581 PUCBREXWJAAIDJ-UHFFFAOYSA-N 460.490 2.388 10 20 JECD COC(=O)c1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1782009099 RVKIEAARVGSRCU-DEOSSOPVSA-N 488.924 2.224 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc4ccnn34)C2)C1 1782228489 AGIPSUKDFTZCPP-JOCHJYFZSA-N 456.886 2.156 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)CCO2 1785547127 XXTQGRXVWHMHCU-PJIJBLCYSA-N 493.573 2.045 10 20 JECD COc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1 1786531799 GKOZIAIZPJKAHY-NLAISDGXSA-N 482.533 2.048 10 20 JECD Cc1noc(C)c1CC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807993206 GHSLXLMBBUUKHM-AOMKIAJQSA-N 451.483 2.055 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc3[nH]ncc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995426 YUXOHVHAWPWUPJ-OYHNWAKOSA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnc3ccc(F)cn23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001867 YYNKGSJZAGMSHE-OYHNWAKOSA-N 476.468 2.308 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccon2)[C@@H]1c1cccnc1 1814162433 JXDYXSOZKZAZRF-SFFRXTGVSA-N 450.451 2.219 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cc(=O)cco2)[C@@H]1c1cccnc1 1814162640 OQZXHHJOHKNECY-TXXGBIHESA-N 477.473 2.185 10 20 JECD CNc1nsnc1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162916 ZCLNYNLQFXIFEJ-AGQHJLAASA-N 496.549 2.125 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)CCOc2ccccc2)[C@H]1c1cccnc1 1814185671 DURGXWQNJPRWEH-MBSDFSHPSA-N 498.630 2.417 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cc3cnccc3[nH]2)[C@H]1c1cccnc1 1814189470 QHGIYTSMANRFHV-VFNWGFHPSA-N 494.602 2.138 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cccc3[nH]ncc23)[C@H]1c1cccnc1 1814189811 ZNSMSRGUJUGBSL-VFNWGFHPSA-N 494.602 2.138 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccn3nccc13)CC2)c1cc(O)nc(O)c1 1816729975 XOZUYLWLKQKCKY-GFCCVEGCSA-N 450.480 2.137 10 20 JECD CC[C@@H](NC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1817462763 HYQYHDWDTOOUTE-VQIMIIECSA-N 451.531 2.193 10 20 JECD O=C1C[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CCN1 1821295163 FXCKPEMDKBEWBQ-IAQYHMDHSA-N 461.906 2.306 10 20 JECD C/C(=C/C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1)C(=O)O 1823713296 JQSPNLACXSYZRF-NAXAJZLFSA-N 451.888 2.464 10 20 JECD O=C(CC1CCCC1)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1837613281 CASWKYOXBKGICY-UHFFFAOYSA-N 467.657 2.426 10 20 JECD Cc1nc2ccccn2c1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1843651820 WGUNCDBIPZNJNS-UHFFFAOYSA-N 456.506 2.253 10 20 JECD Cc1ncncc1C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1844512993 PEIZAQRYIPERIO-OAQYLSRUSA-N 494.596 2.320 10 20 JECD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1844701976 SEQHWBSQWMTJRT-UHFFFAOYSA-N 490.520 2.271 10 20 JECD O=C(c1cc(Cl)cc2nn[nH]c12)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038293 JMUWBGMOUMJADS-HWKANZROSA-N 469.885 2.259 10 20 JECD COC(=O)c1ccccc1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(c2ccccc2)C(=O)C1 1847648263 BYHUJSQBAZNKON-GOTSBHOMSA-N 488.544 2.401 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc(-c2ccccn2)nc1 1848297603 FBJZADOBJJQLMX-GGUXULKNSA-N 473.489 2.184 10 20 JECD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cccc(CS(N)(=O)=O)c2)c1 728877978 UUKGPCDMXXDZRD-UHFFFAOYSA-N 452.536 2.219 10 20 JECD CCNC(=O)COc1ccc(NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 743286808 STTNYDVXWBHINT-UHFFFAOYSA-N 455.559 2.154 10 20 JECD CN(CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)S(=O)(=O)c1ccccc1 916456818 UAQBFQSSZCXOSZ-UHFFFAOYSA-N 471.501 2.479 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(C(=O)c4ccco4)CC3)cc2F)C[C@@H](C)O1 916978712 SALKKNYFQUYSBX-HDICACEKSA-N 458.534 2.107 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CSc3nnnn3C[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 917201493 OTKCVHQHHGQKST-INMHGKMJSA-N 464.567 2.013 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 917707444 GRJYYKOVHKAURA-GOSISDBHSA-N 467.497 2.367 10 20 JECD CCC(=O)N1CCC[C@H](C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 919453017 FVADOLPGJZUOGZ-LNLFQRSKSA-N 463.550 2.247 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NS(=O)(=O)N1CCCC1 919670454 YRVQOCRBTBPWTB-LCYFTJDESA-N 490.426 2.107 10 20 JECD C[C@H]1CN(CCCNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C[C@@H](C)O1 919783876 WWFAHGBUOWMJMN-BGYRXZFFSA-N 485.608 2.241 10 20 JECD Cc1cc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1Br 1318014320 KFSNKQKDYWWLQY-CQSZACIVSA-N 469.357 2.317 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)C2)C1 1777788154 LVMYVRJZQZIBFZ-QFIPXVFZSA-N 456.886 2.385 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc(C)c1C(=O)O 1777852244 KBNULAQHTYTPLP-IQGLISFBSA-N 483.521 2.249 10 20 JECD CCSc1cccnc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1780466970 ICXWFXDEXCSQHG-HLZSCNFSSA-N 485.562 2.467 10 20 JECD COC(=O)CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008921 KUVPHBQHXNRTAK-JOCHJYFZSA-N 468.934 2.318 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4ccccc43)C2)C1 1784110181 NRSWJKXLVZGPMU-SDVNCEFNSA-N 464.518 2.377 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cn3cc(Cl)ccc3n1)CCO2 1785505472 JKRSDAUMWIQNJB-NCWHABTQSA-N 498.923 2.261 10 20 JECD COc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1F 1785511859 WTDCPVVZSIQYKF-YFTVHVBSSA-N 472.469 2.108 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC=CCC3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787538538 IFQAPLAWVCQZQP-RQIDZSJNSA-N 450.539 2.115 10 20 JECD Cn1ncnc1C(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788671497 SZXFLSOUEHCVBT-UHFFFAOYSA-N 457.494 2.356 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccnc3Cl)C[C@@H]21 1792217789 MVCJXVOLNTWNQZ-UNPQWULPSA-N 487.940 2.087 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnc(C(F)(F)F)c1 1794885312 IZNKCQMIIBEDIK-CLLJXQQHSA-N 472.514 2.213 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnc(Cl)n1)C1=NN(c2ccccc2)C(=O)C1 1798762641 ZCRRQBQDXJMPBI-RBVVOMGSSA-N 452.902 2.175 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)C1 1802254303 JWDYXJAMYGNEIW-LBHSNNGHSA-N 480.565 2.397 10 20 JECD O=C(Cc1cccs1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1807551761 YVSQHFWIBQBWHV-QRWLVFNGSA-N 474.633 2.252 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ncc1[N+](=O)[O-] 1807992950 FJBZGQFQTAGPDD-QVKFZJNVSA-N 478.465 2.133 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccncn1 1808515708 BLAUPKMGAMZJJS-VYHZTRRPSA-N 461.478 2.021 10 20 JECD COc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)c(O)c1OC 1810554263 IJHWSNFKWUGEGD-UHFFFAOYSA-N 471.510 2.374 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)c3cc4cccnn4n3)sc2C1 1821170380 QUARVUZDYMKKFT-GBVBUYCNSA-N 492.517 2.242 10 20 JECD O=Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)s1 1823497981 JQFGSSZTTYOAIY-ZDUSSCGKSA-N 477.593 2.450 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccncc2F)[nH]n1 1823498215 NXHTUMYZWYCPKV-CQSZACIVSA-N 462.532 2.110 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnncc1C(=O)O)CC2)c1cc(O)c(O)c(Cl)c1 1823712777 WYYYSFPRQUUXGM-SECBINFHSA-N 489.897 2.236 10 20 JECD O=C(COc1cccnn1)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823713146 DVQFSQKFGPYCBE-NSHDSACASA-N 475.914 2.303 10 20 JECD COC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1826379011 CQVWGBYPWLBCAA-IWHGQQBYSA-N 460.527 2.390 10 20 JECD CC(C)(C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2)c1ccccn1 1826531165 HKEJGNIFTKONGK-LBPRGKRZSA-N 489.648 2.288 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)C1CCCCC1)CC2 1828242876 UIKYTBXNCVUFSW-GFCCVEGCSA-N 452.627 2.496 10 20 JECD Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c(O)n1 1829738888 RBHLORYHYHBGFG-QGZVFWFLSA-N 476.624 2.189 10 20 JECD COC1(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CCC1 1832499507 GQGMGMJXEORPLC-KRWDZBQOSA-N 467.657 2.426 10 20 JECD CN1N=C(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CCC1=O 1832876945 OEJSJIPPYCHFEG-MBNRZODZSA-N 484.553 2.045 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)C3CCOCC3)CC2)CC1 1837752263 DRYKXZGACRZBLQ-UHFFFAOYSA-N 482.581 2.205 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)c2ccno2)C1 1842438223 BJRWJMGRNRXGDW-MRXNPFEDSA-N 486.525 2.039 10 20 JECD Cc1nn(-c2ccccc2)c(O)c1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441412 UGJXCDXREVSIEX-UHFFFAOYSA-N 498.543 2.496 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)CCN2Cc3ccccc3C2=O)C1 1843872351 MKZPGKUVUKJYLO-VQHVLOKHSA-N 477.517 2.066 10 20 JECD C[C@@H]1Oc2ccc(C(=O)N3CCCC34CN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)cc2NC1=O 1844731283 QCKAOWBLZDTBEN-GPAKFWEMSA-N 479.489 2.053 10 20 JECD O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1cccc2c1C(=O)c1ccccc1C2=O 10876715 YISAZWXQPOJAAK-UHFFFAOYSA-N 461.451 2.464 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)C1 725824975 AMUCZWDAMADBGC-AWEZNQCLSA-N 452.920 2.428 10 20 JECD C[C@@H](C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)NC2(CCCC2)C1=O 726653611 HPUGVHZARHWPBS-AWEZNQCLSA-N 489.484 2.197 10 20 JECD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 727768248 YCBXLJDNAMVHTK-XXBNENTESA-N 477.565 2.203 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3cc(C(=O)N4CCOCC4)ccc3OC)CC2)cc1 745267880 UVQQUCAHOGUOOF-UHFFFAOYSA-N 497.596 2.120 10 20 JECD C[C@@H](NC(=O)NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 750325365 AVOGZEAGSGLAEX-HXUWFJFHSA-N 451.571 2.232 10 20 JECD Cn1c(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nnc1[C@H]1CCS(=O)(=O)C1 792057642 PHVOYARQSBJQET-ZDUSSCGKSA-N 496.570 2.223 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NCCNC(=O)C1CC1 914440103 UOGWRUIKYNKFJS-NTEUORMPSA-N 468.398 2.293 10 20 JECD CN(C)c1ccc(CN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C2CC2)cc1 917073910 HOTMHTRCWQQOFC-VWLOTQADSA-N 478.593 2.228 10 20 JECD O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918297275 PBCNMLFZNMSTCG-SFHVURJKSA-N 491.541 2.218 10 20 JECD COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCCN(c4ccc(OC)cc4)CC3)cc2)[nH]1 918663759 AHRLGBYLUSYMLM-UHFFFAOYSA-N 464.522 2.242 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc12 918873408 RKQCOVUXXZVSGJ-UHFFFAOYSA-N 488.522 2.143 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cnn(-c2ccccc2)n1 919698176 VGPSEVNVOGGSQG-UHFFFAOYSA-N 458.501 2.453 10 20 JECD CCCc1nnc(S)n1CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919761483 DPEPYRWRXUNNQK-UHFFFAOYSA-N 470.578 2.091 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NCc2cccc(OCC(F)(F)F)c2)c1 920638241 VHAQXTAZOCUSGK-UHFFFAOYSA-N 476.429 2.178 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1783820542 BLMSPJYTZKGRMQ-ATZCPQFDSA-N 497.976 2.258 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790243485 OZWACEJZTAJGBD-CXIBIASBSA-N 474.945 2.240 10 20 JECD COc1cc2c(O)cccc2cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1790435708 FMAUONLJIBWWMB-OHEPNIRZSA-N 493.516 2.267 10 20 JECD Cc1ccc(COCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1C 1796471597 AGTMDRWXKMHIMY-TUGWXJGJSA-N 496.560 2.240 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C13CC(C(F)(F)F)(C1)C3)C2)C1=NN(c2ccccc2)C(=O)C1 1796480364 BWIJSWKBRCEXMV-JFMBKZNISA-N 490.482 2.102 10 20 JECD Cc1cccn2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)c12 1800107314 JPNSNOXUMWJOLW-CCWDJLKJSA-N 470.913 2.224 10 20 JECD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1800575075 VTXWKYRNLOHPFN-YVYNCSQASA-N 464.566 2.195 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccc3c(F)cccc31)C2 1802079191 XCBYXNZRLUGEFQ-HPZQFMCRSA-N 495.507 2.200 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)C1Cc2ccccc2C1 1802198964 ZTQJDTLJNGVSQI-RMFSNUHRSA-N 456.926 2.369 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1cc(O)ncn1 1803741732 PNTVKUFKVCTSGC-ORAYPTAESA-N 469.885 2.275 10 20 JECD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804291605 PNBAUWVFYCMHSG-JLFBVJACSA-N 470.522 2.210 10 20 JECD COc1cc(CCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccn1 1807993890 PTAMJPHBLIHSJW-HOYKHHGWSA-N 477.521 2.244 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc(-n3cncn3)c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999142 HSVHEBUAESIYJN-FDDCHVKYSA-N 485.504 2.102 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ncn(-c2ccccc2)n1 1808556709 ZFHIQGWMHJNUHM-JTSKRJEESA-N 485.504 2.102 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)c3ccc(=O)oc3)C2)CC1 1808866602 GWHZLFHJQQIEEE-ZZXKWVIFSA-N 454.479 2.315 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cnc2ccccc2n1 1808968592 XPVVNSLXRNRUMA-HJPURHCSSA-N 470.489 2.464 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCn2cncn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811809700 OSTLUAOZMAJKLK-YWZLYKJASA-N 470.917 2.148 10 20 JECD Cc1nccc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1814164234 VYZLRLXIZJDNBR-DPLQINJDSA-N 475.505 2.330 10 20 JECD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n[nH]1 1814164290 XVZJREWBIMCIHH-OYOQQZMJSA-N 477.521 2.192 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1c[nH]c2nccc-2c1 1816835321 YVIUDGRVYFOECD-ZDUSSCGKSA-N 450.480 2.317 10 20 JECD Cn1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)cn1 1825934272 ZSUBNYIJXOPVFW-ZLQZBKBYSA-N 454.527 2.484 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2nccc3nc[nH]c23)CC1 1827503440 BHXUISIUWBONCS-QGZVFWFLSA-N 450.499 2.311 10 20 JECD CC(C)c1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)no1 1828242182 BSPSZZMEPHRQJJ-SNVBAGLBSA-N 479.609 2.341 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cnn3cccnc23)CC1 1828540396 LJRVDTBMRPQNPE-GOSISDBHSA-N 450.499 2.083 10 20 JECD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1831814694 FWYIVORVSKAVDD-AQNXPRMDSA-N 471.554 2.482 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(C)n1 1839433303 FFJNGWTXZFLTGE-HSZRJFAPSA-N 475.929 2.147 10 20 JECD CSCC[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)NC(=O)OC(C)(C)C 1843249906 OLYIOLPGSVUOJB-INIZCTEOSA-N 494.614 2.346 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)[C@@H]2ON=C(c3ccccc3)O2)C1 1844198523 OCVZKBTXTOQBEN-NRFANRHFSA-N 457.870 2.303 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(-n4cccn4)c(Cl)c3)cc2)C1 727614618 DGHOBXQFCLIAEQ-QGZVFWFLSA-N 480.956 2.482 10 20 JECD C[C@H](OC(=O)Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 728367757 RVEHWWJECBBPNU-AWEZNQCLSA-N 492.509 2.222 10 20 JECD CCN1CCN(C(=O)CC2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)CC1 731281075 QHAYVZUAWCVNEL-UHFFFAOYSA-N 475.609 2.138 10 20 JECD COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3nc4ccccc4nc3C)CC2)cc1 914469418 RIRYURVYEBUFSA-UHFFFAOYSA-N 454.552 2.210 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)c2C)cc1 914658094 YVHIKKUELRMLRQ-QUCCMNQESA-N 472.563 2.164 10 20 JECD COc1ccc(-c2nnc(SCC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)o2)cc1 916676684 DYCKPYQXZFTKFF-UHFFFAOYSA-N 488.591 2.389 10 20 JECD CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c1 918439141 TUKDIBSRMYVLRP-UHFFFAOYSA-N 451.545 2.037 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)nc12 919070039 QKLWFMPHCPHQBT-INIZCTEOSA-N 464.478 2.197 10 20 JECD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 920924412 ADQZAZZZRTZBPY-DLBZAZTESA-N 454.527 2.313 10 20 JECD Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782006959 CELXJOHKJAYBGN-OAQYLSRUSA-N 480.974 2.160 10 20 JECD C[C@@H](Sc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1784354333 IUXQUPKOVCWCKC-PDWMJMLSSA-N 457.552 2.267 10 20 JECD Cc1cc(Br)ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1790034678 DWJGQLAEQGICQA-KKXDTOCCSA-N 490.354 2.471 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)cn3)C[C@@H]21 1792217762 KEKGUEYXRLRRKL-VRILCFSQSA-N 473.913 2.159 10 20 JECD CCSc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1792401233 RIDFVSYXVSVJTB-JVUDYFJLSA-N 485.562 2.227 10 20 JECD CSc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1O 1798564014 WWKJTHJQYGHSAL-MFKICJERSA-N 494.573 2.110 10 20 JECD Cc1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cc1 1799770815 JQWMLETWFBJTGM-VPTLXERWSA-N 460.914 2.342 10 20 JECD C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O)Oc1ccccc1 1802079441 JIKDNADXLKWSPU-JRGKSQMFSA-N 482.533 2.264 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc(F)c1F 1803695168 RMOBDCKOBUWXKI-ZSBIGDGJSA-N 457.499 2.216 10 20 JECD CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)cc1C(=O)O 1804283764 OJWKMBLXZVUPKO-SEDYWJOHSA-N 484.509 2.244 10 20 JECD O=C(Cc1ccccc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1806519900 JEZJJIFNJVLLNQ-AVRDEDQJSA-N 468.604 2.190 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2nccc3[nH]ccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994452 SAOAIGTZWOUCBN-OYHNWAKOSA-N 458.478 2.398 10 20 JECD Cc1ccc(C(=O)C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1807999618 VGXPGCLNHGANKQ-AVRDEDQJSA-N 460.490 2.399 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c(C)n1 1811225456 ZADMJQQHEGAFQS-UWJYYQICSA-N 483.619 2.273 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)cc1 1811264127 JTKGKXFJKRTEEW-OEMFJLHTSA-N 460.582 2.095 10 20 JECD COC(=O)CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1813141006 UMWJICLRTVCEBJ-UZUQRXQVSA-N 470.526 2.331 10 20 JECD O=C(CCCn1cccc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1813454614 HOYLTMSLYVBGKX-XMSQKQJNSA-N 485.635 2.230 10 20 JECD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n[nH]1 1814164292 XVZJREWBIMCIHH-WXYAUJHGSA-N 477.521 2.192 10 20 JECD Cc1ccn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)n1 1815958340 DENUXHSELWVCEI-DBWMJRBXSA-N 466.498 2.437 10 20 JECD CC(=O)O[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)C(C)C 1817362052 PSEZTZULHUJHLG-QVKFZJNVSA-N 497.577 2.436 10 20 JECD COc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)n(C)n1 1818145772 JIGUHELBFANLGY-GOSISDBHSA-N 490.524 2.251 10 20 JECD CC[S@@](=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146854 JCNNKQXFSYKMQK-TYFQNXAESA-N 484.582 2.353 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@@H](O)Cc1ccccc1 1822079362 IITHCCAEDNWVLY-ROUUACIJSA-N 451.483 2.125 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1822579698 UUYFUNVHPOGSNW-GFCCVEGCSA-N 477.543 2.088 10 20 JECD Cc1cc(C)n(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)n1 1822665025 DITQTMWBISBMMQ-KRWDZBQOSA-N 453.503 2.425 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823500025 KKEJOHLQRJKXIP-ZFWWWQNUSA-N 487.611 2.158 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3c1OCC3)CC2 1828244369 DJNYGADFUKSQOB-LBPRGKRZSA-N 488.616 2.164 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nccn23)CC1 1830937867 LAPRLSICRAFCQC-KRWDZBQOSA-N 485.635 2.428 10 20 JECD O=C(CCc1cccnc1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902738 SJHCDSXCOBRRSM-IBGZPJMESA-N 474.652 2.494 10 20 JECD O=C(CN1CCCC1)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833101377 UYTBRJXESIZYOM-UHFFFAOYSA-N 464.994 2.032 10 20 JECD C[C@]1(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)CC1(F)F 1835133824 BMXGXMNCHHYTIF-XMMPIXPASA-N 487.551 2.396 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4cc(Cl)ccc34)C2)C1 1836418474 WBMFQURWQCPBSJ-QHCPKHFHSA-N 486.912 2.011 10 20 JECD CCCCCc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)s1 1836419502 KNHFLSNHUDUQJS-HSZRJFAPSA-N 490.582 2.066 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)c3ccc(O)nn3)CC2)CC1 1837368868 NRQRZCKHQPLQQW-UHFFFAOYSA-N 476.917 2.173 10 20 JECD COc1cccc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)c1 1838587137 ZMSHEZXVOYVVSJ-UHFFFAOYSA-N 491.635 2.168 10 20 JECD CC1=CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CC1 1840880779 LHNKSUNZZHORPE-SKEHMEGCSA-N 472.538 2.019 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)C1=COCC1)C2 1844251677 QIAMPKAOQDPYGF-SFHVURJKSA-N 487.553 2.041 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)C1 1845938396 QLYOWYZYTAUHOR-UHFFFAOYSA-N 489.516 2.451 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C 18400024 XGFOJJXPKVYCGU-UHFFFAOYSA-N 485.526 2.151 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CCN3C(=O)COc4ccccc43)CC2)cc1 24088958 PJKPPENPJATLPZ-UHFFFAOYSA-N 452.555 2.139 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(NC(=O)[C@H](C)OC)c3)CC2)cc1 726726822 CBZCEQQORJVJCJ-INIZCTEOSA-N 454.527 2.392 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 728979888 PTGLTXKJXGJFHS-SFHVURJKSA-N 489.594 2.200 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 729923870 KRHVSSCOBWGMMO-OAQYLSRUSA-N 498.605 2.258 10 20 JECD COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 746991087 XEHJQSNSSNMJIW-UHFFFAOYSA-N 473.501 2.491 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NCCC(=O)N1CCOCC1 914608074 XLXQKCWPDPHKRJ-PTNGSMBKSA-N 498.424 2.015 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(CC(=O)Nc4ccccc4)CC3)cc2F)C[C@@H](C)O1 916974487 KLGPCUHVBRQEEB-OYRHEFFESA-N 497.615 2.312 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(C(=O)NC4CC4)c3)cc2)C1 918464599 XEUCAGQKPGARJF-MRXNPFEDSA-N 497.983 2.189 10 20 JECD CC(C)(C)OC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781123068 RJJSCDGLIFSITA-UZUQRXQVSA-N 497.976 2.403 10 20 JECD Cc1ncc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)s1 1784438997 WLIGOQWGRVDRLV-HXUWFJFHSA-N 451.932 2.202 10 20 JECD Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cc1 1786556225 ZINSVNKCSACUJH-ZNTKURTCSA-N 466.534 2.347 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)cc1F 1787290221 JLHUNROYRKKGFY-QRFRQXIXSA-N 457.502 2.166 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)cc1 1789590520 RXROTLJTXKGFFX-HARLFGEKSA-N 476.533 2.081 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4N3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245992 ASCICQNEAHJPMA-SCNUJWJTSA-N 471.941 2.381 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479276 LPTNXMZTFWAIRI-UCHSUYAGSA-N 490.535 2.312 10 20 JECD Cc1nc2ncccn2c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796934260 GMJPYFDRSMNOSO-GGPHIMKMSA-N 471.521 2.082 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1801934128 FKUDULIKCWAPKI-MKAFYLPCSA-N 486.569 2.392 10 20 JECD CN1CCCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1803171486 MFQKCYIKMMWZBE-PBXXJUDPSA-N 488.592 2.365 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(Cl)nc3n[nH]cc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994960 WPDBNFBDSIAHNI-RBZFPXEDSA-N 493.911 2.446 10 20 JECD CCc1[nH]nc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1Cl 1807995461 YZTPFJHBUWJZJK-RBZFPXEDSA-N 470.917 2.460 10 20 JECD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cn1 1808463692 FGYVWYQKHFZAIX-DVECYGJZSA-N 483.532 2.293 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnsn2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808464119 JIMLXKHGCOWSRZ-IERDGZPVSA-N 475.534 2.046 10 20 JECD Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808470443 WQQJBKREDKUESR-IBVKSMDESA-N 499.575 2.463 10 20 JECD Nc1c(C(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)sc2nccnc12 1809927350 AYUNOSFCQUJQAU-UHFFFAOYSA-N 468.539 2.238 10 20 JECD O=C(COc1cc(Cl)ccn1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810492391 DSUYKJIVNPXGSR-IVZQSRNASA-N 483.912 2.335 10 20 JECD O=C(c1ccc(N2C(=O)C=CC2=O)cc1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810550002 OCLCKOSQBQDZQC-UHFFFAOYSA-N 490.516 2.081 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cnco2)[C@@H]1c1cccnc1 1814161927 NEBXJJRFQMUYHR-SFFRXTGVSA-N 450.451 2.219 10 20 JECD CCc1cnc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1814188855 BWPKVVKGTWTPHG-RDTXWAMCSA-N 489.648 2.280 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc(F)cc2)[C@H]1c1cccnc1 1814190418 ZXTPTIBFKBDUCN-UZLBHIALSA-N 472.567 2.401 10 20 JECD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)ncc1[N+](=O)[O-] 1816725789 PFVXHZIOMDISTH-LLVKDONJSA-N 470.467 2.101 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3noc4c3CCCC4)sc2C1 1816766782 XXENCVRNVXUPTK-JTQLQIEISA-N 491.620 2.096 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3CC[C@H](O)CC3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1826339883 MTAKQSGXZRIAKJ-BFYDXBDKSA-N 481.578 2.399 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)C3CCC(O)CC3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1826352070 MTAKQSGXZRIAKJ-CKDBGZEDSA-N 481.578 2.399 10 20 JECD O=C([C@@H]1Cc2ccccc2CN1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827426435 VNNCXKRKCHEIQD-VXKWHMMOSA-N 464.566 2.441 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccoc1Cl)CC2 1828247589 ZQAXRDNTEPVMLI-MRVPVSSYSA-N 470.985 2.476 10 20 JECD Cn1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)cn1 1832876531 HSXZBRIYDLTJSI-ZLQZBKBYSA-N 454.527 2.484 10 20 JECD O=C(Cc1ccccc1O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900994 ZHQSYPDJFLGHIJ-SFHVURJKSA-N 475.636 2.415 10 20 JECD CCOC(=O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901825 ZDMBUQUJBHVGPG-INIZCTEOSA-N 483.656 2.056 10 20 JECD CC[C@@H](C)[C@@H](N)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1842891813 MMWDKNUHRFBQRQ-DUXKGJEZSA-N 487.645 2.281 10 20 JECD CC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)c1ccc(F)cc1 1847038283 LUECCNMJVAPHRF-ISPXXFMDSA-N 483.496 2.037 10 20 JECD CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)C[C@H]2C[C@H]21 1847082186 GGMMILXJOPNUAG-CYRIWFJWSA-N 499.564 2.418 10 20 JECD CC(=O)c1ccc(OCCCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CSC2=S)cc1 1847649567 NFDCZEUZCIDKCD-OALUTQOASA-N 489.619 2.110 10 20 JECD COC(=O)[C@H](F)C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)=C1C(=O)NC(=S)NC1=O 9769677 DYLKUEIFUQLFCX-OAHLLOKOSA-N 475.885 2.279 10 20 JECD O=C(CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)Nc1cccc2c1C(=O)c1ccccc1C2=O 104602892 DIBPLZTZYAASCP-ZDUSSCGKSA-N 464.503 2.257 10 20 JECD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1 497922277 LSYOWAKLVLBEIA-UHFFFAOYSA-N 461.565 2.008 10 20 JECD COc1ccccc1CN1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 728128494 AODCUKICACLCLS-JOCHJYFZSA-N 465.598 2.424 10 20 JECD Cc1cc(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 777483601 WHEPXCSIMLGNQG-UHFFFAOYSA-N 482.474 2.129 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NC[C@@H](c3ccc(C)o3)N3CCOCC3)CC2)cc1 916233974 RZSSSCIPZPYEBJ-QHCPKHFHSA-N 471.602 2.091 10 20 JECD CCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2cc(S(N)(=O)=O)ccc21 916528057 YDVRQTOPNIXXNT-UHFFFAOYSA-N 489.623 2.153 10 20 JECD COc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1OC 918224727 VNYBVYHHNYATAF-UHFFFAOYSA-N 486.544 2.347 10 20 JECD CCC(=O)N1CCC[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 919455286 RIPWHNZSKJMTML-KRWDZBQOSA-N 475.567 2.116 10 20 JECD Cc1cccc(N2CCN(CCCCNC(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)c1 919815283 WNRRRVPGRVCJCI-UHFFFAOYSA-N 460.600 2.404 10 20 JECD C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(N2CCOCC2)cc1 920869252 QNEBWGUWKVQPNT-SFHVURJKSA-N 474.583 2.427 10 20 JECD O=C(C[C@@H]1CNc2ccccc2O1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007296 OWWBDYCJRPOFBP-GYCJOSAFSA-N 487.940 2.458 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)CCc3ccccc3F)C2)C1 1784738752 CCJOFRKZUFOSDP-HJKZNEBBSA-N 470.497 2.418 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ccoc3c1)CCO2 1785509207 PFDBTAJGCBEBCO-JWZSXRADSA-N 465.462 2.102 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccc(F)cc1F)CCO2 1785510287 TUUGJAOYCSGZHX-VWLXRYFESA-N 460.433 2.239 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4ccoc4C3)C[C@@H]21 1792217430 CFEHZKDPSLXEKM-ZVANBJHGSA-N 482.533 2.194 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)C[C@@H]21 1792239411 UQTKBSSIVUQYFF-UYBBGVAXSA-N 498.630 2.021 10 20 JECD NC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccccc1 1796126301 IKEQHZFFRXJMHM-FAAKFBLSSA-N 451.523 2.197 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnn1)C2 1796748742 HYDDWBJTWBULEP-XAPVIXHLSA-N 494.596 2.447 10 20 JECD O=C(CN1CCc2sccc2C1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804271543 ULFPVKHROLRXAG-OSPHWJPCSA-N 493.589 2.327 10 20 JECD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804291601 PNBAUWVFYCMHSG-FSUWWEFTSA-N 470.522 2.210 10 20 JECD Cc1ncccc1CCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1804309376 NYDOYGKTRCJUDY-WMZHIEFXSA-N 497.646 2.284 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3n(n2)CCC3)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468131 ORPJABRVQVJBMR-CLOONOSVSA-N 497.559 2.337 10 20 JECD Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c2cccnc21 1810074724 PBMSQGRHCPOHOG-KSFYIVLOSA-N 472.505 2.408 10 20 JECD CO/C=C(\C)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1810145196 XBSAXGBXIBHIAH-GRCQMEJFSA-N 461.522 2.431 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)N1CSCSC1 1810401172 GGFFZPRWSLIVHS-KKVAFCGZSA-N 489.623 2.250 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cnccc1Cl 1810614988 CBGZERWDACTESB-IFXJQAMLSA-N 490.010 2.310 10 20 JECD O=C(CCn1cncn1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1813320507 PZXRNWRHHUVWLC-YWZLYKJASA-N 470.917 2.148 10 20 JECD Cc1[nH]nc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)c1F 1814163022 VNSJXFOYUZOIFX-BBDJDOAOSA-N 481.484 2.402 10 20 JECD COCc1oncc1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814164264 WXFKIHOVZLQMGE-NGOAQKHGSA-N 494.504 2.366 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1cc(=O)cco1 1816648739 IQYAVZZIVSGGEV-IBGZPJMESA-N 474.477 2.462 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cnc4ccoc4c3)sc2C1 1816894891 XYNKCIGKUKKQMG-LLVKDONJSA-N 487.588 2.370 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCCC2=O)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821292704 CYCJJFNJJYKGMK-HNNXBMFYSA-N 461.906 2.403 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822775547 VOODVHSUNJXNHK-CZUORRHYSA-N 452.471 2.384 10 20 JECD O=C(CC[C@@H]1CCOC1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1823033638 WUQAFGRIRHHKPR-HIFRSBDPSA-N 465.601 2.079 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cccn2)[nH]n1 1823475026 IUACRMQCDJYURT-IQIBNGDESA-N 452.471 2.129 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)CC2CCOCC2)[nH]n1 1823497284 UVOSQNXYUTWFLU-HNNXBMFYSA-N 465.601 2.079 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1cc2cccnn2n1 1836078828 RHPOSTIQXJIJIP-UHFFFAOYSA-N 498.971 2.293 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838428018 KZLDYWRIAIDUGJ-AWEZNQCLSA-N 479.961 2.054 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)n4ccnn4)C3)C2)cc1 1839348088 AQUXCUKBBXJLCQ-RLWLMLJZSA-N 492.580 2.017 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1839659986 DBYHOMPGUKUUOG-GYCJOSAFSA-N 489.956 2.095 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1cnco1)C2 1843330892 RFIRDMWPIWAXNF-GOSISDBHSA-N 469.542 2.210 10 20 JECD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)n1 1843586550 NSMZXTNEBZGXBQ-UHFFFAOYSA-N 462.846 2.194 10 20 JECD Cc1noc(C)c1S(=O)(=O)N1CCCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CC1 13268940 CILDMTIJXFRBBA-FNORWQNLSA-N 450.473 2.198 10 20 JECD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726566018 WDKUVXQXKMZHJD-UHFFFAOYSA-N 484.503 2.445 10 20 JECD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 728949636 UPUAJXCGQMPFPL-CMKODMSKSA-N 492.592 2.382 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCC(C(=O)N4CCCC4)CC3)CC2)cc1 916197976 DEHKIWFGOWVSNT-UHFFFAOYSA-N 457.619 2.251 10 20 JECD CC(C)(C)C(=O)C=c1sc(=Cc2ccc(N3CCOCC3)cc2)c(=O)n1CC(=O)NC1CCCC1 916220149 ZDBWEZVDQPNVGI-UHFFFAOYSA-N 497.661 2.030 10 20 JECD O=C(NCCCN1CCN(c2ncccn2)CC1)NCc1ccc(N2CCSCC2)cc1 916267712 XACCFUGPWOCYPP-UHFFFAOYSA-N 455.632 2.041 10 20 JECD O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916457402 BFJPHKNZINCHLX-IRXDYDNUSA-N 453.461 2.333 10 20 JECD CCc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC2=O)cc1 918334959 JEJGSMIDKDDBMP-FQEVSTJZSA-N 455.580 2.153 10 20 JECD Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918340246 OBZWUQHLEAIEJS-UHFFFAOYSA-N 469.611 2.377 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3cccc(F)c3)cc2F)C[C@H](C)O1 918867044 FMJHNJAHBYEZMU-HOTGVXAUSA-N 475.492 2.168 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 919663616 NOHXHRASDBVWPS-UHFFFAOYSA-N 458.946 2.476 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NC1CCN(C(=O)C2CC2)CC1 919782058 CBPYCVAYBBJDGW-UHFFFAOYSA-N 481.576 2.143 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 920636681 WOTSPVDFPIRTJE-KRWDZBQOSA-N 476.507 2.055 10 20 JECD CSc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1O 1777850678 DHGIZXJWUBYTPW-UZUQRXQVSA-N 473.551 2.362 10 20 JECD Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)n[nH]1 1781122331 ZQVKVIKEBARVHB-XMSQKQJNSA-N 462.934 2.153 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)[C@@H]1C[C@H]1c1ccccc1 1782129943 ZPZDGAWGNQOISL-TXNPELCJSA-N 451.523 2.424 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510448 KPNQQNOVUONQBE-DVMGJAEMSA-N 468.506 2.114 10 20 JECD CN(C)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cc1 1789588043 ZPNYPKSYTGXCNH-ZYNMFJCASA-N 481.549 2.176 10 20 JECD COc1ccccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1793151257 OWHAAJXSHWNBJP-ZJZZYZHZSA-N 490.560 2.010 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc3ncccc13)C2)C1=NN(c2ccccc2)C(=O)C1 1796479243 LFIRVEOLSSFPJC-VXECKQGCSA-N 497.555 2.160 10 20 JECD Cc1cc(F)c(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796480827 LCGMQIBAGQQRRS-RSQQPWMTSA-N 482.487 2.269 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccnc2ccccc12 1796775492 WHWPVNPQVHKOPM-LWDWJGHZSA-N 483.528 2.231 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)n2ccnn2)C3)cc1 1799622694 YHMIQNMXARDTLP-DXKRWKNPSA-N 462.554 2.150 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(Cl)cnc1O 1802329766 FESUKLPYBMQMOG-DJJJIMSYSA-N 469.885 2.275 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1803932846 VZCRXSICCFWGQA-BLIXFSHQSA-N 497.552 2.217 10 20 JECD COc1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)cc1F 1804283944 QATBQVRVATXMKW-NCSLWMNCSA-N 457.458 2.311 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1ccon1 1805996591 VYXJYWRBOXFJSA-VGSWGCGISA-N 458.478 2.182 10 20 JECD CC(C)(O)CC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1806776049 DYMGOFPRHFNKMT-FDDCHVKYSA-N 463.538 2.041 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3cnccc3n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996460 SWKDYUJMNVSHMH-UZUQRXQVSA-N 470.489 2.464 10 20 JECD Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(-n2nccn2)c1 1811445698 INENHHSZQGSNAT-KOSHJBKYSA-N 499.531 2.410 10 20 JECD O=C(Cc1ccccn1)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1815741769 KQYAFXWMJGCYND-MRXNPFEDSA-N 474.546 2.486 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1Cc3ccccc3N1)CC2)c1cc(O)nc(O)c1 1816728703 NEZXGUDWUKBJJL-BBRMVZONSA-N 451.508 2.212 10 20 JECD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)n1ccnn1 1821726219 JTLAXJHSAHLUQL-HDZMBNNRSA-N 467.486 2.085 10 20 JECD Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)nn1C(F)F 1823499987 IZXBWNOLHLFIBH-ZDUSSCGKSA-N 497.553 2.476 10 20 JECD O=Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)s1 1828242540 KXAGGAQVPRTTSV-SECBINFHSA-N 480.618 2.103 10 20 JECD CC(=O)O[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)C(C)C 1828772743 DVFBIHAAOYDCAA-FXAWDEMLSA-N 483.656 2.054 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc[nH]2)CCO3)cc1 1834105848 HAGMBVQUXOJFFF-VWLOTQADSA-N 463.538 2.201 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC4(O)CCC4)C3)C2)cc1 1839349511 YVRICYRKYQVGKL-MHZLTWQESA-N 481.593 2.469 10 20 JECD C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)c1ccc(N2CCOCC2)cc1 109180996 XQJFWHPWKILSGL-HNNXBMFYSA-N 455.536 2.321 10 20 JECD Cc1ccnc(NC(=O)CN(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 727831343 WWLKFOCRDIRJRH-HDICACEKSA-N 457.550 2.329 10 20 JECD C[C@@H]1COCCN1CCNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 729386138 QBAWNLJCWZXNSN-YDRQLGOLSA-N 484.441 2.487 10 20 JECD CC1CCN(c2ccc(CNC(=O)N3CCN(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)cc2)CC1 731048016 CKTLCTVZCZBRSP-SFTDATJTSA-N 493.674 2.104 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 747550330 MSCPKJFNXDCKMQ-UHFFFAOYSA-N 482.606 2.309 10 20 JECD C[C@H](OC(=O)CCCN1C(=O)CCC1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 915557895 LDJQVQKNFCQKNQ-AWEZNQCLSA-N 462.458 2.261 10 20 JECD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 918287600 QRFCIAISEXBXGT-GJZGRUSLSA-N 472.517 2.062 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccccc3NCCO)cc2F)C[C@@H](C)O1 918811337 HLCRXHMXTSNZNC-IAGOWNOFSA-N 459.518 2.317 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCNC(=O)c3cccs3)cc2F)C[C@H](C)O1 918888946 FVTFWJZVRGPNPE-HOTGVXAUSA-N 477.558 2.480 10 20 JECD Cc1cc(C(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)c(C)n1-c1ccc(Cl)cc1 919520847 IBDSRECCUVZBEU-UHFFFAOYSA-N 460.962 2.137 10 20 JECD O=C(Cn1nc(-c2ccccc2)oc1=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919698241 YIRUQWHDBVFFJC-UHFFFAOYSA-N 489.511 2.075 10 20 JECD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 919840675 ITQPMPWZMOAIHB-UHFFFAOYSA-N 489.575 2.245 10 20 JECD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 920482331 MRSRDCYOGPMTRD-CQSZACIVSA-N 481.552 2.077 10 20 JECD C[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 920637615 LBTXRVLOWXFNGW-VIFPVBQESA-N 458.395 2.269 10 20 JECD C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1)n1cncn1 920924707 DCYKXTRXPAZLBS-MSOLQXFVSA-N 491.552 2.130 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncc(Cl)cn1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126307 QNXNJUINAPUHBQ-NTKDMRAZSA-N 496.955 2.050 10 20 JECD O=Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)s1 1782001494 MITGGDRSKMQEDW-FQEVSTJZSA-N 450.900 2.383 10 20 JECD CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1783176953 COPJAPAQGJYAFP-CLOONOSVSA-N 452.555 2.062 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1784804532 YMLCHNFQIYDUAS-JTSKRJEESA-N 451.951 2.068 10 20 JECD Cc1ccc(OC(C)(C)C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)nc1 1785510428 ZXEBKCPFGYNBOJ-MDRWGITRSA-N 497.548 2.208 10 20 JECD Cc1nc(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)s1 1785983273 SNMIEXDNAVSGCR-QRFRQXIXSA-N 481.578 2.146 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc4cnccc34)C[C@@H]21 1792217631 DYUZCRWBYLKUNV-OTTFHORNSA-N 490.516 2.053 10 20 JECD Cc1ccc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)s1 1801327768 UFRYQBLZUQRWOQ-YCCWKVCLSA-N 478.574 2.452 10 20 JECD Cc1cc(F)c(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1 1802079398 GXWBGGZZWZSMBQ-PWRVDJJQSA-N 474.460 2.307 10 20 JECD CN1N=C(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)CCC1=O 1804125403 WINJHGLNWGAPMH-JLTOFOAXSA-N 485.928 2.074 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1cc2n(n1)CCCC2 1804285616 BUEUZIPMNVNYIR-ZBTRPWJCSA-N 452.511 2.301 10 20 JECD CC(=O)c1cc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n[nH]1 1805262483 BPXLDDKWCOXPLN-NGOAQKHGSA-N 491.504 2.157 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1ccc(=O)oc1 1806116862 HSVFKYWHYRUIMX-KOSHJBKYSA-N 485.500 2.147 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccnc2S)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991418 HELPNDAJBZVEJM-LIRRHRJNSA-N 451.508 2.205 10 20 JECD CCC1(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)COC1 1808470241 UPWBAKYFOMFZGH-WMZHIEFXSA-N 475.549 2.307 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2ncccn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811799657 XZRRGLCFKIETKN-QVKFZJNVSA-N 467.913 2.499 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811805894 FWVRIKUYAINTOC-SJKOYZFVSA-N 457.874 2.208 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CSc2nc[nH]n2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810726 WXZCLNVMTLXCQU-FZKQIMNGSA-N 488.957 2.376 10 20 JECD CC(=O)CCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162011 FALIINBRVRRWOC-VSEMJTJDSA-N 453.495 2.287 10 20 JECD C[C@@H](Cn1ccnc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1826835594 BQGUECRNFGPUSW-PFORQJHVSA-N 483.550 2.418 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccn3ccnc3c2)CC1 1828624335 FIRRYFZXXDKNRV-SFHVURJKSA-N 485.635 2.428 10 20 JECD Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834513187 GBBGCBAEDUYUCR-UHFFFAOYSA-N 452.555 2.229 10 20 JECD CO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1840210241 HKFZKCUXSXJSRA-NLFFAJNJSA-N 455.555 2.199 10 20 JECD Cc1c(F)cccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880016 SOINHZWSGXWQIJ-UVXPNCNTSA-N 486.496 2.034 10 20 JECD O=C(c1cc(Cl)c(O)cc1O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038229 ILDRDUSLJANWBJ-HWKANZROSA-N 460.870 2.398 10 20 JECD COc1ccc(Br)cc1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054710 LYZAZDYEFWFJDL-UHFFFAOYSA-N 498.424 2.135 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc([N+](=O)[O-])o2)=NN1c1ccccc1 1847652650 HIWMHIBNZLPJTN-HZJMMZBYSA-N 463.450 2.196 10 20 JECD COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 743432541 PPBPBWSHYGXKQR-UHFFFAOYSA-N 474.945 2.012 10 20 JECD COc1ccc(NC(=O)COC(=O)c2ccc(C)c(O)c2O)cc1S(=O)(=O)N1CCCCC1 750618361 HAJMARZUZLAERJ-UHFFFAOYSA-N 478.523 2.385 10 20 JECD C[C@H](NCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1cccnc1 781174585 GCROVNAUNHJWRV-VAODSVERSA-N 470.576 2.479 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NCCCn1cncn1 915159623 ORFSAXYXLSNASZ-RIYZIHGNSA-N 466.386 2.448 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCc3ccc(CS(C)(=O)=O)cc3)CC2)cc1 918102680 ZHEZNUQHGAQQSO-UHFFFAOYSA-N 474.627 2.251 10 20 JECD O=C(CCn1c(S)nnc1-c1cccs1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918336094 VOOQSNVKWPNTKZ-UHFFFAOYSA-N 477.637 2.237 10 20 JECD CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 918465850 UEGBUJJAFJVQNF-KRBJHKROSA-N 478.549 2.220 10 20 JECD CCNC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c(C)c1 919659134 NBJCGLJLUCLBHY-UHFFFAOYSA-N 481.597 2.020 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 919814872 SDTIHHCBZJLPQL-UHFFFAOYSA-N 471.457 2.381 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1[C@H]2C=CS[C@H]21 1781538086 XQFKSTXZJNDCEI-ZREIBLAZSA-N 472.563 2.206 10 20 JECD Cc1nc2ccc(F)cn2c1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1782306464 FNUOKAGWWZMTFP-UWCCTICSSA-N 496.495 2.056 10 20 JECD Cc1ccc(F)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783244279 PQZLAPVQNOGPEI-VGOFRKELSA-N 479.599 2.122 10 20 JECD CC(=O)Nc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cc1 1792004869 HQDWTZVQEACXNN-CUDYJJFBSA-N 495.532 2.069 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(F)(F)F)[nH]1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480945 WNXBAXMGWCUMLG-VTEUUUEMSA-N 489.454 2.030 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccncc1-c1ccccc1 1798342928 WZUJFIRSFGPGIX-FEJSZKPUSA-N 460.490 2.072 10 20 JECD COc1nc(C)ccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1798939379 FZITVMRMNXNDLI-GGPHIMKMSA-N 461.522 2.443 10 20 JECD COc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799766857 AQZXKOCSUSSYGQ-USGNIVHTSA-N 476.913 2.042 10 20 JECD CN1CCCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1803171482 MFQKCYIKMMWZBE-JHMXWDHMSA-N 488.592 2.365 10 20 JECD C[C@H](C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1)n1ccnc1 1805732515 XPPPIZGWUPCFOA-LJQANCHMSA-N 462.554 2.468 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc(O)c(F)c1 1810986738 IDLIIMCQTYGMND-MGPUTAFESA-N 488.566 2.106 10 20 JECD O=C(CSc1ccncc1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815775778 AZKANUCJWIGQGY-HNNXBMFYSA-N 490.636 2.449 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3nccc4occc34)sc2C1 1815930261 UUGXKVAEIAQLGV-SNVBAGLBSA-N 487.588 2.370 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CC2)c1cc(O)nc(O)c1 1816728937 OCIVKISIVWABQY-YZYGWBJASA-N 491.529 2.085 10 20 JECD CN1CCC(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)CC1 1817357357 NIJXMINATQQFEM-MRXNPFEDSA-N 480.594 2.190 10 20 JECD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848581 QUFVFNHUBQYMKB-RDTXWAMCSA-N 478.509 2.340 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cc(Cl)ccn3)sc2C1 1820395033 VBQCHJKCXDZMCT-SNVBAGLBSA-N 482.012 2.278 10 20 JECD Cn1ccnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476981 VDJGVCGGDIGMHL-VFADXPBXSA-N 452.471 2.279 10 20 JECD Cc1nn[nH]c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1827312355 HGIKSZYZQMENKC-DBWMJRBXSA-N 455.515 2.177 10 20 JECD Cc1nn(C)cc1C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828195245 JPOIZOUMHGMCKT-GBVBUYCNSA-N 469.523 2.241 10 20 JECD CCc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)no1 1829381204 VNAXZBXJYDZXTI-KRWDZBQOSA-N 464.613 2.331 10 20 JECD CN(C)C(=O)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830736259 AVTDBHPZBKURCN-QGZVFWFLSA-N 466.966 2.256 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1ccc(F)cn1 1834298292 NUNUPNPKAGZXTB-QHHAFSJGSA-N 484.528 2.236 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)Cn3ccc4c(F)cccc43)CC2)CC1)c1cc(O)nc(O)c1 1834985904 OWJPQJMTLAKJIU-UHFFFAOYSA-N 495.555 2.472 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)Cc3ccccc3F)CC2)CC1)c1cc(O)nc(O)c1 1834988037 LGHJJNQUHPOQPQ-UHFFFAOYSA-N 456.518 2.060 10 20 JECD C[C@@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)O1 1838280903 VICONMOYURZPCF-KJCXQENCSA-N 474.554 2.383 10 20 JECD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1841582993 LJHXWVQORRRONI-IBGZPJMESA-N 472.611 2.239 10 20 JECD CCOC(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1845515198 DJLFIMXKMFXGSV-UHFFFAOYSA-N 474.517 2.473 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034951 PWCZFHLJUZMAOX-BVBGJJFLSA-N 473.526 2.029 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cc(C(=O)N(C)C)ccc3OC)CC2)cc1 726726063 MICXUVUQDCEBSJ-UHFFFAOYSA-N 454.527 2.129 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3sc(-c4c(C)c(C)nn(C)c4=O)nc3C)CC2)cc1 742920864 VUZNYFWXAZRMCA-UHFFFAOYSA-N 496.637 2.390 10 20 JECD CCS(=O)(=O)Nc1ccc(NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1OC 742928339 NYDMDKYDYFZQKV-UHFFFAOYSA-N 491.614 2.409 10 20 JECD COc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc1S(=O)(=O)N1CCOCC1 746752452 ZCJBVEHWXUFCGZ-UHFFFAOYSA-N 474.583 2.420 10 20 JECD C/C=C/C=C/C(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 825191915 NKXFCZBSIZLPRU-NCPWVEAFSA-N 460.533 2.408 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCc3ccc(N4CCO[C@H](C)C4)nc3)CC2)cc1 916196850 QMCKPZZXYWHSHF-OAQYLSRUSA-N 482.629 2.327 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)C1 918464959 FTVZYOVLVPZKIU-CQSZACIVSA-N 459.890 2.205 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)nc12 918823757 RFZJRXDECVDDDJ-UHFFFAOYSA-N 498.517 2.177 10 20 JECD COCc1oncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1778344255 FHZGJWAUSYQSHI-XMSQKQJNSA-N 479.917 2.327 10 20 JECD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c(C)c1 1780866154 JOQMQXHZKNBXLW-SANMLTNESA-N 476.533 2.240 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)cc1 1781752406 NCPOSXAUUDOBGK-QFQXNSOFSA-N 464.566 2.064 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1c(Cl)cncc1Cl 1783425556 MLEUUWNUTMTMLW-WBIUFABUSA-N 467.309 2.102 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc(Cl)s1 1794690077 BQSDVGGWRRDLFH-WFRBFAAJSA-N 464.927 2.435 10 20 JECD COC(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)Cc1ccccc1 1796602644 SLNUNUILBDAUHA-REPLKXPHSA-N 468.510 2.013 10 20 JECD CO[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1)c1ccccc1 1799770759 CZBWAVCVMYTJHF-MNDZRTMASA-N 460.914 2.342 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1scnc1C1CC1)C2 1802080922 AWVYQXKVMQYVSN-DOMITNGFSA-N 471.535 2.054 10 20 JECD O=C(/C=C/c1ccoc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1804324947 SEXDRRBDBXLODD-GVDJREIDSA-N 470.576 2.254 10 20 JECD COc1cc(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)n(C)n1 1807527010 JOKNGLVVLYGSTJ-FNORWQNLSA-N 470.526 2.104 10 20 JECD COc1cnc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(F)c1 1807990970 LNSSHXILHVWUDZ-QKKBWIMNSA-N 467.457 2.064 10 20 JECD COc1cccnc1CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807993941 RHICFJLXAYIVEX-BXKMTCNYSA-N 477.521 2.244 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnnc3ccccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995138 CLTXSVIXZVRGFN-HJPURHCSSA-N 470.489 2.464 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808002615 WVYOVVWIHVRZMJ-WNSKOXEYSA-N 495.467 2.497 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2CCCCC2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468492 REZZOCYRXNRRQE-RLWLMLJZSA-N 488.592 2.366 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1snnc1C1CC1 1808852928 BMPUGKGNDUCHKX-IFXJQAMLSA-N 466.523 2.250 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803103 FNFUWWPUTMWQMK-BTYIYWSLSA-N 472.929 2.088 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)n1cncn1 1813401565 DUVNTRCZZLPHHS-ZXYWRSMDSA-N 470.917 2.319 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccncc2O)[C@H]1c1cccnc1 1814164137 RVCINZANYKXDAG-YEUXVMMMSA-N 476.489 2.332 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@H]1c1cccnc1 1814165512 GSTNCUXZUAQWOT-FVWKHOJJSA-N 475.505 2.354 10 20 JECD Cc1cccc(CC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1814186764 WUQHQSGAZGDLOZ-WMZHIEFXSA-N 482.631 2.499 10 20 JECD COc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cc1O 1814649082 UEAGRNVYUPXCGT-INIZCTEOSA-N 467.482 2.479 10 20 JECD CN1CCC(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)CC1 1817357355 NIJXMINATQQFEM-INIZCTEOSA-N 480.594 2.190 10 20 JECD CCN(CC)C[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1821683075 RXVSPAJEXZSHBC-GOEBONIOSA-N 480.660 2.240 10 20 JECD COc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)nn1C 1823476046 PVVOMKMWPOJUIM-MNDMWVCDSA-N 482.497 2.288 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cn4c(F)cccc4n3)sc2C1)c1cc(O)nc(O)c1 1824136382 GLFPYIFILDLOEU-NSHDSACASA-N 468.470 2.276 10 20 JECD CC1CCN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1824368603 WGVJFWMJKBHSOF-IBGZPJMESA-N 480.700 2.198 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)CN2CCOCC2)CC1 1826718521 LENUCWYFSSCRHB-IBGZPJMESA-N 465.978 2.317 10 20 JECD Cc1noc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)n1 1827147164 IAATTXARQMWWFW-JHTBKMLMSA-N 470.526 2.370 10 20 JECD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)n1ccnn1 1831176890 HBGFNDJFOPZCKR-IESGORFISA-N 469.542 2.289 10 20 JECD Cc1nc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cs1 1832896713 NNNXDUDOAWLMDX-KRWDZBQOSA-N 480.681 2.474 10 20 JECD Cc1nc(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)no1 1837155839 XEEDEFNEZASGGO-UHFFFAOYSA-N 478.933 2.298 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)C(Cl)(Cl)Cl)CC2)CC1 1838031716 HDTMSANYFBRIRF-UHFFFAOYSA-N 466.749 2.475 10 20 JECD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(F)c1 1839432937 ALMAYLSRYWANRI-HSZRJFAPSA-N 494.903 2.283 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1839659988 DBYHOMPGUKUUOG-VOIUYBSRSA-N 489.956 2.095 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)C13CCC(CC1)CC3)CCO2 1840544646 TVCFUMPZYYZAAG-WATXELMPSA-N 486.565 2.243 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cnc3ccc(C(F)(F)F)cn23)C1 1844070399 RZRVNMDNTHASHC-UHFFFAOYSA-N 461.400 2.290 10 20 JECD CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1845151189 CCJYREAQZXJCQD-KBXCAEBGSA-N 462.547 2.249 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1847968239 OKWHGZPVEBZISC-IKGGRYGDSA-N 460.531 2.098 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3nccnc3C(=O)NCc3ccc(F)cc3)cc2)C1 726527034 DJMNZTXSLDIZJP-IBGZPJMESA-N 490.539 2.177 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4F)C3)CC2)cc1 914819320 KZXZLIOHTLXFKB-MRXNPFEDSA-N 473.476 2.218 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(CN2C(=O)CNC2=O)cc1 916688134 QZVBTUBGYUSWBS-UHFFFAOYSA-N 455.490 2.160 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 917833356 PMSQJOJULFOWCP-JOCHJYFZSA-N 498.649 2.422 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)C1 917833454 OFUSPAUUFYHQRQ-NRFANRHFSA-N 484.622 2.493 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(-n4nccn4)cc3)cc2F)C[C@@H](C)O1 918287344 PZZABIRNIXTIIG-HZPDHXFCSA-N 452.490 2.275 10 20 JECD O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918294370 GULOWZZWZXXUIR-NRFANRHFSA-N 467.522 2.011 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 918552923 AVLAFSHMBLFQPT-OAQYLSRUSA-N 499.589 2.119 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCn3c(=O)n(C)c4ccccc43)cc2F)C[C@H](C)O1 918929812 AHEZQXSEPGLQRS-ROUUACIJSA-N 498.555 2.342 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCN3C(=O)COc4ccccc43)cc2F)C[C@H](C)O1 919005540 DTFALYIRJLSLGZ-ROUUACIJSA-N 499.539 2.414 10 20 JECD COc1cc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c(C(=O)N2CCCC2)cc1OC 920195463 SITNFOFBCHWIFV-UHFFFAOYSA-N 496.564 2.031 10 20 JECD CCS(=O)(=O)Nc1ccc(NC(=O)C2=S=C(NC(=O)c3ccc(OC)cc3)C=C2)cc1 1542099969 LEHNDIGDKCGKGH-UHFFFAOYSA-N 459.549 2.431 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)N1CCCC1)C2)c1cc(O)c(O)c(Cl)c1 1781119339 GWXBXLBFHNGPHL-NTKDMRAZSA-N 493.988 2.281 10 20 JECD COc1cccc2[nH]cc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3cc(O)nc(O)c3)C4)c12 1781322355 HEHURLYIQUIGOE-KBMIEXCESA-N 480.521 2.424 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1785563226 YTCCDBXMHRASBP-IZHWHUGBSA-N 487.940 2.013 10 20 JECD Cc1ncc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)cn1 1787221223 UFIXVBORNCPUSZ-UHFFFAOYSA-N 455.565 2.393 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@@H]1Cc2ccccc2N1 1796935024 OOSIAERBBMSMDQ-UFGBVDADSA-N 457.534 2.454 10 20 JECD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(F)c1 1799459304 MFQMQNSDIBVRQA-CPVVTZALSA-N 456.470 2.168 10 20 JECD COc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1 1802081024 JRSUCOKDEIOSDA-MQQIQNTASA-N 482.533 2.048 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc(Cl)nc1 1802291721 FLDKRINGRNRNPD-IFXJQAMLSA-N 490.010 2.310 10 20 JECD O=C(CCc1cncnc1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1807499805 KIGBLPFWWMANRM-LVXARBLLSA-N 497.559 2.303 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cccc2nc[nH]c12 1808007591 LRMKUNKLIDVTIU-BTYIYWSLSA-N 494.602 2.138 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)cn2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468125 ONVRHCRQZCTNMQ-KOSHJBKYSA-N 484.516 2.295 10 20 JECD Cn1cnc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1C(F)(F)F 1808667531 AXQSKFRZXKKQOK-ACJLOTCBSA-N 490.442 2.274 10 20 JECD CCOc1c(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)cnc2c1cnn2C 1810543807 NLNLPZKTCLPILM-UHFFFAOYSA-N 494.552 2.332 10 20 JECD CC(C)n1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)n1 1814189393 GOQXSKYLWITYPU-OXQOHEQNSA-N 486.623 2.039 10 20 JECD CNc1nsnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1814431668 MZWHVRLDGUMNFZ-INIZCTEOSA-N 493.553 2.402 10 20 JECD O=C(CCN1CCOCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1814643412 DNDFWAGOEUEDCC-ZDUSSCGKSA-N 480.974 2.156 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1814676958 ZQGGVEKZRFRYCX-WFASDCNBSA-N 474.518 2.435 10 20 JECD CC(C)c1nc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)no1 1815817430 NPCLSQPUPLKCHO-CYBMUJFWSA-N 491.599 2.011 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1c[nH]c3nccc-3c1)CC2)c1cc(O)nc(O)c1 1816726189 SIVFYRQBQZWIEJ-ZDUSSCGKSA-N 450.480 2.317 10 20 JECD CC(C)[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145727 HWANMQGECHDUJE-RXVVDRJESA-N 452.515 2.212 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3ccc4cccnc4n3)sc2C1)c1cc(O)nc(O)c1 1818974870 JJPJZFLSRSUCMR-ZDUSSCGKSA-N 462.491 2.432 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc(Cl)nn1 1819690757 IINFSKDEVWQZDR-GFCCVEGCSA-N 479.975 2.019 10 20 JECD COc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c(O)c1 1823499983 IPJJTPPGTAEPHM-OAHLLOKOSA-N 489.579 2.290 10 20 JECD Cc1ncc(/C=C/C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)s1 1827125866 CBMHXSGVINDIJY-TZNOJPMFSA-N 493.661 2.394 10 20 JECD O=C(c1ccc(N2CCOCC2)cn1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827426890 MGNRGILUEBBGES-QFIPXVFZSA-N 495.580 2.272 10 20 JECD CC(=O)N(C)CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837040771 POOBMYBAGIZYEV-UHFFFAOYSA-N 481.977 2.232 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1 1841401060 QFUOQGYWFXYEAK-UONOGXRCSA-N 465.547 2.132 10 20 JECD O=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249026 OXFOBDQMSQRIKL-LJQANCHMSA-N 450.539 2.222 10 20 JECD COCCCn1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n[nH]c1=O 25037630 JKICPTLUXFIZQR-UHFFFAOYSA-N 452.492 2.114 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc(N3CCCC3)nn2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 110756867 RNQTXDMIMDSECW-UHFFFAOYSA-N 483.550 2.171 10 20 JECD CC(C)n1c(S)nnc1CNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 731231320 VROWPFYFPRAREK-UHFFFAOYSA-N 492.539 2.492 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1F 731408734 VGYOPANTWQUTFP-UHFFFAOYSA-N 476.574 2.162 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(-c4ccnc(C)n4)c3)CC2)cc1 743432221 JQNGQMMEJVAEDG-UHFFFAOYSA-N 474.565 2.338 10 20 JECD Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cn1C 750619472 AURZLELKXYEDPV-UHFFFAOYSA-N 458.540 2.231 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)CC2)cc1 776108150 PDZBZWHQYRETRY-UHFFFAOYSA-N 489.594 2.230 10 20 JECD COc1ccc(-n2c(C)cc(C(=O)NS(=O)(=O)c3ncccc3C(=O)N(C)C)c2C)cc1 916799011 VVKZNMDBLVNNCV-UHFFFAOYSA-N 456.524 2.318 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2F)C[C@H](C)O1 917918271 MFHVTLCJIKROBM-HOTGVXAUSA-N 485.603 2.168 10 20 JECD Cc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)s1 918120724 BVUFPIKZMCUFNY-IBGZPJMESA-N 469.611 2.426 10 20 JECD Cc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)cc1 918121804 IASWRLAGFDHIRK-JOCHJYFZSA-N 463.582 2.364 10 20 JECD CCCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 918463240 JXGQYKNVBIZRDT-IBGZPJMESA-N 466.538 2.210 10 20 JECD C[C@@H]1Oc2ccccc2N(CCC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1=O 918922191 YAFOYGRWTNPTRT-KRWDZBQOSA-N 485.512 2.026 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3ncc4ccccc4c3=O)cc2F)C[C@H](C)O1 919263143 SFXBVSDMNKCMFN-IRXDYDNUSA-N 482.512 2.009 10 20 JECD NC(=O)N[C@@H](CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccs1 919761561 JONWPJOUCFSIEL-SFHVURJKSA-N 483.573 2.420 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 920194496 DOFHKJSOQJGSCT-UHFFFAOYSA-N 456.930 2.324 10 20 JECD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)c2C)cc1 920606947 VDWJBEDEQNYDSW-UHFFFAOYSA-N 492.532 2.422 10 20 JECD COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)nc1 1778388546 FBWKCUPHSZSDPJ-BDBNTTMOSA-N 483.521 2.048 10 20 JECD CC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1781764075 ODUBNBLSWALMRU-ZEQKJWHPSA-N 466.582 2.358 10 20 JECD C[C@@H](Nc1nccs1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782001411 KDVFNSARMUHOCV-MPBGBICISA-N 466.947 2.152 10 20 JECD Cc1noc(C)c1CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004423 DABVMUKHMSBZNH-JOCHJYFZSA-N 463.918 2.432 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H]1CCOC1)C2 1783222781 MACMQRWILREVRM-COQRDDJCSA-N 474.554 2.147 10 20 JECD NC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccccc1 1786924837 RPUAZTGJYMPSNP-DKXUYOFUSA-N 473.957 2.087 10 20 JECD CC1(C)Cc2cccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)c2O1 1787291282 UVXIHLGYCMYXJU-SNRMKQJTSA-N 467.522 2.113 10 20 JECD Cc1ccc2[nH]c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)cc2c1 1787892460 FZWBJLPPEIFUHD-VHFSOBRXSA-N 450.495 2.190 10 20 JECD Cn1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc2ccccc21 1802079481 CESWJSLSGJKMQJ-RZMQENIISA-N 477.517 2.212 10 20 JECD O=C1CSC(=S)N1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C13CC(C(F)(F)F)(C1)C3)C2 1804334583 SQNBXKZRYIRINN-YPTPHNLFSA-N 461.531 2.218 10 20 JECD CC(C)(O)CC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1806776055 DYMGOFPRHFNKMT-WZONZLPQSA-N 463.538 2.041 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC2(CCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)CC1 1809621171 IPVZNNRNBCIOFQ-UHFFFAOYSA-N 462.510 2.232 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)[C@H]2CC=CCC2)[C@@H]1c1cccnc1 1814190326 WUTPKAQPJPIQNQ-XAUMDUMWSA-N 458.609 2.304 10 20 JECD O=C(CCc1cc(F)ccn1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815843530 OQVSZYVUUVOFFC-MRXNPFEDSA-N 490.586 2.429 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cc2cccnc2nc1O 1821424345 YUJHVSCPCQVTRG-INIZCTEOSA-N 475.465 2.484 10 20 JECD CC(=O)N[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc(F)cc1 1822458765 LDHOFJGCMOIZIY-MGPUTAFESA-N 499.524 2.192 10 20 JECD CCC[C@@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1823436649 KOKVWPSFNJHRAR-NQIIRXRSSA-N 493.568 2.500 10 20 JECD CN(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cn1 1823500242 XNJYNVMCAMEZII-HNNXBMFYSA-N 487.611 2.037 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)c3cnn4c3CCC4)sc2C1 1824057998 PFADJVHLGGOSKQ-FLUIGGAXSA-N 481.534 2.342 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1824527312 LTIWIDOUYCSLPK-JSGCOSHPSA-N 489.648 2.189 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)C(F)(F)c1ccco1)CC2 1828246938 JQSXBRCRDNTOMK-SECBINFHSA-N 486.547 2.300 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)C1=CCCS1 1833508505 FBNOIYVWCOITEQ-UHFFFAOYSA-N 481.622 2.372 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cccc(F)c1[N+](=O)[O-] 1836452122 XSLYVQCOZAREEV-UHFFFAOYSA-N 487.488 2.039 10 20 JECD O=C(Cc1cccc(F)c1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837713484 MOZUMJHEXJBOJN-UHFFFAOYSA-N 457.502 2.487 10 20 JECD O=C(/C=C/C1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccc(O)c(O)c1O)CCO2 1840881345 PTIBBAXJAOQJJA-MLUZAMDXSA-N 486.565 2.410 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)C(F)(F)C1 1845244232 UVFNSONWHGWMMM-HNNXBMFYSA-N 496.511 2.202 10 20 JECD O=C1CSc2ncc(C(=O)N3CCCC34CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)cc2N1 1845670231 OIIAIZXXXORLEP-UHFFFAOYSA-N 474.926 2.321 10 20 JECD O=C(c1cc(-c2cccnc2)[nH]n1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038187 DFLJWNSHLSSZJF-FNORWQNLSA-N 461.478 2.119 10 20 JECD COc1ccc(N2CCC(NC(=O)NC[C@@H](O)COc3ccc4c(c3)CCC(=O)N4)CC2)cc1 726714532 YDBXVKRQUFEQIJ-HXUWFJFHSA-N 468.554 2.288 10 20 JECD Cc1cc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c(C)n1-c1ccc(F)cc1 914761843 FOJGNFYLOXBWGO-HDICACEKSA-N 478.590 2.345 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCCN(C(=O)c4ccccc4)CC3)cc2)C1 918116768 ACTWYDBONVNGAD-QFIPXVFZSA-N 463.582 2.446 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 918304767 YXPWFWUJJGOKPM-UHFFFAOYSA-N 495.624 2.413 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 918334160 FJVDNRKTWPSULU-QGZVFWFLSA-N 461.971 2.244 10 20 JECD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2)C[C@@H](C)O1 919766545 CMQWTOBXSJBFGO-KDURUIRLSA-N 473.595 2.251 10 20 JECD Cn1ccc2cccc(C(=O)N3CC[C@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)c21 1777971744 AGPKDPWRGNKOLZ-AQBQYSGMSA-N 477.517 2.452 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cccc3c1OCCO3)CCO2 1782005581 OZEOCGWHMHDBGJ-QHCPKHFHSA-N 474.897 2.280 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1782661896 XOGZLROXXYBZGW-CMJOXMDJSA-N 459.930 2.469 10 20 JECD Cc1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)ccc(F)c1F 1782956845 KWIQXMROCXKFLO-OPAMFIHVSA-N 497.589 2.261 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCC(CO)CC1)C2 1783218277 IQNVSXYAZZOBJX-DUJHBVKNSA-N 488.581 2.129 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)Cc1c(F)ccc(F)c1F)CCO2 1785503641 MXRHOGWCXHNDEC-JGZGHEEISA-N 492.450 2.307 10 20 JECD O=C(CCCCn1cccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1788711516 LBOJQDUEIPXKJT-SSPYTLHUSA-N 491.592 2.431 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccn(C)c2=O)cc1 1793549682 QEXUWMQMXROFJH-RUMRUAAYSA-N 474.561 2.310 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(F)(F)F)c[nH]1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479725 NHMQLZVPINHXET-VTEUUUEMSA-N 489.454 2.030 10 20 JECD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc1C 1796480807 VACAWGWVKIOSCG-VSVJTWGKSA-N 474.561 2.228 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1ccc(N2CCCOC2=O)cc1 1796604288 ZJFLSAFKVHVVAQ-GGPHIMKMSA-N 466.494 2.405 10 20 JECD COc1cc(CCC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccn1 1804275209 CZDUBSALSOUBAS-HOYKHHGWSA-N 477.521 2.244 10 20 JECD COC(=O)c1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)s1 1807277695 KGISBUBWILQTFO-NYHFZMIOSA-N 496.545 2.298 10 20 JECD O=C(Cn1cccn1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1807640278 OUWSIHOIODIUQQ-YWZLYKJASA-N 455.902 2.363 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)COc2cccnc2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808465158 QYTBPDWRECAFLF-FNZWTVRRSA-N 498.543 2.354 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)N1C[C@H]2C[C@H]2C1 1810166785 WSPAHEQGZDLOBI-YYPWNSNXSA-N 492.576 2.258 10 20 JECD Cc1cnn(CC(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)c1 1810202186 XWPHIQCZVOYUNB-GQCTYLIASA-N 454.527 2.253 10 20 JECD CCc1cnc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1814188854 BWPKVVKGTWTPHG-KSSFIOAISA-N 489.648 2.280 10 20 JECD COc1ccc([C@H](O)C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cc1 1814635728 JXMYPGFSIAJXNL-UTKZUKDTSA-N 467.482 2.264 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cn3cc(F)ccc3n1)CC2)c1cc(O)nc(O)c1 1816725188 GLCTVZVTQGLDIE-GFCCVEGCSA-N 468.470 2.276 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c3cnccc13)CC2)c1cc(O)nc(O)c1 1816725383 IANHWSFQHNCBFD-LLVKDONJSA-N 450.480 2.365 10 20 JECD NC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccccc1 1817401601 UWGCLPXAEQTUPI-FUHWJXTLSA-N 450.499 2.264 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCc3nc[nH]c3C2)[nH]n1)c1cc(O)nc(O)c1 1817848395 HEDUILFRHBTLSA-SJKOYZFVSA-N 451.487 2.050 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CNC(=N)N)CC3)cc1 1823438146 DOKPBBDTYMOYQJ-INIZCTEOSA-N 465.583 2.260 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc[nH]2)[nH]n1 1823498404 QJIJHPHLONOIMU-HNNXBMFYSA-N 460.585 2.223 10 20 JECD Cn1c(=O)n(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)c2ccccc21 1827427931 VHAMMOWMRIIRIL-LJQANCHMSA-N 493.564 2.080 10 20 JECD O=C(c1ccnnc1O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716152 CFBKZJQGVXWBKW-OAQYLSRUSA-N 476.537 2.208 10 20 JECD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)cc2)CC1 747017925 SZFDLCZDHYHIPW-UHFFFAOYSA-N 463.582 2.102 10 20 JECD COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCc5sccc54)C3=O)CC2)cc1 776404597 QEENIQPWLPPACI-HSZRJFAPSA-N 454.552 2.189 10 20 JECD CC(C)CC(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 825184139 YAYOCICMXRDRJH-CXUHLZMHSA-N 450.538 2.322 10 20 JECD CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 917916535 OBOSTJDTFZMYCA-UHFFFAOYSA-N 467.613 2.032 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 918442823 PXQBVUQPHLJFOB-HSZRJFAPSA-N 480.565 2.268 10 20 JECD Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 918443083 RWCVXPCBQJZECN-UHFFFAOYSA-N 452.555 2.160 10 20 JECD Cc1ccc(N2CCC(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)nc1 920615352 WOVODZVMBYBYEM-UHFFFAOYSA-N 470.545 2.442 10 20 JECD Cc1nc(-c2cccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2)no1 920787574 ZCQJHCXUKLCLKY-GOSISDBHSA-N 462.510 2.002 10 20 JECD COc1ccc2cc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)c4cc(O)nc(O)c4)C3)[nH]c2c1 1777848249 NYSJOBYLWHZVFW-CJFMBICVSA-N 480.521 2.424 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)n[nH]1 1778127403 LMWNIWUEDPYUER-ATIYNZHBSA-N 492.580 2.454 10 20 JECD O=C1CCc2ccc(C(=O)N3CC[C@]4(CN(C(=O)C5=NN(c6ccccc6)C(=O)C5)CCO4)C3)cc21 1782309641 RDHFSZUEUIZQRR-HHHXNRCGSA-N 486.528 2.052 10 20 JECD Cc1cccnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783218581 UUFWOKINZGBBRR-WZKXNVEMSA-N 467.522 2.348 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccn3cncc3c1)C2 1783222449 VHTGWOMNYOCDEJ-MUIWDSRZSA-N 492.532 2.292 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(OCC4CC4)c(F)c3)C2)C1 1785256680 CPAVIDOREMYYHL-DEOSSOPVSA-N 471.485 2.178 10 20 JECD Cc1cscc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787539483 JPDPQBXYDVKQSO-MDKPJZGXSA-N 466.563 2.443 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3ccc4ncnn4c3)CCC2)cc1 1792315216 QGYFRBIJQAWNFN-UHFFFAOYSA-N 480.575 2.337 10 20 JECD C[C@H](C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1)n1cccn1 1792316224 WPEZIFHMEKRKRG-CQSZACIVSA-N 457.581 2.439 10 20 JECD CCOc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1799014242 RYXJTNMMZAEHMX-NHKMSHSESA-N 476.533 2.081 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@H](O)c1ccccc1Cl 1801199475 HCXAAWPZESOEIG-JSVGYJQLSA-N 481.332 2.341 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1802001398 OPHCKFQGILSHDZ-YYIAUSFCSA-N 460.531 2.144 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1Cl)C2 1802080283 MFAOKSUFCYQEEE-SYSDTLGTSA-N 458.898 2.373 10 20 JECD CCn1ccc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1805906890 APIYBSDJUGMECA-LFXIQIKPSA-N 477.521 2.448 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994380 VXMYAYABHZVRMA-NPMXOYFQSA-N 495.467 2.497 10 20 JECD CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808467244 DNBYCCJNMRJMEG-BYYBNQSPSA-N 476.581 2.254 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccnc2ncccc12 1812159394 VEUWTIAPOVBLHS-ZHRRBRCNSA-N 470.489 2.464 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1814162684 VNGCVZFWCDKVEC-ODLMUFPBSA-N 467.522 2.487 10 20 JECD Cc1cnc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1814185280 ARTSMKFJROAIRR-YOEHRIQHSA-N 475.621 2.026 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CNc4ccccc43)sc2C1 1815037756 PADZSWFHTSIMMO-DGCLKSJQSA-N 487.632 2.125 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1824531952 QLQKNPSGUZYRJP-JOCHJYFZSA-N 481.597 2.314 10 20 JECD O=C(c1cc2ncccn2n1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427737 RMCSKACJAQIXOG-GOSISDBHSA-N 450.499 2.083 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1cncnc1)CC2 1828198777 IXLAWVHBJRSMHH-GZTQLTBSSA-N 481.534 2.308 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCC1(F)F)CCO2 1831723757 QDBPJIZIUVNHLU-HZXAIQCSSA-N 496.507 2.099 10 20 JECD Cc1ccnc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1 1832902808 XMWMQMCVJYCVAP-GOSISDBHSA-N 460.625 2.484 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@H]3C[C@]3(F)Cl)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835133968 QFQCHYGXTVAUQG-NTKDMRAZSA-N 489.979 2.275 10 20 JECD CN1CCC[C@@H](C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)C1 1845053738 IWVIBKDMUKZBCU-IFMALSPDSA-N 499.656 2.250 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)COc2ccccc2F)C1 1846074364 MJTASVDGRWBSNJ-UHFFFAOYSA-N 450.470 2.201 10 20 JECD O=C(c1ccccc1N1CCCCC1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054811 QXCPCKBALHVYLY-UHFFFAOYSA-N 472.636 2.354 10 20 JECD COc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2=NN(c3ccccc3)C(=O)C2)n1 1848172966 OQSJMRMZCGAQDJ-SFTDATJTSA-N 461.522 2.018 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N[C@H]3CCN([C@H](C)c4ccccc4)C3)nnc2n1 250128140 CEHSCIJSUUWTHS-WBVHZDCISA-N 469.619 2.427 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)cc2F)C[C@H](C)O1 727038161 WAWLJRYJXSILHS-HOTGVXAUSA-N 452.490 2.275 10 20 JECD CN(C)CCCNS(=O)(=O)c1ccc(N(C)Cc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 743341798 ZINZRHSSWJSJEZ-UHFFFAOYSA-N 491.614 2.298 10 20 JECD CN(C)c1ccc(CNC(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1F 746975378 HKKVTUVYRWZRFM-UHFFFAOYSA-N 477.562 2.099 10 20 JECD CS(=O)(=O)N1CCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 914847921 OIHVWLYBYMHYPE-FYWRMAATSA-N 473.667 2.223 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)COc3cccc(N4CCCC4=O)c3)cc2)C1 917833433 SIPFYCLRICVDAY-LJQANCHMSA-N 450.539 2.210 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)cc2)C1 917835069 YLTZWTCBWTWQMH-UGKGYDQZSA-N 450.539 2.436 10 20 JECD Cc1cc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2)no1 918373025 RKJXTWPURYRRSP-LJQANCHMSA-N 497.577 2.416 10 20 JECD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919970412 AISJXWBYQZGWKY-AWEZNQCLSA-N 469.966 2.423 10 20 JECD Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)c1 1780934178 IQJXLNUVZAGKGD-VGOFRKELSA-N 479.599 2.122 10 20 JECD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc(C)c1C(=O)O 1782174538 XMLITBOLYRHBMY-CKUSHTOWSA-N 496.516 2.275 10 20 JECD Cc1cnn([C@@H](C)C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1 1783223094 VFROKZMXCHGGGJ-UVUBVZBNSA-N 484.553 2.097 10 20 JECD Cc1cc(C)n2ncc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C[C@@H]43)c2n1 1787909981 LBLWAXYSFRJFHX-VHFSOBRXSA-N 499.955 2.318 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(O)[nH]1)C2 1796749455 XFFGAVCMTRIELL-FCGDIQPGSA-N 498.584 2.085 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCCCC2=O)C3)cc1 1799622308 FKQCDIPGJWFQKV-MOOYMSSBSA-N 478.593 2.310 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccc(-c2cnco2)c1 1799648374 XEFPQZSHTSQLAS-SLWNEACCSA-N 491.500 2.375 10 20 JECD Cc1ccccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802079389 FOOKKGZCZBPNKE-XHQGLMHISA-N 466.534 2.347 10 20 JECD O=C(CSc1ncccn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804285712 PLBRGYSEWMQSIB-NCSLWMNCSA-N 456.524 2.037 10 20 JECD CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c1 1804340527 UHAUUKLVDVCBHY-QDMKHBRRSA-N 495.026 2.411 10 20 JECD CC(C)n1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)n1 1814189391 GOQXSKYLWITYPU-OXJNMPFZSA-N 486.623 2.039 10 20 JECD Cc1ocnc1C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362032 PFTWSXDWPQHHLV-ZDUSSCGKSA-N 464.507 2.458 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCc3nc[nH]c3C2)[nH]n1)c1cc(O)nc(O)c1 1817848394 HEDUILFRHBTLSA-SJCJKPOMSA-N 451.487 2.050 10 20 JECD O=C(/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1)NC1CC1 1823711007 QVALVCKJZVIRDY-FOQNGQEVSA-N 476.942 2.268 10 20 JECD Cc1noc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)n1 1827147162 IAATTXARQMWWFW-IWHGQQBYSA-N 470.526 2.370 10 20 JECD COCCn1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)n1 1828199472 UZQRQYZXLJIKIK-UFZAZABTSA-N 499.549 2.042 10 20 JECD CCOc1ncccc1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828243325 QBJYTTJWFJVINR-LLVKDONJSA-N 491.620 2.023 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)Cc2ccccc2)CC1 1831544384 VPDQBXZOQWXZFQ-RTWAWAEBSA-N 453.539 2.330 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)Cc2c(F)cccc2Cl)C1 1841207912 PURNYRKONPJONY-UHFFFAOYSA-N 455.964 2.085 10 20 JECD CN1CCCC[C@@H]1C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843330774 NCDWORPOSCEFDZ-FGZHOGPDSA-N 499.656 2.392 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1846193303 SDAWQSBZWJVGHO-SEAIUIDQSA-N 499.564 2.420 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CC[C@@H]3NC(=O)N(c4cccc(C)c4)C3=O)CC2)cc1 730868653 MPIVLJBHCOYASA-QFIPXVFZSA-N 494.548 2.101 10 20 JECD O=C(CSc1ncccn1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 747906315 NQDJNIUGHZZZIG-DHDCSXOGSA-N 460.562 2.315 10 20 JECD O=C(NCc1ccccc1O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 748438324 IJYZFSHNKZTZBH-UHFFFAOYSA-N 460.556 2.335 10 20 JECD CC(C)N(CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)Cc1ccc(N(C)C)cc1 917074613 CPMRQKMHFBIAIV-FGZHOGPDSA-N 451.633 2.158 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)CC2)cc1 917282276 KLGMXELGAHZSJD-UHFFFAOYSA-N 482.512 2.205 10 20 JECD O=C(NCCCN1CCCC1)C1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 918223888 LSJJECNPYOVWPY-UHFFFAOYSA-N 475.609 2.186 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCN(Cc2ccncc2)CC1 919783841 WIYAZMWSOLZGHZ-UHFFFAOYSA-N 490.587 2.365 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 1782004896 PJHVNAKPRWPWDZ-OAQYLSRUSA-N 464.881 2.248 10 20 JECD CC(C)O[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783222342 OFZMIYMVJHMIPV-YCEDMPBVSA-N 462.543 2.144 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(F)cc3)C2)C1 1783599901 RMJPJKRLGNXJGG-VIDGFWFCSA-N 470.497 2.418 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)CCc1ccc3c(c1)OCO3)CCO2 1785508333 FKMXBMXCOUTOKL-SVNLLAJMSA-N 496.516 2.008 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)cn1 1787537212 FALHZXCTBSAASF-SSPYTLHUSA-N 489.576 2.095 10 20 JECD COc1ccc2c(CC(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(O)nc(O)c3)C4)c[nH]c2c1 1793171745 GPEBIZXPQDTUNE-BJWYYQGGSA-N 450.495 2.477 10 20 JECD NC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccccc1 1796126303 IKEQHZFFRXJMHM-QZJNIUIJSA-N 451.523 2.197 10 20 JECD Cc1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c(C(F)(F)F)o1 1796856285 DQWQAADZXKKWTG-JGPRNRPPSA-N 476.502 2.114 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cc2cccnn2c1 1796934816 KEPYKWKGNHAZBF-ZHPFXUNLSA-N 456.506 2.379 10 20 JECD O=C(COc1cc(Cl)ccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1797906627 BWJQYAGUPXXDSM-DBWKPXFBSA-N 482.320 2.082 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)C1(O)CCC1 1802465647 RWOOWICWQAMHFF-FPGHNAPASA-N 489.576 2.431 10 20 JECD COc1cncc(CCC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1804485589 UIOROROYJOCPRB-HOYKHHGWSA-N 477.521 2.244 10 20 JECD CC(C)(C)NCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1807101818 VHVPWNGGWSBQPE-BSIOYPLDSA-N 468.554 2.306 10 20 JECD CC(C)Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n(C)n1 1807850530 HGVKFEGKZVCXMB-GAJHUEQPSA-N 478.553 2.453 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992620 PHSFDHBEQANIHQ-SBUREZEXSA-N 477.477 2.358 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2csnn2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808463335 CJNULZWNQAIMEV-IERDGZPVSA-N 475.534 2.046 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2nonc2c1 1809125355 FVHKHNVYMRZSMV-BTYIYWSLSA-N 460.450 2.057 10 20 JECD Cc1cc(C)n2ncc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c2n1 1809191850 YJBYRSZQFXPGEV-JTSKRJEESA-N 487.520 2.181 10 20 JECD Cc1cccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1 1813920664 FDEPREBEAOCEAD-CQSZACIVSA-N 474.633 2.467 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CC2(O)CCC2)[C@H]1c1cccnc1 1814165654 JTAPFTSGAYHXKF-OPWPMMOYSA-N 467.522 2.223 10 20 JECD C[C@]1(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)CCCN1 1814166636 RQQONKYCPJDYQI-LUAULKAUSA-N 466.538 2.060 10 20 JECD C[C@H](Cc1ccco1)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814191599 LYZAYHDLEVXXNU-QLVMHMETSA-N 486.619 2.420 10 20 JECD CC(C)[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1814945115 XJLLZMCVWKUHEZ-NQIIRXRSSA-N 452.515 2.212 10 20 JECD O=C(CCc1cncnc1)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362662 STCIZRYXJBPSJZ-MRXNPFEDSA-N 489.561 2.271 10 20 JECD Cc1noc(N)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146575 QSURNZZKMFBOTD-KRWDZBQOSA-N 476.497 2.387 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccc4nc[nH]c4c3)sc2C1 1819074780 VNNJPLVCUKIAPG-LLVKDONJSA-N 486.604 2.106 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc4cccnc4[nH]3)sc2C1)c1cc(O)nc(O)c1 1819165961 PPZPAUWVUANZAQ-GFCCVEGCSA-N 450.480 2.365 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)n[nH]2)CC1 1827000361 UOBABPBOXDANNK-FQEVSTJZSA-N 464.526 2.142 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]nc3ccncc23)CC1 1827488744 SVQKSMNRSHZBDL-KRWDZBQOSA-N 486.623 2.052 10 20 JECD Cn1ccnc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715298 KVXYLQPEGXLUCD-OAQYLSRUSA-N 462.554 2.446 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(Cl)c1)CCO2 1838920621 YQWFQTUQMMQFSM-COIATFDQSA-N 488.924 2.240 10 20 JECD CSCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839432481 PVCFTTGVYVAMMV-OAQYLSRUSA-N 472.991 2.210 10 20 JECD O=C(c1ccc(F)c(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433619 MGFXGQZTBDAUMY-QFIPXVFZSA-N 482.867 2.413 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840335065 GDOSJEZBERGSNF-VOIUYBSRSA-N 489.956 2.095 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCC3(F)F)C2)C1 1840880117 XCYDGNHQNODLDT-UPTLPTDJSA-N 496.507 2.099 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cc1 1843442891 BJGIQDAFVSADRH-UHFFFAOYSA-N 459.506 2.255 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2c[nH]c3c(Cl)cccc23)C1 1845683397 LJENKCQFWFOKRN-UHFFFAOYSA-N 462.984 2.499 10 20 JECD CC(C)N1CC[C@@H](CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 743310907 WDDXQYLCPCIIOW-FQEVSTJZSA-N 455.582 2.472 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(Cc4cscn4)CC3)cc2F)C[C@@H](C)O1 744201259 WAHSZRRBBNYZHR-HDICACEKSA-N 461.607 2.330 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NCC(=O)NC1CC1 914442341 BVZQXNWOYPWZAY-QPEQYQDCSA-N 454.371 2.045 10 20 JECD O=C(COC(=O)CC[C@@H]1CCCO1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 914972743 VTYLMYFHKSSNAK-GZQZNAIASA-N 492.575 2.235 10 20 JECD Cc1cc(CCNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c(C)n1-c1ccccc1 916220959 IWEDGPUTRJNJSP-UHFFFAOYSA-N 451.571 2.113 10 20 JECD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccccc1S(=O)(=O)N1CCCCC1 920014713 CSFBXOVKHLYKFT-UHFFFAOYSA-N 477.608 2.348 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(Cl)c(F)c1)C2)c1cc(O)nc(O)c1 1777849271 QRVICSVZVPWBOD-WZONZLPQSA-N 493.919 2.492 10 20 JECD O=C1CCCc2cc(C(=O)N3CC[C@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)ccc21 1777927700 NWYYTDKYYCRFGV-DIPPXIFJSA-N 492.528 2.479 10 20 JECD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)N1C[C@H]2C[C@@H]2C1 1781122144 PSJHRQXEPZFBPB-SVZQKWIASA-N 477.989 2.219 10 20 JECD Cc1cccc2c(C(=O)N3CCO[C@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)n[nH]c12 1785510007 KZSURGQMSBHRPW-VQEXNLMWSA-N 478.505 2.145 10 20 JECD CC(C)(C)n1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)cn1 1785617738 BYHDSVQYPSRIRR-XJABCFGWSA-N 492.580 2.024 10 20 JECD C[C@H](C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1)n1ccccc1=O 1789637492 NQEOMMVXZYMHPZ-OAHLLOKOSA-N 484.603 2.404 10 20 JECD COc1c(C)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1C 1800611581 NQGNKJVFFMJELQ-BJWYYQGGSA-N 461.609 2.424 10 20 JECD COCCCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1802983376 WLQIGQDIDQQZPG-SXVOPIBFSA-N 455.511 2.344 10 20 JECD O=C(Cc1ncccn1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1804695564 WZEFCPXNSIWLGG-YCRPNKLZSA-N 467.913 2.499 10 20 JECD O=Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)s1 1807380982 BGHCGRZJPFSKBO-VLIAUNLRSA-N 452.492 2.395 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1c[nH]c2nccc-2c1 1808077599 JIDPDJSUICYXKX-KKSFZXQISA-N 458.478 2.349 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCc2cnccn2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468956 HHIYJTLYKYKJOO-FNZWTVRRSA-N 497.559 2.303 10 20 JECD CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1808774035 PVCVBQRGISGJHN-LIVBEALHSA-N 472.929 2.087 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccc2c1OCCO2 1809233832 CPYXFVBPYHLOHD-ZHRRBRCNSA-N 476.489 2.292 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)nc1 1814184727 DSTGKSJPYVJFTL-MBSDFSHPSA-N 497.646 2.284 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3c1OCCO3)CC2)c1cc(O)nc(O)c1 1816725165 LNTBREIQIHAXCR-GFCCVEGCSA-N 468.491 2.260 10 20 JECD CCC1(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)COC1 1817362553 ZDEWFFHRTPDKBF-CQSZACIVSA-N 467.551 2.275 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)[nH]n1)c1cc(O)nc(O)c1 1817842505 CUOVMRMWUJAJGZ-MAUKXSAKSA-N 482.541 2.313 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cc(-n2ccnc2)ccn1 1820341175 AJQQQBOKCITOOP-GOSISDBHSA-N 474.481 2.416 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cccn3nccc23)[nH]n1 1823499510 KHLYSKZJSDNVSO-MRXNPFEDSA-N 483.579 2.224 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)CCc3cnccn3)sc2C1 1826913263 KEHYZFMRUSGKDA-VXTUICGHSA-N 481.534 2.308 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3ncoc3c1)CC2 1828244313 ANWCLKXGWRIWRY-NSHDSACASA-N 487.588 2.370 10 20 JECD Cc1cccnc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896907 TUZXAQOJIJPIMA-QGZVFWFLSA-N 460.625 2.484 10 20 JECD O=C(c1ccc2nn[nH]c2c1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900724 XQCDADJFUITYBE-SFHVURJKSA-N 486.623 2.052 10 20 JECD CC(=O)CCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1834438782 BCUMRNUJXNDHPR-UHFFFAOYSA-N 451.951 2.306 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1ccncn1 1835146562 PSHPSINGZLZZSS-UHFFFAOYSA-N 459.934 2.040 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)C2)C1 1836418191 GANSMCVRBBRYLL-DMEDLEQBSA-N 473.570 2.169 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)n4cncn4)C3)C2)cc1 1839349292 NFJZVRJLFWTBBE-QFQXNSOFSA-N 492.580 2.017 10 20 JECD O=C(COc1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431616 CKWSYTOGMSXNAB-QHCPKHFHSA-N 494.903 2.039 10 20 JECD C[C@H](Cc1ccco1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433325 RJFOEOOFEBPRCC-IQMFZBJNSA-N 478.929 2.293 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc31)CCO2 1840260995 JBEVVZPNRHMXFL-JJOQLZEOSA-N 494.544 2.003 10 20 JECD C[C@@H](OC(=O)Cn1nnc2ccccc2c1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 16275477 REXASEVZJUSSLJ-CQSZACIVSA-N 482.452 2.137 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)cc1F 749035176 VHWLOSTUHRGBMK-UHFFFAOYSA-N 458.559 2.265 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CC(=O)N4)n2)o1 812559048 PFZISHUKCUFTSD-UHFFFAOYSA-N 475.508 2.121 10 20 JECD CN(C)c1cc(F)c(CNc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1F 863993233 NHEGYBPPIBFTQN-HNNXBMFYSA-N 459.540 2.108 10 20 JECD CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1=O 917713518 RUHQEHZZJAUMAP-CALCHBBNSA-N 468.529 2.252 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCCNS(=O)(=O)c3ccccc3)cc2F)C[C@@H](C)O1 918203166 WDQNKEWLCUIZPK-IAGOWNOFSA-N 464.563 2.217 10 20 JECD Cc1nc(COc2ccc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)no1 918928095 ZZGGSHSCODFJSN-UHFFFAOYSA-N 484.484 2.406 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)nc12 918973357 PQPQWAVXJHAEGT-UHFFFAOYSA-N 466.372 2.104 10 20 JECD Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCOCC1 920879112 GIKYVDVXLDSKBT-LJQANCHMSA-N 473.595 2.344 10 20 JECD CCN1C(=O)C(=CNc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)C(=O)N(CC)C1=S 920980744 ZJQIOMBNTKHSDD-UHFFFAOYSA-N 464.613 2.461 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N[C@H]3CCCN(C(=O)c4ccccc4)C3)CC2)cc1 1325579784 MLOQKXGOBGNEGD-QFIPXVFZSA-N 465.598 2.421 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1778563810 RFXNIRSGAHGSBU-QFIPXVFZSA-N 460.918 2.041 10 20 JECD CCn1nc(C(C)C)cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1780223341 GNGYAHKQZSSFCA-NTKDMRAZSA-N 471.558 2.274 10 20 JECD Cn1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)c2c1CCC2 1781122704 CMTHQHRKFHBPGI-NTKDMRAZSA-N 488.972 2.415 10 20 JECD Cc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1[N+](=O)[O-] 1781308640 PSMCDQPYVBCJHW-PIITYICYSA-N 497.504 2.106 10 20 JECD Cc1cccc2c(C(=O)N3CC[C@@]4(CN(C(=O)C5=NN(c6ccccc6)C(=O)C5)CCO4)C3)n[nH]c12 1782476624 KPQPMYWZIHAFIU-SANMLTNESA-N 486.532 2.108 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(Br)CC1)C2 1783221655 KBWONCRZKATBKO-XRJMWENVSA-N 495.370 2.258 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)C[C@H]1C[C@@H]3CC[C@H]1C3)CCO2 1785510586 RGGWQLDTBZOBAA-IYIUGGLFSA-N 456.539 2.473 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@]1(F)CCCC=C1F)CCO2 1785511841 VTBHNXJWSBPXEU-FCKLCRNOSA-N 464.465 2.392 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c3cc(Cl)ccc13)CCO2 1785539525 DBUOIBNHTIMTEP-OAQYLSRUSA-N 493.010 2.125 10 20 JECD Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)n1 1793909623 CPZMVNATSWJSGE-VPTLXERWSA-N 459.930 2.291 10 20 JECD CN(C)c1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1794592985 JFGCHFFKNKKWEA-FNLKRUPLSA-N 460.538 2.192 10 20 JECD CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796600602 SAXXLFOTODSEAG-YVSFHVDLSA-N 494.614 2.391 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796603520 QNJBNESSXDWRLN-KSWRQPAISA-N 478.521 2.092 10 20 JECD CC(C)[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796749368 FBOGZNPWJIKSPR-PVIWCNJMSA-N 488.629 2.360 10 20 JECD Cc1cc(NC(=O)CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)no1 1796869223 APLKDAVVTMNTEW-BTTYYORXSA-N 462.890 2.328 10 20 JECD N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1)c1cccc(Cl)c1 1799770733 BDPGVUMWEOCVEZ-GTYSZEQSSA-N 480.348 2.308 10 20 JECD COc1cccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c1C 1804335901 DTGKRIIDAPGHQG-BJWYYQGGSA-N 461.609 2.045 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccnc2S)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991416 HELPNDAJBZVEJM-KUHUBIRLSA-N 451.508 2.205 10 20 JECD CCOCCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814167055 XGHOICZNDXCKAR-LFXIQIKPSA-N 455.511 2.344 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](O)CC2)[C@H]1c1cccnc1 1814167237 ZBIQBEUMHSKWDO-ZECZEHCASA-N 481.549 2.469 10 20 JECD CC(C)n1nc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cc1C(=O)O 1816201020 JKZBATZWOWDHMB-HNNXBMFYSA-N 483.485 2.311 10 20 JECD N[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)c1cccnc1 1817844743 JFGSCUVDYADRJG-RDJZCZTQSA-N 451.487 2.007 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3nc4ccccc4[nH]3)sc2C1)c1cc(O)nc(O)c1 1818052961 RMEUTSUSFRFSJN-NSHDSACASA-N 450.480 2.365 10 20 JECD Cc1nc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)no1 1823476640 KSZFUPNWNKNAJH-PMGBHYCQSA-N 468.470 2.166 10 20 JECD CCn1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)n1 1828195484 OHDGTBHBKUJPHM-GBVBUYCNSA-N 469.523 2.416 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)c2ccco2)CCO3)cc1 1829828942 YFTZYLXTAYPBIO-SQHAQQRYSA-N 493.560 2.491 10 20 JECD CN(C)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896357 DZTIHZDLFAJAJV-SFHVURJKSA-N 489.667 2.241 10 20 JECD O=C([C@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900211 LXANMWUQCCKORR-IAGOWNOFSA-N 453.630 2.036 10 20 JECD C[C@@H](Cc1ccco1)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988490 YLDUXYIKVZQJFM-INIZCTEOSA-N 456.543 2.150 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1ccc(O)nc1 1836143672 DWJLHWRJBHXEAZ-UHFFFAOYSA-N 474.945 2.351 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnoc4)C3)C2)cc1 1839348616 ZHXYOWUSWKOLPU-VWLOTQADSA-N 464.522 2.466 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)CCn2c(=O)oc3ccccc32)C1 1841988740 HWOLMTBSQGBGGV-VQHVLOKHSA-N 479.489 2.018 10 20 JECD CN(C)[C@@H](C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1)c1ccccc1Cl 1847055051 AFIIBEUBYOWJSN-GOSISDBHSA-N 481.043 2.006 10 20 JECD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1847549803 HOLXXRIEQAQVJM-UDKICSLYSA-N 480.565 2.351 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 10907135 FRIHQVSJJBRPDA-UHFFFAOYSA-N 487.622 2.135 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(NCCO)cc3)cc2F)C[C@H](C)O1 728325948 HDCIHDASQKRCHZ-IRXDYDNUSA-N 459.518 2.317 10 20 JECD O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 917760700 INNIACZDVJRRLR-UHFFFAOYSA-N 451.570 2.109 10 20 JECD CSc1nc2nc(C)c(CC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c(C)n2n1 917833413 RTYDMFQTTCJFBR-QGZVFWFLSA-N 467.599 2.024 10 20 JECD COc1ccc(N2CCCN(C(=O)CCNS(=O)(=O)c3cccc(C(C)=O)c3)CC2)cc1 918369809 UPMIWQQMZORURG-UHFFFAOYSA-N 459.568 2.305 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 919970310 UTJAZKGNQTXYCK-UHFFFAOYSA-N 469.563 2.132 10 20 JECD COCCN1C(=O)/C(=C\Nc2ccccc2C(=O)Nc2cccc(OC)c2)C(=O)NC1=S 920978725 HPEBEZOJUQZVMC-LGMDPLHJSA-N 454.508 2.133 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(c4ccc(Cl)cn4)CC3)cc2)C1 921243205 PFDAWXZJTYIMRZ-SFHVURJKSA-N 456.978 2.469 10 20 JECD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 1115827672 XXIXENSCYNCSPO-IBGZPJMESA-N 494.013 2.236 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1779658254 WYTHJBCWKSVYPX-IBGZPJMESA-N 488.850 2.261 10 20 JECD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)ccn1 1779694706 ADTDKHORJUIVPH-PLOYQGSLSA-N 467.522 2.348 10 20 JECD Cc1nccn1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781123139 XWUTZVBKXZHVLN-XMSQKQJNSA-N 462.934 2.084 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004236 UOKWQMZRZOZTSS-QMHKHESXSA-N 495.960 2.204 10 20 JECD COc1ccc([C@@H](O)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)cc1 1783768969 KMFIVVLVGBPPPG-QMHYAUOFSA-N 490.940 2.087 10 20 JECD COc1ccc(F)cc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1785027974 ZWQJWYIXXBFHSS-MLENBVEFSA-N 472.469 2.108 10 20 JECD CC(C)(C)C(=O)Nc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc1 1785292207 TWWBIGQCLBDHNY-VWLOTQADSA-N 482.537 2.235 10 20 JECD C[C@H]1CCC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787539786 UXXGWTKGBCJTKB-DFPMAUPISA-N 452.555 2.195 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccnnc4O)[C@H]3C2)cc1 1789115944 GXYYKUIDUDXZEK-VJBMBRPKSA-N 475.549 2.497 10 20 JECD Cn1nccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1795151268 PIARVOJHFQMHJQ-PLACYPQZSA-N 496.612 2.390 10 20 JECD COc1cccc(-c2ncccc2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)c1 1796138328 VURNSGZRLCLHLN-FEJSZKPUSA-N 490.516 2.080 10 20 JECD Cc1oc2cc(O)ccc2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802079501 DUYMRWRXJXDWGV-PAYHOHGSSA-N 494.500 2.480 10 20 JECD CNc1nsnc1C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1804845920 QCJXCTRWSDXBGO-UHFFFAOYSA-N 481.582 2.218 10 20 JECD O=C1C[C@H](C(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)CN1Cc1cccs1 1806891138 YIMOUYSLWYTBSS-SFHVURJKSA-N 498.605 2.448 10 20 JECD CCc1[nH]nc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1Cl 1807704786 INALFFCFYLTFEQ-RBZFPXEDSA-N 470.917 2.460 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470753 YAEOOYLOTVXWQL-BXQGMWBWSA-N 483.532 2.317 10 20 JECD Cc1nccnc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1811085733 KMVQGSDXHMKCOF-DVECYGJZSA-N 483.532 2.293 10 20 JECD O=C(CN1CCCC1)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1814487006 RFHROKDFBBPNRS-UGAXZCSASA-N 455.515 2.328 10 20 JECD Cc1ccn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)n1 1815954299 TVSVXEUHBKLQPN-HXUWFJFHSA-N 474.525 2.400 10 20 JECD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1822444853 LLRWRRNYWSBBKI-XHDPSFHLSA-N 499.524 2.133 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2)c1ccc(O)cc1 1822922097 XYWNXQLKARZWRN-YPMHNXCESA-N 490.632 2.425 10 20 JECD COC(=O)CSCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823707849 CXWBHRVUECWDOD-JTQLQIEISA-N 485.971 2.340 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)CCCc1cccnc1)CC2 1828250371 REMVQFCURQEOPQ-AWEZNQCLSA-N 489.648 2.333 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c[nH]2)CC1 1831712023 PWORMYJHIGFMDF-MRXNPFEDSA-N 452.577 2.247 10 20 JECD Cc1onc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1C 1832896439 HZCNZYNTIKXDPW-MRXNPFEDSA-N 464.613 2.385 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898581 QEJATVIHJUKXOC-QFBILLFUSA-N 489.667 2.362 10 20 JECD Cc1cc(F)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1839285916 WSKXQGSVMZGZJY-YQVIQHHGSA-N 486.496 2.034 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cncnc4)C3)C2)cc1 1839348869 QSSRXIYMBHQMNB-SANMLTNESA-N 475.549 2.268 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433561 XHQPIYBDFOKQEU-VOIUYBSRSA-N 489.956 2.095 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1cn[nH]c1 1848192672 VKSQKLFTODVXEN-FSSWDIPSSA-N 496.612 2.262 10 20 JECD O=C(COC(=O)c1ccc(N2CCOCC2)nc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 10650817 GLSCFUMVXGMFPK-UHFFFAOYSA-N 471.469 2.489 10 20 JECD O=C(NCCCn1nc2n(c1=O)CCCC2)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726613880 SHJBNOSULDXBIW-UHFFFAOYSA-N 464.517 2.341 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2cccc(NC(=O)NCc3ccncc3)c2)c1 726984428 SHZRYSGIDBUVIV-UHFFFAOYSA-N 469.523 2.410 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H]2CCCOC2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 727911912 WQRKOHDIMCJVTK-LJQANCHMSA-N 490.578 2.268 10 20 JECD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)n2)cc1 817934426 IEHHMSCDKAEVTR-UHFFFAOYSA-N 452.539 2.217 10 20 JECD COc1c([N+](=O)[O-])cc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1Br 835074111 HNESVGYPRREYHI-LBPRGKRZSA-N 459.253 2.102 10 20 JECD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 918456870 WETMGLOGCORTCZ-KRWDZBQOSA-N 488.610 2.196 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cc4c(c(C(=O)O)c3)OCCO4)cc2F)C[C@@H](C)O1 919729612 XGTVBWOYOBDAMQ-OKILXGFUSA-N 480.514 2.387 10 20 JECD CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c1 919730276 WQKDYDHOSDBWKF-UHFFFAOYSA-N 489.413 2.168 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3ccc(-n4nc(C)cc4C)nc3)CC2)cc1 920256216 SKSDLGUTSVWUAJ-KHPPLWFESA-N 474.565 2.414 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c2cc(O)ccc2n1 1777848478 WOGPVXZPQZDTSP-QFQXNSOFSA-N 492.532 2.496 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cccc(C(F)(F)F)n1)C2)c1cc(O)nc(O)c1 1777848975 HAJBMAWOJBGQDP-VGOFRKELSA-N 494.470 2.277 10 20 JECD CC(=O)O[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)C(C)C 1781121970 GNQWVPDMGNZECY-KKLQWCBXSA-N 482.961 2.466 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)Cc1ccccc1)C2)c1cc(O)c(O)c(Cl)c1 1781123120 VOJAIOUWRGTCTP-DNRQZRRGSA-N 488.968 2.482 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1782004474 WHTBNPSTQULFBO-WMZHIEFXSA-N 474.897 2.035 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1782005479 IZGVNLYYTLOOCN-QFIPXVFZSA-N 460.918 2.041 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)C2)C1 1783251663 KELIZRJYJTXBNU-FDFAMCIDSA-N 456.539 2.473 10 20 JECD Cc1ccncc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787537246 IIEBSLDDZXUFKC-SSPYTLHUSA-N 489.576 2.095 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)Cc3ccc4ncnn4c3)CCC2)cc1 1792314945 LWPOBIKRAMGAII-UHFFFAOYSA-N 494.602 2.266 10 20 JECD CCN1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1796935614 WWIPXLGORXMPMG-NUZGMZIFSA-N 451.571 2.149 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)C2 1802082466 MVZBCAHSZSWTDN-BMOBTPJOSA-N 464.518 2.210 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)[C@@H](O)c1ccco1 1802530945 WLLWSGJUSYPDQM-HDTQHYAYSA-N 479.489 2.244 10 20 JECD COC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1803689907 WSNUAWZSSMHGOZ-KFOFXXMESA-N 455.511 2.200 10 20 JECD O=C(Cc1cccnc1Cl)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804360523 FWPMIAZRAVRFLL-HRAATJIYSA-N 467.913 2.499 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1cnsn1 1804997215 WRLACFNNYIVEFJ-KKSFZXQISA-N 475.534 2.046 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccon1 1806000943 WDUKGEQAZHXZAT-CVTZPFNJSA-N 450.451 2.219 10 20 JECD Cc1noc(N)c1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1807111122 LRPFHQZCATWJHT-SMQNEPHISA-N 479.493 2.110 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1cc(O)n[nH]1 1807288532 TUXXUFRCAOUFLF-XIKOKIGWSA-N 457.874 2.208 10 20 JECD COCC1(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)CC1 1808465144 QWPYQIWMKAOEKY-WMZHIEFXSA-N 475.549 2.307 10 20 JECD Cc1n[nH]cc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808470232 UOTSYYAGVJDSIU-JPYJTQIMSA-N 471.521 2.226 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccn2ccnc12 1809886578 HZOCNXOQBABFIP-IERDGZPVSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(O)cc([N+](=O)[O-])c1 1811678160 DQDWLULYJMRLGQ-QKKBWIMNSA-N 479.449 2.135 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)C1 1813022873 CXOHRLZVBLVVKG-QCMGHPBJSA-N 482.537 2.187 10 20 JECD Cc1nc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)ccc1F 1814185138 LEPWYTCLZXJPKW-MGPUTAFESA-N 487.582 2.104 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814191641 MMGFOAHXNNVBOR-ZMMSGNDHSA-N 495.630 2.446 10 20 JECD Cc1nc[nH]c1C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362957 ZUWMITLYVWPROU-ZDUSSCGKSA-N 463.523 2.193 10 20 JECD Cn1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)n1 1823475571 XTGKRPMMFIJFGW-JKNJVXJCSA-N 466.498 2.208 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cnoc2C2CC2)[nH]n1 1823496687 OZKBDCUCBWPBJV-CQSZACIVSA-N 474.568 2.441 10 20 JECD CCOC(=O)O[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828197632 FTFXJYZODXBQBW-CSCBSUNKSA-N 491.522 2.447 10 20 JECD CC(=O)O[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)C(C)C 1828198408 BSVNVFJTMOXBQV-OMFINPOUSA-N 489.550 2.473 10 20 JECD N[C@@H](Cc1cccnc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877291 CXQRUVOHFCPRGL-ORMBLBCUSA-N 494.592 2.401 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)cc1 1839348288 LEHZCGKWIJQCCR-SANMLTNESA-N 477.565 2.130 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCOC4)C3)C2)cc1 1839349448 VEYHZCNLXBNFTJ-ATIYNZHBSA-N 467.566 2.201 10 20 JECD COC[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1841662840 PRRRJBPKZPQYMM-SJLPKXTDSA-N 491.585 2.020 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1841890223 TWHKHLTXCYYBNF-MFUYTVRRSA-N 463.534 2.077 10 20 JECD CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843248678 CSACVWJGRUZEPD-INIZCTEOSA-N 472.542 2.099 10 20 JECD COc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1-n1nnnc1C 726701553 QRLVJCNVPFFPFQ-QGZVFWFLSA-N 464.530 2.003 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)C[C@H](NC(C)=O)c3c(F)cccc3F)CC2)cc1 727577847 XUNGDVLAUHRUHL-NRFANRHFSA-N 475.492 2.433 10 20 JECD CNC(=O)COc1ccc(NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 729582363 XZJIUMWAXCHUTC-UHFFFAOYSA-N 455.559 2.154 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 749788126 NWQCYJWNIBSZLW-UHFFFAOYSA-N 452.511 2.020 10 20 JECD CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 750301460 GEECETWJABTCTC-QHCPKHFHSA-N 450.539 2.483 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)C[C@@H]3c4ccccc4CCN3C(C)=O)CC2)cc1 792097680 CLFIJMYTRUXBBT-XMMPIXPASA-N 465.550 2.423 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NCCCN1CCOCC1 864673930 UCQDWKQMUCCMMG-FOWTUZBSSA-N 484.441 2.489 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 899391084 FVXYDIDGCFPNBC-VXKWHMMOSA-N 457.571 2.464 10 20 JECD CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 917918616 QWXIFDQJXQKBEM-SOLBZPMBSA-N 457.568 2.049 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccc(CN4CCCCC4=O)cc3)nc12 919113256 ZRVJXQYLAKJKMW-UHFFFAOYSA-N 452.467 2.481 10 20 JECD CN1C(=O)c2ccc(C(=O)NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)cc2C1=O 919761437 AWPQZZYGPPWZSN-UHFFFAOYSA-N 474.496 2.098 10 20 JECD Cc1cc(CN2CCN(C(=O)NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)CC2)on1 919785257 WMEPSLCTTPWADZ-UHFFFAOYSA-N 494.575 2.266 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 1781766636 ORMAXXJYHADOIW-KFVKGYIZSA-N 487.440 2.008 10 20 JECD O=C(Cc1ccccc1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1781823981 GOTKCYFZARRXRI-YIXXDRMTSA-N 490.560 2.242 10 20 JECD COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1O 1782003560 UQDUKZPDIKAZCE-HSZRJFAPSA-N 476.913 2.152 10 20 JECD O=C(Cc1ccc(Br)cc1F)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783025562 AAQAUYIEPHGVKG-NRFANRHFSA-N 494.317 2.081 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccn3ccnc3c1)C2 1783222384 ROUVJYYJUJYUSV-ZYAZBWOASA-N 492.532 2.292 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c(F)c1 1790048691 WQFXZEILNDISAN-GRWTVWFQSA-N 494.523 2.221 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H]3CCOC3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245571 OQLCIOQNCJSUGB-DFHZNHDVSA-N 452.935 2.161 10 20 JECD CCOc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)cc1OC 1796602462 LBLDPFLXVNTZMI-BCDXTJNWSA-N 455.511 2.395 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(Cl)nc2n[nH]cc12 1807897056 OEAUARJHJVMITJ-XCLFUZPHSA-N 493.911 2.446 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CCc2cn[nH]c2)[C@@H]1c1cccnc1 1814162963 ZYXMTNPGIMYKFR-JSBPENQTSA-N 477.521 2.274 10 20 JECD CC(C)N(C)CC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814165511 GPFLCYACAGPYPW-UTYLOPDKSA-N 468.554 2.258 10 20 JECD COc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1814186071 KVHGQICFTWRQDW-JPYJTQIMSA-N 498.630 2.199 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cncn1-c1ccncc1 1816222238 KWYDAVWTDDZSIZ-KRWDZBQOSA-N 474.481 2.416 10 20 JECD COC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cn1 1817845325 JYZUCMKCVYJMMI-MRXNPFEDSA-N 466.454 2.017 10 20 JECD O=C(Cc1cncnc1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823707832 CAORZHWYKJGOJZ-GFCCVEGCSA-N 459.915 2.466 10 20 JECD CS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)c1 1823934778 WGBWSGDYUOQYBY-FQEVSTJZSA-N 487.578 2.443 10 20 JECD O=C(c1cccc2ccnn12)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902046 WYOVGBFLGUCDEA-GOSISDBHSA-N 485.635 2.428 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1ccc(O)cn1 1834338450 MTDCVHVKQUVOKL-UHFFFAOYSA-N 474.945 2.351 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@H]3C[C@@H]3C3CC3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134221 BAIYXAOPNBOCBD-PKTZIBPZSA-N 477.609 2.397 10 20 JECD CCc1ncsc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1838838160 IEKWYSSJSQWSAF-NRFANRHFSA-N 481.958 2.154 10 20 JECD CC[C@@H](C)[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1841632677 SZAJMHKCTGVUNP-UIFIKXQLSA-N 488.629 2.315 10 20 JECD CC(C)OC(=O)c1ncccc1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1842186328 QSZLCTRUTYUFPL-VQHVLOKHSA-N 481.505 2.294 10 20 JECD COc1ccc(N2CCN(C(=O)CSc3n[nH]c(=O)n3CCc3ccccc3)CC2)cc1 26336301 XUZWOAYYOVOSKU-UHFFFAOYSA-N 453.568 2.264 10 20 JECD COc1ccc(N2CCCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)CC2)cc1 108427593 VMXJIOVIOCQTDY-XMMPIXPASA-N 454.502 2.340 10 20 JECD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 116788169 JRJRMTZNEXOYBR-JOCHJYFZSA-N 454.502 2.477 10 20 JECD CCOC(=O)c1sc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1 727246898 ZQHATJYQBMGZRE-UHFFFAOYSA-N 467.550 2.435 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c1 729064006 NGTYUMVOCAZJAH-KBPBESRZSA-N 452.471 2.008 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1 748098025 RKUQIEBEIYSPDR-UHFFFAOYSA-N 455.895 2.154 10 20 JECD CCNC(=O)COc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OC 918205898 VVBIKUYOTXCMMA-UHFFFAOYSA-N 474.533 2.185 10 20 JECD CS(=O)(=O)Nc1cccc2c1CCN(C(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)C2 919653749 BKOUCZDFZWJHAH-IBGZPJMESA-N 485.610 2.028 10 20 JECD O=C(O)c1ccc(F)c(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919730485 YRXZEDMGVXNRQR-UHFFFAOYSA-N 489.504 2.258 10 20 JECD Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1C 1777848703 CLGVNAVPNQGTJZ-CJFMBICVSA-N 453.539 2.480 10 20 JECD Cc1ncc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)s1 1778391639 CETQISPDOWCHHT-HYBUGGRVSA-N 481.578 2.372 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cccc2cc[nH]c12 1778714737 GXEFLRORBKWHJE-HOYKHHGWSA-N 450.495 2.415 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1779338910 YHTQGQTZKMDFBD-FQEVSTJZSA-N 462.915 2.446 10 20 JECD CCn1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)n1 1781121420 UUNVAXOHJULJID-XMSQKQJNSA-N 462.934 2.409 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1782005172 XHPQPOKXTOIUSL-QHCPKHFHSA-N 483.912 2.089 10 20 JECD COc1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1F 1782005220 ZWDGPEMWLGAAHL-OAQYLSRUSA-N 465.865 2.051 10 20 JECD CCn1nc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c2ccccc21 1785508571 HXCHAACDSDZUIA-QQOLHMHLSA-N 492.532 2.330 10 20 JECD O=C(COc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1786484380 SKRFDLIIVURMCO-VHFSOBRXSA-N 460.914 2.424 10 20 JECD Cc1cc(C)cc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)c1 1791459876 OKEKAZGZVWWGJD-UFYCRDLUSA-N 489.663 2.076 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796600709 FJEGPSCNSZAOQL-MXASKKJJSA-N 460.531 2.002 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(F)CCCCC1(F)F 1797807019 OJKDPOZDKSMLRG-SJBDTSRBSA-N 463.547 2.403 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1ON=C(c2ccccc2)O1 1798330415 HKPJGMTVWCQQMN-MBEWRISNSA-N 479.489 2.190 10 20 JECD COc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c(OC)c1 1804336312 PKKNMQCKCRLKNO-BJWYYQGGSA-N 491.635 2.135 10 20 JECD C[C@H](Nc1nccs1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807992423 ADPACYPPFXDMLN-RFUYNDQBSA-N 468.539 2.165 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)N1CSCSC1 1807996141 YUHSPFGNIIULMS-PTSWNOGYSA-N 489.623 2.250 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCc2cn[nH]c2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808464131 JLTSQKKWSAQKFH-CJFMBICVSA-N 485.548 2.236 10 20 JECD CCn1nccc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808467026 CZDPKZCDMIHSHK-CYFREDJKSA-N 485.548 2.411 10 20 JECD CCOCCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813540819 VVJWDMNYNZOZET-VSEMJTJDSA-N 455.511 2.344 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc(Cl)nc2)[C@@H]1c1cccnc1 1814184678 CUTDNUIRBXNFNJ-IFXJQAMLSA-N 490.010 2.310 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)C(F)(F)c2ccco2)[C@@H]1c1cccnc1 1814190035 PCBXUJNAHBEXSB-KBXCAEBGSA-N 494.545 2.333 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)CCc2cccc(O)c2)[C@H]1c1cccnc1 1814191186 IKOCXFSDVGXHFB-MBSDFSHPSA-N 498.630 2.286 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1ncccn1 1816503097 QXQKNBFRETWUNS-GOSISDBHSA-N 458.482 2.299 10 20 JECD COC(=O)N[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)c1ccccc1 1816720514 WRDWGECZMXBLLI-AUUYWEPGSA-N 497.533 2.272 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1 1816728677 LEBPUAJSNVQMOH-AWEZNQCLSA-N 491.533 2.378 10 20 JECD CCC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)CCC1 1818869219 DCINDGKAQIDRGW-LLVKDONJSA-N 452.627 2.496 10 20 JECD Cc1nc(F)ccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1819985950 BPHFTXACWRHTJT-CQSZACIVSA-N 476.559 2.418 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)ccc2F)[nH]n1 1823499360 AVNYTIWNMWHVBP-HNNXBMFYSA-N 477.543 2.421 10 20 JECD O=C(Cc1cscn1)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1834838706 SIZCUUSOIVZQOK-UHFFFAOYSA-N 494.621 2.050 10 20 JECD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1)c1ccccc1 1840891224 GDQNZIOGBPWAJN-CCLHPLFOSA-N 490.560 2.039 10 20 JECD COc1cccc(-c2cc(C(=O)N3CCCC34CN(C(=O)CN3C(=O)CSC3=S)C4)c[nH]2)c1 1842178943 IGZBVUBTIVFPHA-UHFFFAOYSA-N 484.603 2.368 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cc(Cl)cc3nn[nH]c23)C1 1844751241 ZELLBBMCYGOJLV-UHFFFAOYSA-N 477.912 2.221 10 20 JECD Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C3)n[nH]1 1844769021 NRWBWFPMFGGCHQ-QGZVFWFLSA-N 499.568 2.082 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CC4(CCCN4C(=O)/C=C/c4ccc(O)c(O)c4O)C3)[C@@H]2C1 1847039509 XFQJOZFBGNFKIV-WVBGYWIOSA-N 499.564 2.133 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCCC1 1847299756 ZENNREJOSDEHKH-FSSWDIPSSA-N 485.629 2.002 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N[C@H](CC(=O)N(C)C)c3ccccc3)CC2)cc1 726241458 XGYJSGXPJVTVLT-HSZRJFAPSA-N 453.587 2.336 10 20 JECD Cc1ccc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c(O)c1O 727005183 JBVFVJKQEWCLMZ-UHFFFAOYSA-N 462.524 2.054 10 20 JECD C[C@H](OC(=O)Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 728369883 VUXPJFLEKULOJN-AWEZNQCLSA-N 492.509 2.222 10 20 JECD C[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 915030578 JTOKOTQPMJVFGL-CYBMUJFWSA-N 496.497 2.489 10 20 JECD Cc1nc(COc2ccc(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cc2)no1 918340547 RUPFDLUHITUEGX-UHFFFAOYSA-N 456.524 2.122 10 20 JECD CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 918373805 DFDGYEDLRCRUFA-SFHVURJKSA-N 451.527 2.235 10 20 JECD Cc1cc(C)n(-c2cccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2)n1 918465645 QNBCOZQUFJYDPF-HXUWFJFHSA-N 474.565 2.446 10 20 JECD CCOC(=O)N1CCC(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 918840813 MXPCLQJJCNEUSH-CALCHBBNSA-N 479.549 2.467 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc12 918865273 VLCZGHGKPOGVIE-UHFFFAOYSA-N 455.427 2.477 10 20 JECD NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 920938592 OMYGHOHLBHQBQV-JOCHJYFZSA-N 455.534 2.434 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)C3=NO[C@H](c4ccccc4)C3)C2)C1 1778173249 BXVRQBLMCYUFOA-SZQGMLEGSA-N 493.516 2.164 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1781931766 ASQSBMXZRTTYDO-OAQYLSRUSA-N 468.840 2.492 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1782003851 ZBNCYFVRKOXWNK-HXUWFJFHSA-N 453.829 2.182 10 20 JECD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1)c1cccs1 1783246730 GSYFYFGKLRNFOF-IUSZMWJPSA-N 481.665 2.226 10 20 JECD O=C(Cc1c(F)cccc1Cl)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1783814041 FRJOAZHJILKPSO-QITLCBANSA-N 463.893 2.121 10 20 JECD O=C(Cc1cccc(Cl)n1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1785428842 NYGCBCAVQLHZQK-OTXCBPGVSA-N 487.940 2.087 10 20 JECD COC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785510318 VNUBBCPVTIBSFN-UVXPNCNTSA-N 497.504 2.139 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cn2c(Cl)cccc2n1 1796856417 CNCAEHIFTDHVOW-XENLCIIUSA-N 498.923 2.021 10 20 JECD Cn1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c(C(F)(F)F)n1 1798113234 FSDZEGICJJBFFK-QHBPRCKVSA-N 488.850 2.021 10 20 JECD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(C)c1 1798857969 GCNYSRFGRDBLCJ-APSJEEFESA-N 452.507 2.337 10 20 JECD COCC1(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)CC1 1803537240 GZSLMVGXMAOKMR-WMZHIEFXSA-N 475.549 2.307 10 20 JECD Cc1cc(C)n(CC(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1804578630 ASYYWBNERHFOOZ-PAQDKISJSA-N 491.548 2.431 10 20 JECD CCO/C=C/C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808468866 FQGZUTQLXDJWHR-HYZXNOAKSA-N 461.522 2.431 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=COCC2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470495 WVTYGBPFSMXRJJ-FDDCHVKYSA-N 459.506 2.185 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccc2c1OCC2 1809002780 RYAWMCAARBOJNG-VGOFRKELSA-N 460.490 2.456 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810962948 WWTUJHNPPKDZMF-BFUOFWGJSA-N 490.442 2.274 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(-n3cncn3)c1)CC2)c1cc(O)nc(O)c1 1816728524 HTWRWGOFBWASSZ-CQSZACIVSA-N 477.506 2.070 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC3)cc1 1823438212 FVVDAKRJFRXTEE-HKUYNNGSSA-N 494.621 2.369 10 20 JECD CC(C)(C)OCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1824897410 NLYVLDLRCIJBFO-INIZCTEOSA-N 455.646 2.282 10 20 JECD Cn1cc(F)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1827946576 OSHLPSRJGQHBBV-INIZCTEOSA-N 466.604 2.258 10 20 JECD Cn1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)c1=O 1832876167 DEOCPFTYUHXDSJ-MFUYTVRRSA-N 481.549 2.449 10 20 JECD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc2c[nH]nc12 1834987102 BINWGSSFUSVPFZ-UHFFFAOYSA-N 478.553 2.177 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1csc(C(F)(F)F)n1 1836004347 GUQJXXQCYTYVKG-UHFFFAOYSA-N 499.515 2.467 10 20 JECD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccccn1 1838031839 QNMBYEDGHWKZEK-INIZCTEOSA-N 454.527 2.304 10 20 JECD O=C(Cc1cccc(F)c1F)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1839982296 LGPMFAKHDONJNX-QHCPKHFHSA-N 496.894 2.342 10 20 JECD COc1cc(C)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840680307 VIIRQEGNXJJHBC-XMMPIXPASA-N 490.940 2.452 10 20 JECD CC(C)(C)OC(=O)NC(C)(C)C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 743251143 XQHDOGXVTKUGPZ-UHFFFAOYSA-N 453.511 2.125 10 20 JECD CN(C)c1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1F 748105339 UQFFBPYLTAORBG-UHFFFAOYSA-N 492.573 2.269 10 20 JECD O=C(COC(=O)c1ccco1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 825177876 YRFPXBJPKBVJJK-SXGWCWSVSA-N 460.489 2.183 10 20 JECD CC(C)[C@@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C(=O)NC(N)=O 913359666 ANLRMDAHAYJMHC-BRADTZPFSA-N 455.583 2.492 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCC(=O)N3CCC(c4ccccc4)=N3)cc2)C1 917834828 QWKGVVQKIXKUDW-OAQYLSRUSA-N 461.566 2.421 10 20 JECD O=C(CCNC(=O)Cc1ccccc1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919697747 IKWHPJNGUSDTHU-UHFFFAOYSA-N 476.556 2.308 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NC[C@@H](O)c1ccccc1 919782602 MFVIZUNUGKUFTG-JOCHJYFZSA-N 450.518 2.475 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NC[C@@H](O)COc1ccc(F)cc1 919910624 NOELYPFIQVHZTO-HXUWFJFHSA-N 498.534 2.321 10 20 JECD COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 920637979 PLTKHQMBTGEORP-GFCCVEGCSA-N 450.469 2.043 10 20 JECD C[C@H](NC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)c1ccc(N2CCOCC2)cc1 920927534 XYURVYQDONTBMV-INIZCTEOSA-N 490.557 2.018 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2)C1 1317985673 RCJGKMXISPHCDT-RTWAWAEBSA-N 463.582 2.020 10 20 JECD CCc1nc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)co1 1779822214 VURMTCAZHBSRNS-CJFMBICVSA-N 479.537 2.157 10 20 JECD O=C1CCc2ccc(C(=O)N3CC[C@@]4(CN(C(=O)C5=NN(c6ccccc6)C(=O)C5)CCO4)C3)cc21 1782309643 RDHFSZUEUIZQRR-MHZLTWQESA-N 486.528 2.052 10 20 JECD CCN(CC)[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1)c1ccccc1 1782815318 SFDFEROWVWWOOZ-RDGATRHJSA-N 468.554 2.019 10 20 JECD CSCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1784562637 JNOALAWUDJCJBP-QRFRQXIXSA-N 472.611 2.148 10 20 JECD O=C(/C=C/c1cc(F)c(F)c(F)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1791159443 YVXRYAKGVLDQLG-GTTLUYMLSA-N 477.439 2.217 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cnc1C 1792217763 LOHCLHFQOPRWTO-DRQHBJNOSA-N 467.522 2.122 10 20 JECD O=C(Cc1cccc(Cl)n1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1794196237 VRBTVHZQLXORKM-DBWKPXFBSA-N 466.321 2.246 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H]3Sc4ccccc4[C@H]31)C2 1802079562 KLCPMEBGYBORDO-MIUWLYNLSA-N 494.569 2.294 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1Cc2ccccc2C1 1804509759 FSALJDMYEUGXAS-REPLKXPHSA-N 457.621 2.290 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)nn1C 1805594059 OSFKMVOQHXMUTR-XZSBDORCSA-N 477.521 2.273 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCc2ccc(F)nc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993225 GYJAJFJKQBIZMH-UZUQRXQVSA-N 465.485 2.374 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1nc[nH]c1[N+](=O)[O-] 1808372192 QLLZMIPLXVTHQZ-YVEFUNNKSA-N 486.872 2.411 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(=O)oc2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468467 RBDRJELCALPFQQ-KOSHJBKYSA-N 485.500 2.147 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc2ncoc2c1 1809410565 NAACZMUBVAMEOJ-IIBYNOLFSA-N 495.586 2.403 10 20 JECD CN(CC(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1)C(=O)c1ccccc1 1810546434 AZRNGLOFOLTJME-UHFFFAOYSA-N 466.538 2.110 10 20 JECD Cn1ccc2c(O)ncc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c21 1811277042 XWNPRTDTWYQSOQ-VFNWGFHPSA-N 488.504 2.114 10 20 JECD COc1ccc2[nH]cc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c2n1 1811321809 OIPNSCINCWETBN-WNSKOXEYSA-N 488.504 2.406 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c(C)o1 1814185700 FBNZPAYEFOSGOL-JXFKEZNVSA-N 472.592 2.471 10 20 JECD CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cn1 1814186541 RUFQMZKLSZQJMC-HRAATJIYSA-N 483.619 2.219 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814190017 OHXAQBVSSXBKQW-CECAUBDESA-N 498.630 2.415 10 20 JECD Cc1c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)nc2ccccn12 1818105398 OKLQRIKERRANLO-CYBMUJFWSA-N 464.507 2.445 10 20 JECD COc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)ccc1O 1820586691 XAVAIJDIFVSJHN-CQSZACIVSA-N 489.579 2.290 10 20 JECD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708425 YTNRIGLOUPHKOM-JTQLQIEISA-N 492.901 2.238 10 20 JECD O=C(NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)c1cccs1 1825239367 WCFIUBYELRPIIE-QGZVFWFLSA-N 472.567 2.218 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1826546732 SHGWMZFAIWFLTK-JSGCOSHPSA-N 489.648 2.189 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN)CC1 1827550216 VXHXFQBHDHCLRZ-FGZHOGPDSA-N 487.645 2.283 10 20 JECD CNc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc1 1828242229 FORCJRIOCLTGMG-CYBMUJFWSA-N 475.621 2.271 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cccc(C(F)(F)F)n1 1835914247 RHAZQOOGAFURFD-UHFFFAOYSA-N 493.486 2.406 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1ncccc1F 1836025234 HZHCGCQKKAFNDZ-GQCTYLIASA-N 484.528 2.236 10 20 JECD O=Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)s1 1837923467 FULHVEPEJSSIJL-UHFFFAOYSA-N 495.648 2.033 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccncc3Cl)CC2)CC1 1838029719 FYNSQZBKGXNHBG-UHFFFAOYSA-N 460.918 2.467 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1839434029 JTPRFDKYKKSQOG-QHCPKHFHSA-N 486.912 2.011 10 20 JECD Cc1cccc(F)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881643 HUDBORMVUARBQL-UVXPNCNTSA-N 486.496 2.034 10 20 JECD C[C@H](NNc1ccccc1)C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1841067787 NGNOSUCISAEOFN-SOGBHIHOSA-N 452.511 2.025 10 20 JECD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843443000 JUOBTMYUJMYBBV-UHFFFAOYSA-N 479.468 2.273 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)cc1 1845398376 GPLXBIXAIJQKKF-UHFFFAOYSA-N 493.589 2.376 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCc3nc(-c4ncccn4)no3)cc2F)C[C@@H](C)O1 727902176 FBNYVXQDFLZHJI-IYBDPMFKSA-N 498.515 2.072 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(CCN4[C@@H](C)CC[C@H]4C)CC3)CC2)cc1 729607759 XDVFMKJNGOSNTE-ZRZAMGCNSA-N 472.678 2.017 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)cc1 749974094 YFNRZVWAOFEIDP-UHFFFAOYSA-N 498.492 2.184 10 20 JECD C[C@@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C(=O)N1CCC(C(N)=O)CC1 913362746 XEHQPAFAURGTIL-MLDYKZIASA-N 495.648 2.385 10 20 JECD CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 916676979 XRPXNGVQOIVQSI-JOCHJYFZSA-N 490.601 2.345 10 20 JECD CC(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 917834358 JGPMKFOGJRKXLV-IBGZPJMESA-N 458.584 2.005 10 20 JECD CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918372539 MIVPDAOYKVKEAU-DVECYGJZSA-N 461.566 2.233 10 20 JECD CCn1c(=O)nc(O)c2c(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc(C3CC3)nc21 918672303 HQVXBXLPVJVXKY-QGZVFWFLSA-N 490.564 2.026 10 20 JECD CCCS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918673297 PHFWAGCGEJSGHX-SFHVURJKSA-N 458.584 2.470 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3OCCO4)C2)C1 1777837953 OOZWDORQLDIBRQ-HSZRJFAPSA-N 474.897 2.280 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1782373644 SPZVEGKXNGEFSC-QFIPXVFZSA-N 474.876 2.295 10 20 JECD Cc1nccn1[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1782627319 AEUSLZZYNBBZRH-QCIUDXLNSA-N 492.580 2.059 10 20 JECD O=C(/C=C/c1cccc(O)c1)N1CC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1783272405 OGXFFDCZVSGXHW-OGJPMFGRSA-N 474.517 2.028 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3CCCC4)C[C@@H]21)c1cc(O)nc(O)c1 1787294509 NDSIEBYKIRPEAP-NDXORKPFSA-N 451.523 2.279 10 20 JECD CCOC(=O)c1c(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)c[nH]c1C 1793294269 DYLOONCNSNPOJV-BCDXTJNWSA-N 470.526 2.191 10 20 JECD CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)cc1C(=O)O 1796932598 MEJJXNVNEQFGGN-VBUUOAMHSA-N 492.536 2.207 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)n1ccnc1 1803308380 MRGKPNIKJCAPHM-WWEVIYMKSA-N 485.548 2.338 10 20 JECD CN(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccc(Cl)cc1 1804336403 UYJPYIFGSJDOED-AXVVYFOYSA-N 495.070 2.441 10 20 JECD Cc1nnsc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808646466 GOVYVZVDJKAWEH-UWJYYQICSA-N 489.561 2.354 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1c(F)cncc1F 1811042069 ZADQDZUHPVLRDK-ZUOKHONESA-N 455.421 2.194 10 20 JECD Cc1ccc(O)c(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1811765180 XUGQLLGAIUXZGS-HRAATJIYSA-N 484.603 2.276 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)n1cncn1 1811810536 UGHRBSQUQGCZQC-MUKKUYKPSA-N 470.917 2.319 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H](CNC(=O)C(Cl)(Cl)Cl)[C@@H]1c1cccnc1 1812723457 SKOXIPTWLWUTBN-RISCZKNCSA-N 495.841 2.318 10 20 JECD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)no1 1814165252 DHWAVIYYKKQCPK-QLFHSEGHSA-N 478.505 2.457 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)C2CCC(O)CC2)[C@@H]1c1cccnc1 1814167234 ZBIQBEUMHSKWDO-UQVXRDOXSA-N 481.549 2.469 10 20 JECD CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)N(CC)CC 1815332011 HVCMPDJTABJTAJ-HOTGVXAUSA-N 480.660 2.383 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)C1 1818649779 HSUSFJPBHRUVII-CYBMUJFWSA-N 489.554 2.042 10 20 JECD O=C(Nc1cccnc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1820052711 XBESYWCYOGSENA-LLVKDONJSA-N 487.925 2.467 10 20 JECD COCc1c[nH]c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c1 1820158244 FMPWJXAZZZVZPS-HNNXBMFYSA-N 476.584 2.050 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccc(Cl)cn3)sc2C1 1820436047 SVQDKRXKGFULKV-JTQLQIEISA-N 482.012 2.278 10 20 JECD Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)n(C(F)F)n1 1821572166 WXYGPTOMXAFVNJ-JTQLQIEISA-N 464.454 2.389 10 20 JECD Cc1nccn1CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1821733803 LETOFXZHGYOSKC-DBWMJRBXSA-N 466.498 2.437 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822816181 WVYFSYPVXMCLOX-CXAGYDPISA-N 452.471 2.384 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714580 GFNYQUQUNNNVRX-JOCHJYFZSA-N 481.597 2.314 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(F)c1)CC2 1828246905 IDAGEXZCHMAKJT-LBPRGKRZSA-N 464.569 2.368 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccc(Cl)nc1 1833010523 HMFGFDCQVQGJAV-UHFFFAOYSA-N 459.934 2.040 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccon2)CCO3)cc1 1834489697 WRFXBKYRUXAHBJ-RUZDIDTESA-N 464.522 2.466 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NO[C@H](c4ccccc4)C3)CC2)CC1)c1cc(O)nc(O)c1 1834987018 ALPKSLQHZUADMZ-QFIPXVFZSA-N 493.564 2.196 10 20 JECD COC(=O)[C@H]1CCC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)C1 1838031758 KELFDUKULNLQJG-SJORKVTESA-N 489.569 2.084 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)C1 1842862728 OABUTYJARZTWFU-MDKPJZGXSA-N 484.647 2.428 10 20 JECD O=C([C@H](O)c1ccccc1Cl)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847036770 CANYEZRNDCEPDW-FHVRUZERSA-N 458.898 2.407 10 20 JECD O=C(COC(=O)CNC(=O)c1ccc2c(c1)OCO2)Nc1cccc2c1C(=O)c1ccccc1C2=O 45255842 LCEZEXOFMSQDST-UHFFFAOYSA-N 486.436 2.102 10 20 JECD COC(=O)c1cc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c(C(=O)OC)s1 726519114 CAHBGYHNGODPFT-UHFFFAOYSA-N 482.945 2.147 10 20 JECD CCNC(=O)[C@@H](C)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 914438417 XDTGGMOLTVZCSX-GARZTLJTSA-N 456.387 2.291 10 20 JECD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)ccc1Cl 915779161 YLPNGTRFFDAEMB-UHFFFAOYSA-N 464.975 2.445 10 20 JECD O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916457125 WPGNORGWGBUHJL-UHFFFAOYSA-N 454.449 2.023 10 20 JECD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(OC)c1 917832711 GBJMECDYNZSMFX-AUSIDOKSSA-N 494.592 2.327 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(N4CCNC(=O)C4)c(Cl)c3)cc2)C1 918037407 OICUMDLKOCPFOS-QGZVFWFLSA-N 484.988 2.300 10 20 JECD O=C(CN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1)N1CCCCCC1 918219381 KATQRQQPHYGCBM-UHFFFAOYSA-N 475.609 2.017 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)nc12 918841765 VDWKFZJPNLUECS-UHFFFAOYSA-N 469.454 2.480 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CC[C@H](C(F)(F)F)NC3=O)cc2F)C[C@@H](C)O1 919080967 UZXOPTATDAUEHR-HOPMXRPOSA-N 489.466 2.056 10 20 JECD COc1cccc([C@H](CNC=C2C(=O)NC(=S)NC2=O)c2c[nH]c3ccccc23)c1OC 920979981 PMLMRZIGQSTZRZ-HNNXBMFYSA-N 450.520 2.321 10 20 JECD CN(Cc1ccc(C(N)=O)cc1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1115885631 TUWDHUIFLOQRQW-UHFFFAOYSA-N 477.544 2.383 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)o1 1779027378 OTSHVEYFBMRMNK-NRFANRHFSA-N 463.874 2.060 10 20 JECD CCOc1ccccc1C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1780546029 XEQYKHXJDQXEME-AREMUKBSSA-N 476.533 2.322 10 20 JECD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)ccc1F 1781674123 RXLHVAFSINMRJF-RUZDIDTESA-N 464.497 2.371 10 20 JECD Cn1nncc1C(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788671494 SWQNGCIHNDDKSO-UHFFFAOYSA-N 457.494 2.356 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncnc1 1795193513 HITAIFVLONSGFD-CIAFKFPVSA-N 494.596 2.447 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cnc[nH]1 1796770621 FZHLIBRFYQYROT-FVTFTPSCSA-N 496.612 2.309 10 20 JECD O=C(CS[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1797799406 JOKUEKYZUIQRBM-FTUNRGFVSA-N 470.975 2.214 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1C[C@@H]1c1ccccc1 1800927081 GLOJBDMIKOGLJZ-RNAISNRJSA-N 464.518 2.210 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccc(-c2ncc[nH]2)cc1 1804340537 UWSPMQMVJDZTKL-BJWYYQGGSA-N 469.592 2.189 10 20 JECD Cc1cccnc1CCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1804405581 KTJQLYXKOPTBMY-FDDCHVKYSA-N 497.646 2.284 10 20 JECD Cn1nc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)cc1O 1804899211 NJSDIGHTFFUOFE-YJYMSZOUSA-N 471.901 2.219 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cocn1 1806024506 MFJQPLLACRMVRG-SFFRXTGVSA-N 450.451 2.219 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(Cl)nc2n[nH]cc12 1807897052 OEAUARJHJVMITJ-RBZFPXEDSA-N 493.911 2.446 10 20 JECD CN(C)c1cccc(OCC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1807993203 GEXKCGCRFZPHHM-BVZFJXPGSA-N 491.548 2.352 10 20 JECD Cc1[nH]nc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)c1F 1808464859 PWVRFIOUWDSZDI-HXOBKFHXSA-N 489.511 2.365 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2nc[nH]c2c1 1809818364 LCNZLZSWRCZAIP-OPAMFIHVSA-N 458.478 2.398 10 20 JECD O=C(CSc1nc[nH]n1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1813349306 QFUIGGDYSSUPAD-ACJLOTCBSA-N 488.957 2.376 10 20 JECD CN(C)C(=O)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1814005688 AJVPPZPEBQGWOG-XXBNENTESA-N 489.532 2.223 10 20 JECD Cc1noc(C)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816405981 YTOSEIUIJGCCBV-CYBMUJFWSA-N 462.557 2.181 10 20 JECD O=C(C[C@@H]1CNc2ccccc2O1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816725872 NAAVJNGCYGQPAA-ZIAGYGMSSA-N 481.534 2.438 10 20 JECD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728404 OFRTWPZYIZOJAA-STQMWFEESA-N 491.570 2.478 10 20 JECD Cc1nccnc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1820884335 PSVNINWRAZBWSN-LPZVBRGNSA-N 467.507 2.298 10 20 JECD C[C@H](Cc1ccccn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1826541309 SNNAFAANCFMLNA-DOMZBBRYSA-N 453.524 2.449 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CO)c(F)c2)CC1 1832736273 AXTBQPDVSRQEFE-LJQANCHMSA-N 493.626 2.412 10 20 JECD C[C@@](O)(CC(=O)O)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878725 ZYLHEUNLAWNAKP-JXEUVGLKSA-N 490.553 2.052 10 20 JECD C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249047 QEGRBBIMHPJZMB-NVXWUHKLSA-N 474.558 2.203 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)[C@@H]1CC1(F)F)C2 1844251600 KFDYRNKLLZIZOP-JKSUJKDBSA-N 495.523 2.392 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2c(Cl)ccc(Cl)c2O)C1 1845477623 WDGDHFBWMFGBIX-UHFFFAOYSA-N 474.391 2.376 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)NCC3(c4ccc(F)cc4)CCOCC3)nnc2n1 108894497 PYGBZCJGXYETOF-UHFFFAOYSA-N 488.593 2.479 10 20 JECD COc1ccc(N2CCN(C(=O)C[S@@](=O)Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1 729875529 FPZLMTNBXJKSAK-YTTGMZPUSA-N 458.515 2.482 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(CS(C)(=O)=O)c3)cc2F)C[C@H](C)O1 746989481 JPGXWKYXDJDSSF-HOTGVXAUSA-N 477.558 2.239 10 20 JECD Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(O)c1O 750619484 QCVMAUIRCFPJDH-UHFFFAOYSA-N 484.530 2.249 10 20 JECD O=C(COC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 914975766 WLXIELYARIMPHW-LBPRGKRZSA-N 474.391 2.355 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)cc2F)C[C@@H](C)O1 917710034 LYLCVZHNXCUHCO-KRXBEKAOSA-N 496.539 2.285 10 20 JECD O=C(COc1ccc(CCNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1)NC1CC1 918107810 VHPFGOUQXCTPQV-UHFFFAOYSA-N 470.545 2.362 10 20 JECD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 920195659 YMKUQEQFAQWXAB-UHFFFAOYSA-N 488.610 2.115 10 20 JECD CC[S@@](=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781122040 JGSFUDXZSUWATF-CCSNXWMJSA-N 472.991 2.037 10 20 JECD O=C(Cc1cccnc1Cl)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004514 YMWRCIYZKMZLHV-NRFANRHFSA-N 466.321 2.486 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@H]1C[C@]1(F)Cl 1782297380 XXUCBJBATLHQKI-SEKVQACRSA-N 468.909 2.255 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccn(C(F)F)n1)C2 1783221644 JNFVYXRGEWOBJA-FKSJFJBLSA-N 492.479 2.236 10 20 JECD Cc1cccc2[nH]c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)cc12 1788323242 HBGBJGQSWHRMIE-VHFSOBRXSA-N 450.495 2.190 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3cn4ncccc4n3)cc2)CCC1 1789055149 YZCKMUCXTTXUNX-UHFFFAOYSA-N 480.575 2.337 10 20 JECD COc1cccc(-c2ncccc2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)c1 1796006172 PGLGEGZRJNWJRQ-FEJSZKPUSA-N 490.516 2.080 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccnc(Br)c1 1798020442 RMKNLVZMVQHZLF-FVCICTRLSA-N 496.745 2.426 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cccc(C(F)(F)F)c1 1798902008 ORAAKYWXBLWMDG-ZSBFGKGUSA-N 451.401 2.029 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)C(=O)c1ccc(Cl)cc1 1804334131 BNKICTBYDXHDDE-QDMKHBRRSA-N 465.984 2.021 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cncnc1 1805795026 OWDMKAFTXHMOKJ-JEYNVIPUSA-N 461.478 2.021 10 20 JECD CC[C@@H](C)[C@H](O)C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1806073995 LSXSDSJVRGOFLY-GCJKJVERSA-N 454.571 2.418 10 20 JECD CC(C)(O)CC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1806781333 OJGWOJLMODLJOZ-QSUDOZCYSA-N 455.511 2.079 10 20 JECD Cc1cnn(CC(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)c1 1807664182 GQKZQAKALOZKQB-NBGIEHNGSA-N 485.548 2.085 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2nccc3[nH]ccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994450 SAOAIGTZWOUCBN-IVZQSRNASA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1cc2n(n1)CCC2 1809981460 MBWBBCQZZWNFFP-UQBPGWFLSA-N 497.559 2.337 10 20 JECD CCc1ccnc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1814189362 OXQDJERQAOLBPX-DYESRHJHSA-N 483.619 2.219 10 20 JECD COc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c(O)c1OC 1816729547 VRRRTKCPFBEEFT-NSHDSACASA-N 486.506 2.212 10 20 JECD C[C@@H](Nc1nccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817845202 GAAACIQOWWPELU-BXUZGUMPSA-N 457.516 2.479 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1n[nH]c2c1CCCC2 1817873700 RBIMAJOTXUZGHN-MRXNPFEDSA-N 451.487 2.438 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN)[nH]n1 1817980954 LMGUDRIZVYNZFL-MOPGFXCFSA-N 485.589 2.079 10 20 JECD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)n1ccccc1=O 1828197582 BXFSZOGWOFWVGP-SSWZSUJXSA-N 496.545 2.308 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)C(C)C)CCO3)cc1 1830871782 BBVPTGUZRPPDOG-JYFHCDHNSA-N 469.582 2.181 10 20 JECD O=C(c1ccc2cncn2c1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901983 HKJYJYXWADGIKD-LJQANCHMSA-N 485.635 2.428 10 20 JECD CC(=O)C[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1836557641 MRHPUVUJPXXAOG-NBUZRDOWSA-N 473.570 2.003 10 20 JECD CC(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)on1 1838779094 PNHMFQHBAOHITE-JOCHJYFZSA-N 479.917 2.246 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cc(Cl)cnc2O)C1 1840984623 OMBOFNDPLQKLCQ-UHFFFAOYSA-N 453.886 2.051 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)CCc2c[nH]c3ccccc23)C1 1843071726 GTJBVJHEIWAUCM-UHFFFAOYSA-N 456.593 2.164 10 20 JECD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251166 BOFFDYWRRDBPGM-HOTGVXAUSA-N 460.531 2.003 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)[C@H]2CC(c3ccccc3)=NN2)C1 1845743849 HCSOPRVMYDGJDL-GOSISDBHSA-N 454.914 2.334 10 20 JECD O=C([C@@H]1CCc2ccccc2O1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037397 NACWOWDKAKPIDK-ZBWUASRJSA-N 450.491 2.414 10 20 JECD O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)cc2)c(S(=O)(=O)N2CCOCC2)c1 108854306 JCQJBZVIBZZCJF-UHFFFAOYSA-N 462.528 2.064 10 20 JECD Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)cc1 725812519 LOYRXIOGDNTKMN-NRFANRHFSA-N 458.628 2.368 10 20 JECD COc1ccc(N2CCC(NC(=O)CCNS(=O)(=O)c3cccc(C(C)=O)c3)CC2)cc1 726627402 JMAHJSSCWJMHGD-UHFFFAOYSA-N 459.568 2.351 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)C[C@@H](NC(C)=O)c3c(F)cccc3F)CC2)cc1 727577848 XUNGDVLAUHRUHL-OAQYLSRUSA-N 475.492 2.433 10 20 JECD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 728632701 AOBNVLKHBWDAMP-HSZRJFAPSA-N 494.548 2.085 10 20 JECD COCCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 729327071 XBXPDERPUQKOHV-UHFFFAOYSA-N 484.578 2.062 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(=O)Nc1ccccc1-n1ccnn1 918277078 LAGDNGCZAHZZEK-UHFFFAOYSA-N 474.443 2.378 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3ccccc3)cc2F)C[C@H](C)O1 918852814 HSZAQEIJMBEPTP-IRXDYDNUSA-N 457.502 2.029 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1 920343105 UKIKAGWTZHNVBO-IYBDPMFKSA-N 494.545 2.332 10 20 JECD Cc1cc(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 1317690303 QDHRJSHWIPCRKZ-UHFFFAOYSA-N 454.487 2.417 10 20 JECD Cc1ccc(OCCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1 1777846404 GIFBOKVQLDXHLJ-CJFMBICVSA-N 469.538 2.398 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783223223 ZWZAYMZGNKLRAP-DMDPLBLGSA-N 497.548 2.193 10 20 JECD COc1ccc(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)CCC2)cc1 1787295453 VQGFPCYRESJAJE-NDXORKPFSA-N 481.549 2.217 10 20 JECD CC(C)n1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1788934050 NUZYMYVBWNFPBB-RFUYNDQBSA-N 462.934 2.436 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4ccnn34)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790246122 NLHQQPJFACRMQW-RISOHXOYSA-N 470.913 2.306 10 20 JECD O=C(/C=C/c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1795758337 MEAOBZIBFZIGPU-RRKPIFQSSA-N 456.520 2.181 10 20 JECD CN(C)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796749098 LUJHATPSFOTVIS-CIAFKFPVSA-N 487.645 2.295 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2c(c1)CCCO2 1797847361 HNFKJSVQPFZDAO-BCDXTJNWSA-N 473.620 2.053 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@@H]1C[C@@H]1c1ccccc1 1800921888 GPKLOOXDYPUNDU-MPUYOSENSA-N 472.545 2.173 10 20 JECD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1802240032 DJZMIFNULGUROD-PPQDBTBKSA-N 478.549 2.173 10 20 JECD COC(=O)CSCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1803575485 GQOGKPITOYEWHO-XOBRGWDASA-N 493.969 2.372 10 20 JECD COc1ccc(CCC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cn1 1804265725 PPHAPASIWWWSJO-KOSHJBKYSA-N 477.521 2.244 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cn2cc(Cl)ccc2n1 1804333587 SSYKELZRJHREJX-BTTYYORXSA-N 477.999 2.100 10 20 JECD O=C(CCc1cncnc1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1807509024 QZRNXIBVJSVHNG-LTOCVMFMSA-N 489.532 2.340 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2cnccc2n1 1809147526 RKSHKZLRMSVXSL-SBUREZEXSA-N 470.489 2.464 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1cc2n(n1)CCC2 1809981456 MBWBBCQZZWNFFP-DFBJGRDBSA-N 497.559 2.337 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c(C)n1 1811225452 ZADMJQQHEGAFQS-LAUBAEHRSA-N 483.619 2.273 10 20 JECD CCn1nccc1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162057 FNDVWMSWSTVPKH-LFXIQIKPSA-N 477.521 2.448 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cocn2)[C@@H]1c1cccnc1 1814162864 SLHHJDJRCPSILQ-SFFRXTGVSA-N 450.451 2.219 10 20 JECD Cc1nnsc1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814163497 DYQZFXZGBIVTNO-ROISZYCASA-N 481.534 2.391 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc3ncoc3c2)[C@@H]1c1cccnc1 1814189286 ODEWVGZMAKHIPD-HRAATJIYSA-N 495.586 2.403 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814189382 GNOCXFCNIMJRRV-GTCCEBARSA-N 497.646 2.222 10 20 JECD O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722593 PNRQNLITIVGIRV-ZDUSSCGKSA-N 468.491 2.147 10 20 JECD Cc1nccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)n1 1817739656 PKAJMNJOKFOLLJ-AWEZNQCLSA-N 475.534 2.260 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccc2nc[nH]c12 1817855350 WWRLLYQJWNPRGS-HNNXBMFYSA-N 483.579 2.452 10 20 JECD CC(C)[C@@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145725 HWANMQGECHDUJE-GHTZIAJQSA-N 452.515 2.212 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3C=CS[C@H]32)[nH]n1 1823499425 GBIQQEMWPVHDDF-OAEJOCTFSA-N 463.610 2.137 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ncccc3[nH]2)[nH]n1 1823499431 GUAQYEFOLZVOPV-MRXNPFEDSA-N 483.579 2.452 10 20 JECD CC[C@H](NC)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715343 LPODKLOYQUSQEM-RBBKRZOGSA-N 453.587 2.397 10 20 JECD O=C(Cc1cc[nH]n1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717801 ZLDLKZRLXAJGIV-QFIPXVFZSA-N 462.554 2.365 10 20 JECD O=C(CC1CC1)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1828899326 HZXOHONCFMEUPX-AREMUKBSSA-N 494.548 2.359 10 20 JECD O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836419121 SSHBLZPFHJGCLP-NRFANRHFSA-N 499.417 2.035 10 20 JECD Cc1nccn1CC(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838731757 GJVQVTRJDDUGTR-HWKANZROSA-N 484.553 2.020 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3sccc3F)C2)C1 1839432759 ZJNNZVBHQOXRDM-FQEVSTJZSA-N 470.906 2.336 10 20 JECD CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843248796 OLBJEEPQTNOFNX-LJQANCHMSA-N 482.537 2.405 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(OC4CCCC4)nc3)cc2)C1 727037851 KFYOQZSGZFUMAF-SFHVURJKSA-N 465.554 2.360 10 20 JECD CC(=O)Nc1cccc(OCCNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 729233887 YYLRBUDBPJPSEP-LJQANCHMSA-N 453.543 2.225 10 20 JECD CCN1CCN(c2ccc(CNC(=O)[C@@H](Cc3cccc(OC)c3)n3nnnc3C)cc2F)CC1 730496957 BIZUBGOWVKXODO-XMMPIXPASA-N 481.576 2.371 10 20 JECD C[C@@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)N1CCC[C@@H](C(N)=O)C1 823027623 LEOIGQOYMSJNGT-CHWSQXEVSA-N 468.893 2.385 10 20 JECD CS(=O)(=O)c1ccc(-c2csc(NS(=O)(=O)c3cccc(S(C)(=O)=O)c3)n2)cc1 906482441 MOBCHJJBEBGYIG-UHFFFAOYSA-N 472.591 2.418 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3cc4c(cc3Cl)CCC(=O)N4)cc2)C1 917929961 KWSCLKVLUHCJSY-INIZCTEOSA-N 476.986 2.405 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc4c(c3)OCC(=O)N4)cc2F)C[C@@H](C)O1 918892246 WXCOYIIMVPZUMM-HUUCEWRRSA-N 471.485 2.243 10 20 JECD O=C(COC(=O)[C@H]1CCCCN1C(=O)c1ccco1)NCc1ccc(N2CCOCC2)c(F)c1 919641666 FZWBEQSFSDYPRV-HXUWFJFHSA-N 473.501 2.110 10 20 JECD CC(=O)Nc1ccc(OC[C@@H](O)CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 920092190 MLIOWLBNCHBXBN-QFIPXVFZSA-N 494.571 2.430 10 20 JECD CN(C)C(=O)c1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1Cl 920188324 LBXICUITSVWSBE-UHFFFAOYSA-N 458.946 2.476 10 20 JECD C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 920879480 NDQNMVZVDWQYAD-HXUWFJFHSA-N 487.622 2.354 10 20 JECD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c1 920922073 BDAYAJGMGXXPRK-MRXNPFEDSA-N 456.568 2.468 10 20 JECD C[C@@H]1CCc2c(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)n[nH]c21 1777855550 HZMCRJCRLVHENF-VERVWZFWSA-N 460.918 2.281 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(F)(F)C(F)F)C2)C1=NN(c2ccccc2)C(=O)C1 1778126837 KNHIQXSDIDEHSI-IIBYNOLFSA-N 484.450 2.194 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4c(c3)CCCO4)C2)C1 1778272449 WXWUPHOULSTWNQ-KKGOCVRDSA-N 494.544 2.214 10 20 JECD O=C(COc1ccccc1F)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009089 RENPEACVPRYRID-QFIPXVFZSA-N 464.877 2.413 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccn3nccc3c1)C2 1783222396 SFSWSDUZPHPYMG-MUIWDSRZSA-N 492.532 2.292 10 20 JECD Cn1cc(F)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783222468 WRGTYTJSGYQPAZ-XHDSPZKDSA-N 473.501 2.122 10 20 JECD CC(=O)Nc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)ccc1C 1785509743 BKUZAJPBRSPMIO-WHVGEVHXSA-N 495.532 2.227 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc(F)ccc3F)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787541330 FDGRKWPCFMVYTA-GRWTVWFQSA-N 496.514 2.280 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1n[nH]c2ccc(F)cc12 1788389937 VBZURMHZOKZWNT-PRSSHNPISA-N 496.495 2.126 10 20 JECD Cc1cc(-c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)nc(O)c3)C4)n[nH]2)ccc1Cl 1795920324 YPLOODQTWGBERU-MFKICJERSA-N 497.939 2.362 10 20 JECD CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)cc1Cl 1796140585 PVNJCEDUFKNUMD-VPTLXERWSA-N 475.929 2.450 10 20 JECD Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1Cl 1799027567 ORVZFHYBEYPOHW-RBVVOMGSSA-N 454.918 2.118 10 20 JECD C[C@@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CC=CCC1 1801536553 LRFBTLJSWAHLBV-VCYDUHQGSA-N 450.539 2.115 10 20 JECD Cc1nc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)ccc1F 1804944272 IZCFCEKXOGUJJP-YWZLYKJASA-N 487.582 2.104 10 20 JECD Nc1ccccc1/C=C/C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1807221704 VLOLTKLJYLSPPV-XUERSVHISA-N 495.630 2.243 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc(O)cc1F 1811072357 BAFMSAUUXFSYBE-VLIAUNLRSA-N 488.566 2.106 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCN(C(=O)CNC(N)=O)[C@H]2c2cccnc2)cc1 1811273249 OLVVZYMBRWMZNH-URXFXBBRSA-N 474.565 2.477 10 20 JECD COC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162897 YGRPXKNORXUFSK-KFOFXXMESA-N 455.511 2.200 10 20 JECD Cc1nc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)ccc1F 1814185137 LEPWYTCLZXJPKW-FOIQADDNSA-N 487.582 2.104 10 20 JECD O=C(CSc1ccncc1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816721159 HFGIEMWDSRTBHC-LBPRGKRZSA-N 457.537 2.362 10 20 JECD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)C1(O)CCC1 1817357064 KUJVICHZTIFCPG-CABCVRRESA-N 481.578 2.399 10 20 JECD Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1817608357 GJPXUUPDBMBFEE-KTROKBFUSA-N 473.536 2.359 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(N3CCOCC3)n2)[nH]n1)c1cc(O)nc(O)c1 1817845127 AIWYLSRDMLJOPE-SFHVURJKSA-N 493.524 2.067 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@@H]1Cc2ccccc2CN1 1817999156 BSDFPMMRDKLOHM-OALUTQOASA-N 462.510 2.236 10 20 JECD O=C([C@@H]1CCc2nc[nH]c2C1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428937 LRCJZOAHGBEGFC-UZLBHIALSA-N 453.543 2.254 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1827971620 FSKYHKXUUBEAJZ-GFCCVEGCSA-N 477.543 2.090 10 20 JECD C/C(=C/C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2)C(=O)O 1828082358 PQWKKWMQZYABRM-NAXAJZLFSA-N 451.888 2.464 10 20 JECD CCc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)n(C)n1 1828198201 VEJDETNSNBIZIK-VZUFXWRPSA-N 483.550 2.495 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)C1CCOCC1)CC2 1828199499 WGVQNKIQUXGRPI-HSVJCBRXSA-N 459.524 2.312 10 20 JECD Cc1ccc(F)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1830079382 OPCTYWLCHCHUQV-OGPASDKVSA-N 486.496 2.034 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)Cc2ccccc2)CC1 1831544380 VPDQBXZOQWXZFQ-LEWJYISDSA-N 453.539 2.330 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccnnc2)CCO3)cc1 1834032106 VPJIWOUBJAISGJ-AREMUKBSSA-N 475.549 2.268 10 20 JECD COc1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834987970 COEWMZNMAMEYSZ-UHFFFAOYSA-N 482.581 2.319 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)CC1)c1cc(O)nc(O)c1 1834988465 VVOPWLSHDJSREK-JOCHJYFZSA-N 464.566 2.408 10 20 JECD Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)cn1 1835134758 ZQWKMPGMJAWMKN-UHFFFAOYSA-N 488.592 2.368 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1cnc2ncccn12 1835387544 OLTQHWHEEFRICG-UHFFFAOYSA-N 498.971 2.293 10 20 JECD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)n1ccnc1 1836777916 WECCTGNKUMAOIU-LJQANCHMSA-N 492.580 2.236 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CCCS3(=O)=O)C2)cc1 1845914348 JCPSTWXUPJMDQJ-NRFANRHFSA-N 455.580 2.488 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N[C@H](CN3CCOCC3)c3ccc(C)cc3)CC2)cc1 742947639 KENCXZJRJXZRFC-AREMUKBSSA-N 481.641 2.498 10 20 JECD C[C@H](OC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 748966036 ATGHYJPCDLKZLZ-AWEZNQCLSA-N 492.509 2.435 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 918009194 ICGOPQKENHJGKL-NRFANRHFSA-N 499.637 2.172 10 20 JECD COC(=O)/C=C\c1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 931295774 KCIYABMWGYYIGG-CLFYSBASSA-N 476.467 2.200 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)cc1 1782676379 ILCJUUFEHKHQRA-SANMLTNESA-N 491.548 2.112 10 20 JECD COc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1783774020 AUADMQKVHLZULL-HTZUNMPGSA-N 490.940 2.432 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)C1CCC(F)(F)CC1)CCO2 1785503339 IGUMJTJDQGKUPW-WYAMSBGYSA-N 466.481 2.472 10 20 JECD O=C(Nc1ccc(C2(NC(=O)[C@H]3CCCS3(=O)=O)CCC2)cc1)C1=NN(c2ccccc2)C(=O)C1 1788674022 MNSULNKHUVRELV-OAQYLSRUSA-N 494.573 2.491 10 20 JECD CCOC(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)OCC 1791420336 ACMXWPKNOHMYJT-YEWWUXTCSA-N 470.950 2.134 10 20 JECD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)C1 1792958714 SHEGPTMDSVSPLR-DNEZFVSUSA-N 494.972 2.324 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796931216 VFVSSBRHFPTXKS-JVICHNFNSA-N 485.588 2.474 10 20 JECD Cn1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)c(C(F)F)n1 1796934196 CHFFDYPVGWTQHB-RBVVOMGSSA-N 470.480 2.402 10 20 JECD C[Si](C)(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)co1 1797725226 HLPPKOGLLIVYBS-CCWDJLKJSA-N 479.005 2.406 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccccc1)C2 1802081495 YUVAPKORDYDEPT-XCGSFKAYSA-N 450.491 2.120 10 20 JECD CC(C)(C)OC(=O)NCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1802122600 YXHXMLBNSQAOOU-CCWDJLKJSA-N 497.976 2.259 10 20 JECD COc1ccccc1CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804334848 YPOKMXRFZIDILQ-BJWYYQGGSA-N 461.609 2.126 10 20 JECD Cc1cnn(CC(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)c1 1807664181 GQKZQAKALOZKQB-CPJSRVTESA-N 485.548 2.085 10 20 JECD Cc1nc[nH]c1CSCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807996539 VDJJMOOLMCTHLB-ZHRRBRCNSA-N 482.566 2.172 10 20 JECD CO[C@@H](C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1)c1ccccc1 1809152759 FMPHCHRBMNHNIR-HXUWFJFHSA-N 475.636 2.466 10 20 JECD O=C(NCC(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)C1)c1ccco1 1810139303 DDVYNPGIMSMVMX-FNORWQNLSA-N 483.521 2.071 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC2(CCCN(C(=O)c3cnc(O)nc3O)C2)CC1 1810870212 PJGOVKBOCMHTIU-UHFFFAOYSA-N 462.890 2.111 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cc(O)ccc1F 1810926650 ZWZXOHFBUXADKT-XOBRGWDASA-N 488.566 2.106 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CN2CCCCC2)[C@@H]1c1cccnc1 1814163035 VUNNMAMINRWSNE-KLBPFGMTSA-N 480.565 2.404 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccnc(F)c1 1815424721 KOCLKSKPAHPFJO-CYBMUJFWSA-N 462.532 2.110 10 20 JECD CN1CCC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)C1 1817361765 FWFXUOZLIWXBEF-JKSUJKDBSA-N 480.594 2.190 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cnc4ccccn34)sc2C1)c1cc(O)nc(O)c1 1818295099 VFWRGYQBDOYGOY-GFCCVEGCSA-N 450.480 2.137 10 20 JECD O=C(c1cn2ccccc2n1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901923 GQCHUOPDSKQYHU-SFHVURJKSA-N 485.635 2.428 10 20 JECD O=C([C@@H]1CCC=CO1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902769 UOHMXJJRANJODI-SJORKVTESA-N 451.614 2.159 10 20 JECD Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c(C(F)(F)F)o1 1835101951 FTVDLNHRJBRKAZ-UHFFFAOYSA-N 497.474 2.307 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)c3ccncc3)CC2)CC1 1837423976 XHONXMBCOPEEJK-UHFFFAOYSA-N 475.549 2.487 10 20 JECD Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)sc1C 1839433381 FXWBQFHOIQAAGE-NRFANRHFSA-N 481.958 2.208 10 20 JECD COC(=O)c1ccccc1CCC(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1841437250 QUESAWIICGAANX-UHFFFAOYSA-N 488.544 2.402 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc3cc(F)c(F)cc3[nH]2)C1 1844012538 AASOGWOKICRZHN-UHFFFAOYSA-N 464.519 2.123 10 20 JECD Cc1cn(CC(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)c(=O)nc1O 1845399642 URBNPZWQENQFJU-UHFFFAOYSA-N 475.549 2.182 10 20 JECD CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726718197 BCNTWNWSUFKIFB-KRWDZBQOSA-N 460.547 2.370 10 20 JECD COc1ccc2ccc(O)c(CN3CCN(S(=O)(=O)c4ccc5c(c4)NC(=O)CO5)CC3)c2c1 731354630 SPIINUOCXRAVJM-UHFFFAOYSA-N 483.546 2.391 10 20 JECD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 745298484 KSTGYZUPFYJYIW-FQEVSTJZSA-N 497.548 2.020 10 20 JECD COc1cc(OC)cc(C(=O)Oc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2OC)c1 915840768 SAFNYJZCKKHUCR-UHFFFAOYSA-N 454.435 2.365 10 20 JECD O=C(Cn1c(=O)nc(O)c2ccccc21)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 917380867 PJXKVIKONRSIOX-UHFFFAOYSA-N 462.428 2.274 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)CC2)cc1 917650639 FOFNKSPYCUAIAK-UHFFFAOYSA-N 472.611 2.078 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 918303875 MEPIIKUAVRUSLT-UHFFFAOYSA-N 471.583 2.210 10 20 JECD Cc1ncnc(O)c1CCC(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 1337701735 KHDRXXLWNCPHFA-HUUCEWRRSA-N 460.506 2.036 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnn(Cc3ccccc3)c1)C2)c1cc(O)nc(O)c1 1777851076 OIPDRKDBPNUALZ-QFQXNSOFSA-N 491.548 2.179 10 20 JECD Cn1cc2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)ccc2n1 1782007668 KLRRNHBLUXZWIK-HSZRJFAPSA-N 470.913 2.395 10 20 JECD C/C=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)CCO2 1783060259 SLRIXHJUDRXELV-YRBVZRPHSA-N 472.586 2.111 10 20 JECD Cc1cc(/C=C/C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)no1 1788674381 RHHSBTAFUJUHEU-MSPWOPKDSA-N 461.902 2.354 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1c(F)ccc(O)c1F 1790209149 BAGZRTKECRFRTH-UVFQYZLESA-N 498.486 2.057 10 20 JECD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796935083 UNJPXOYENSJCQH-PPQDBTBKSA-N 478.549 2.173 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COC(=O)C(F)(F)F)c1cc(O)c(O)c(Cl)c1 1798343702 HMLDBKJXTIBPJJ-JGPRNRPPSA-N 450.797 2.109 10 20 JECD Cc1nn(C)c(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)c1F 1805150224 MWWBNCLOCMZEJR-QXMHPGBQSA-N 495.511 2.412 10 20 JECD O=C(CN1CCCCC1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1806884754 PNYPNKMVKDULGF-HFZDXXHNSA-N 488.592 2.366 10 20 JECD C[C@]1(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)CCCN1 1808098952 AXJOLNCHWHELBT-FXIIFXFPSA-N 466.538 2.060 10 20 JECD N[C@@H](Cc1cccnc1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1808365536 PLBQESIGIXFPEX-RBDMOPTHSA-N 495.967 2.431 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(=O)oc2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468471 RBDRJELCALPFQQ-UUOWRZLLSA-N 485.500 2.147 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccn2nccc12 1812153317 FCJLUQHCQQXIKO-AOMKIAJQSA-N 458.478 2.169 10 20 JECD COC(=O)c1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1813200275 JIMKTPNMMREEKM-CYFREDJKSA-N 490.516 2.237 10 20 JECD O=C(Cc1ccsc1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1815613976 GXQNCHBMKDSRAT-NSHDSACASA-N 466.635 2.220 10 20 JECD O=C(Cn1ccnc1)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1816548729 ZPRMXOUDRYEZBA-YERXGYGTSA-N 452.471 2.129 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817847748 WASXELHXASDNDL-OAHLLOKOSA-N 474.518 2.435 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146324 CBNOUZZPBAYDRA-MGPUTAFESA-N 479.541 2.062 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1820680475 CYZINOGHIYDHRS-VIFPVBQESA-N 482.444 2.241 10 20 JECD C[C@H](Oc1cccnc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822820088 XOUYMRHHRJFCPQ-BBRMVZONSA-N 488.595 2.125 10 20 JECD CC(C)(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)cc1 1836419178 WYHQIPSXDJSDGG-VWLOTQADSA-N 485.537 2.054 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)CCCn3ccnc3)CC2)CC1 1838806226 IGDHROPFJSJXIV-GQCTYLIASA-N 498.580 2.492 10 20 JECD Cc1ccc2c(/C=C/C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(O)nc(O)c5)C4)C3)c[nH]c2c1 1840935863 ALSFUSSMUGMBCO-SDYFHRIUSA-N 492.532 2.066 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)CCc1cnc[nH]1)C2 1843330677 LTMPLSROVCZPEF-OAQYLSRUSA-N 496.612 2.264 10 20 JECD COc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1 1843443286 UYCOQSUHMYJAMF-UHFFFAOYSA-N 450.470 2.444 10 20 JECD CN(C)C(=O)c1cccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1 1847037473 KXIFDIFNPGDLDM-CSKARUKUSA-N 465.506 2.036 10 20 JECD C[C@@H]1Cc2cc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2N1S(C)(=O)=O 36784813 UQNLOQHCKFNAOO-MRXNPFEDSA-N 459.568 2.279 10 20 JECD COc1ccc(N2CCCN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)CC2)cc1 108096563 DHKPKRXQKLMHLZ-UHFFFAOYSA-N 476.555 2.341 10 20 JECD C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)C1 731219795 HWBGVCKWIOZXOG-TZIWHRDSSA-N 475.609 2.184 10 20 JECD COCCN1C(=O)/C(=C/NNc2ncnc3scc(-c4ccc(OC)cc4)c23)C(=O)NC1=S 814318673 HEFAPDWXSJSWCP-NTEUORMPSA-N 484.563 2.057 10 20 JECD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 915779172 WYIGWLKXMJPUPI-UHFFFAOYSA-N 470.533 2.399 10 20 JECD CCN(CC)c1ccc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)NC[C@@H]3CCCO3)c2=O)cc1 916219681 JECLZOITEMZWRH-NRFANRHFSA-N 499.677 2.276 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)C1 917832056 IAGSHKGYOHZKBR-NRFANRHFSA-N 484.622 2.105 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3N3CCN(C)CC3)cc2F)C[C@H](C)O1 918286237 FXHYPGLADIQQST-OALUTQOASA-N 483.588 2.446 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(OCC(=O)N4CCCC4)c3)CC2)cc1 918461367 AAEZHSCZZZMYOX-UHFFFAOYSA-N 480.565 2.374 10 20 JECD CCN(CC)S(=O)(=O)c1ccc([C@H](C)N/C=C2/C(=O)NC(=S)N(CC(C)C)C2=O)cc1 920980297 IAMBIVNIWBPBNE-BRYHAGSVSA-N 466.629 2.151 10 20 JECD O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCCN2CCC[C@@H]2C1 1318063866 BMBMKDKBTLHCHN-QGZVFWFLSA-N 460.512 2.412 10 20 JECD CN1CCN(c2ccc(CNCc3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)cc2F)CC1 1318340749 SZIXXMJPPYHIEJ-OAQYLSRUSA-N 476.618 2.325 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1779611731 GCEVBNUQNQNGRK-HSZRJFAPSA-N 483.912 2.294 10 20 JECD Cc1ccc(C(=O)C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1782008461 AXLFPTGAZHCWCD-HSZRJFAPSA-N 458.898 2.386 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)[C@H]1C[C@@H]1c1ccc(F)cc1 1783884271 KPPGNWXAKKOQFO-IQOMPXODSA-N 455.486 2.029 10 20 JECD C[C@H](Sc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1784358314 IUZWQYMEMDISNY-LAQRGFTBSA-N 493.676 2.007 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cnc3ccoc3c1)CCO2 1785509210 PFDBTAJGCBEBCO-UQPVFDRXSA-N 465.462 2.102 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C(F)(F)F)c3)C[C@@H]21)c1cc(O)nc(O)c1 1787294455 QJIZIZKCQFHCEV-YEWWUXTCSA-N 497.445 2.487 10 20 JECD CN(C)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)cn1 1789027495 WJYORWIEYCSSCG-QOKNQOGYSA-N 474.945 2.119 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1791157300 BLMSPJYTZKGRMQ-SDCOAXJVSA-N 497.976 2.258 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccnc(C(F)(F)F)c1 1794545897 DRRDYFBOUYNRNH-PZPAOMODSA-N 493.438 2.134 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(=O)NCC(C)C)cc1 1796466531 RLVSMFDAWFWZMW-IUTQVRIDSA-N 466.582 2.070 10 20 JECD CC(C)n1nc(C(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)cc1C(=O)O 1807694059 WMQPFXHDTRMFFF-UHFFFAOYSA-N 471.514 2.127 10 20 JECD CN(CC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)C(=O)OC(C)(C)C 1807991034 MVIZKYLQZIKSFS-IERDGZPVSA-N 485.541 2.074 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3nc[nH]c3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995572 GLKBXWWACGHXQN-AOMKIAJQSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccc2nc[nH]c12 1808005815 PTJIFFIMDTXFFR-QRQCRPRQSA-N 458.478 2.398 10 20 JECD O=C(/C=C\C(=O)NC1CC1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1810135160 NQCSQTGHOWXVEV-CDNAXBDKSA-N 484.940 2.301 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)C1 1813022869 CXOHRLZVBLVVKG-FIQUECFISA-N 482.537 2.187 10 20 JECD Cc1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)nn1C 1814987810 UQJAMMQIYLAXRV-NRFANRHFSA-N 488.552 2.479 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)C(F)(F)C(F)(F)C(=O)O)CC1 1824868889 XKJPNQNZHCORJF-ZDUSSCGKSA-N 477.411 2.081 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828246553 AZWHMILYTUDFEH-OCCSQVGLSA-N 489.648 2.189 10 20 JECD Cc1ccn(C)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1829832155 MAHVNVRSLGRBFP-KRWDZBQOSA-N 462.641 2.427 10 20 JECD CCc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)n(C)n1 1832900795 KUWJAOVZSHVVIE-QGZVFWFLSA-N 477.656 2.076 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)[C@H]3CCc4ccccc4[C@H]3O)CC2)CC1 1836740294 XZNOGIPRGVKJOR-WIOPSUGQSA-N 495.576 2.401 10 20 JECD O=C(Cc1cscn1)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837943871 TYPAWSDNHDOYSH-UHFFFAOYSA-N 495.605 2.477 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3cccc(F)c3)CC2)CC1 1838582238 MYGFAJILTMWVHO-UHFFFAOYSA-N 479.599 2.298 10 20 JECD O=C(CSc1ccncc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432644 URWBATOPLWEYTQ-QFIPXVFZSA-N 493.969 2.009 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433581 YFLXNWAXUGTMGL-GYCJOSAFSA-N 490.940 2.289 10 20 JECD COc1ccc(N2CCCN(Cn3nc([C@@H]4CCS(=O)(=O)C4)n(C)c3=S)CC2)cc1 108224986 SVZYVEJVKHDZTO-MRXNPFEDSA-N 451.618 2.032 10 20 JECD C[C@H]1CN(c2ccc(CNC(=S)NCc3ccc(S(N)(=O)=O)cc3)cc2F)C[C@@H](C)O1 726468613 GCTKMHRRHWEZSN-GASCZTMLSA-N 466.604 2.251 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC[C@H](c4nnc5n4CCC5)C3)cc2F)C[C@@H](C)O1 728915847 VYEOLGZMFCQBCW-GGPKGHCWSA-N 470.593 2.473 10 20 JECD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCc3ccc4c(c3)CCCN4C)CC2)cc1 746879985 PMDMSAQNRKZBCP-UHFFFAOYSA-N 498.649 2.307 10 20 JECD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c1 747017504 OGUFEHKMGJWIQQ-UHFFFAOYSA-N 458.584 2.402 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(-n4cccn4)cc3)CC2)cc1 915744448 IONTYKSNZXXQST-UHFFFAOYSA-N 462.554 2.148 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCC(C(=O)NCC(F)(F)F)CC3)CC2)cc1 916197441 ZOASXKJJIUFSFP-UHFFFAOYSA-N 485.551 2.307 10 20 JECD COCC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918285948 CFTKXGKWSCALHE-IYBDPMFKSA-N 472.517 2.279 10 20 JECD CCn1c(S)nc2cc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)ccc2c1=O 918372052 JQAIUMKVHYPFID-KRWDZBQOSA-N 465.579 2.337 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3COc4ccccc4O3)cc2F)C[C@@H](C)O1 919040954 JYGMEXLKQUSTHR-ZMPRRUGASA-N 458.486 2.439 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)Cc3c(C)nn(-c4nc(C)cc(C)n4)c3C)nc12 919075707 WHRKATOCRPYGQJ-UHFFFAOYSA-N 479.497 2.107 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)c(S(C)(=O)=O)c3)n2)o1 919939459 VEKDWXKQOZTTMN-UHFFFAOYSA-N 473.529 2.383 10 20 JECD COc1cc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1NC(=O)c1cccnc1 920194478 DFPNKBSRDOGFNH-UHFFFAOYSA-N 489.532 2.434 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCOCC1)C2)c1cc(O)c(O)c(Cl)c1 1781121202 JNZQCAISUDZBDJ-XMSQKQJNSA-N 452.935 2.305 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)n2ccnn2)CCO3)cc1 1781753622 FPHREGOOQZVWOO-NLFFAJNJSA-N 462.554 2.390 10 20 JECD COc1cc(C)ccc1C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1785000226 GWXLROMKJBIMFE-AREMUKBSSA-N 476.533 2.240 10 20 JECD Cc1ccc(OCCC(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785503579 LLAGTIOXZNYUOS-SDFSIIPZSA-N 482.533 2.424 10 20 JECD CN1CCC(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)CC1 1792314451 CHVYTFYOHQSPBH-UHFFFAOYSA-N 460.625 2.323 10 20 JECD CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1797796737 APGDLDXVEFBZIW-HSFUPAIVSA-N 492.548 2.340 10 20 JECD COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 1799620460 LOIIBIPGFPGADB-BRTYFSMRSA-N 491.592 2.454 10 20 JECD Cc1cc(F)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1801888552 BCGYDNKXJZHITR-GPVSGQMNSA-N 464.497 2.130 10 20 JECD Cc1ncccc1CCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1804309381 NYDOYGKTRCJUDY-XXBNENTESA-N 497.646 2.284 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c2n1 1807995830 UUVHOZRRTQMFII-WNSKOXEYSA-N 488.504 2.406 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2[nH]cnc2-c2cccnc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996096 XVBVDNQFLLOIEV-UZUQRXQVSA-N 485.504 2.306 10 20 JECD C[C@H](Cn1ccnc1)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808470908 ZVHXCQQLGNTYLE-FZOAFFARSA-N 499.575 2.413 10 20 JECD C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)O1 1809559832 SFKGNPPLCIHBBG-NAOSLSSXSA-N 475.549 2.448 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)ccc1O 1811019797 SIUGELKCAZZKDP-DYESRHJHSA-N 484.603 2.276 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803350 IDGCWYPEFCFQTI-KZULUSFZSA-N 457.874 2.208 10 20 JECD O=C(Nc1cccnc1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811805860 FARYXXXOBQMJKE-FOIQADDNSA-N 495.923 2.500 10 20 JECD Nc1ncc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)s1 1815189674 FFIJQVGSDXLDMO-NSHDSACASA-N 481.563 2.201 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)C1=CCCS1 1815273610 HKTQKLPIWJIABV-GFCCVEGCSA-N 451.599 2.283 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1nccc3[nH]ccc13)CC2)c1cc(O)nc(O)c1 1816725721 OXGQEFXEDRJOMZ-LLVKDONJSA-N 450.480 2.365 10 20 JECD Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)nc2nccn12 1817847388 YWSWFMNOADXQBJ-MRXNPFEDSA-N 462.470 2.187 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccco2)[nH]n1 1823496002 ADQHYLZTHLESHD-HNNXBMFYSA-N 461.569 2.488 10 20 JECD COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)n(C)n1 1825476300 XYVKXBZCKOMUHI-NRFANRHFSA-N 492.580 2.455 10 20 JECD Cn1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)n1 1827137916 MCGBTNMIRHWRLC-QHCPKHFHSA-N 476.581 2.375 10 20 JECD Cc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)sc1C 1828247205 OXJLWTVUBMYLDG-JTQLQIEISA-N 481.650 2.303 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccnn3n2)CC1 1829566272 OOQQDFMAZGAOFH-IBGZPJMESA-N 450.499 2.083 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCOC2)CC1 1832376856 MQXIKDIDZPSTNP-DENIHFKCSA-N 452.555 2.436 10 20 JECD O=C(COc1ccc(O)nn1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878612 VKNMJMBRQZGLFD-QKYXPGDISA-N 498.536 2.011 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835133848 DQXRJUIGYQJHEV-QFIPXVFZSA-N 483.638 2.247 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(F)CCCC=C3F)C2)C1 1840881698 KBDISXOCOBUOQZ-HWGSQVGPSA-N 494.491 2.019 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845502629 VDXKDEBBKCWLPW-HWKANZROSA-N 460.870 2.398 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCCC12CN(C(=O)C1(c3ccc(O)cc3)CC1)C2 1847034842 PIWFAYZOTLBSLR-YCRREMRBSA-N 450.491 2.457 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CN3C(=O)C(=O)N(C(C)C)C3=O)c2C)c1 10601811 SHXIUYXBEVLODJ-UHFFFAOYSA-N 483.477 2.049 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)[C@@H](C)Oc4ccccc43)CC2)cc1 28635887 YZSAXJFJRTXPSD-LJQANCHMSA-N 452.555 2.138 10 20 JECD COc1ccc(CN2C[C@H](C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2=O)cc1 726502026 BSSAFSKRXBPPOT-LEWJYISDSA-N 464.566 2.062 10 20 JECD Cc1cc(C(=O)COC(=O)c2cccc(C(=O)N(C)C)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 728641542 FCSZKODNUTZIDK-UHFFFAOYSA-N 483.546 2.483 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(CCN4[C@@H](C)CC[C@@H]4C)CC3)CC2)cc1 729607758 XDVFMKJNGOSNTE-GOTSBHOMSA-N 472.678 2.017 10 20 JECD O=C(CNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)NCCc1ccccc1 746891482 BEZMTMYFIZDRIV-UHFFFAOYSA-N 498.517 2.190 10 20 JECD Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 746980918 BVGAGWHEQRJKCK-UHFFFAOYSA-N 461.588 2.280 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)CC2)cc1 783639834 ZHUIZKCZIDQMDU-UHFFFAOYSA-N 466.943 2.258 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1 917751897 NEYDNDZZEWAGSR-UHFFFAOYSA-N 452.963 2.306 10 20 JECD Cn1c(=O)c2sccc2n2c(COC(=O)c3ccc4c(c3N)C(=O)c3ccccc3C4=O)nnc12 918848325 PSWWQZHKOULGDI-UHFFFAOYSA-N 485.481 2.357 10 20 JECD CCOC(=O)N1CCC(NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 919784724 RWNLGBJGVODKSY-UHFFFAOYSA-N 485.564 2.362 10 20 JECD CS(=O)(=O)c1ccc([C@H](O)CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 920092297 QBGJQVOLZBKLFX-HSZRJFAPSA-N 485.585 2.169 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 920194993 LXEKNJIHEOSQIG-UHFFFAOYSA-N 450.539 2.451 10 20 JECD O=C(Cc1c(F)cccc1F)N1CC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1780798133 IYLMVDYYGREGHQ-VWLOTQADSA-N 482.487 2.130 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1781239804 FAEXPYOHKPQMHV-XMMPIXPASA-N 487.940 2.450 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)Cn2cncn2)CCO3)cc1 1781752952 DMRPMINNMRFOKN-NIYFSFCBSA-N 476.581 2.465 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NO1)CCO2 1782004320 VCRBKVPMTDSEFF-RDPSFJRHSA-N 485.924 2.388 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)C1 1782005367 BEZWJJFHPWXIHY-QHCPKHFHSA-N 495.960 2.062 10 20 JECD O=C1CCc2ccc(C(=O)N3CC[C@@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)cc21 1782313987 ITYHMRSPNVZHNN-OZJHFHSKSA-N 478.501 2.089 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(F)c(F)ccc4c3)C2)C1 1782469958 FKAPJHPAHHJAGA-HSZRJFAPSA-N 470.432 2.077 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)C3Cc4ccccc4C3)C2)C1 1785678229 UICDURBGGYCHPJ-HHHXNRCGSA-N 472.545 2.024 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCNC(=O)C4)[C@H]3C2)cc1 1791348755 XPIVGAUEEIZZDE-WMIMKTLMSA-N 478.593 2.214 10 20 JECD CNc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cc1 1792218787 QQPNNKLHSURJMZ-IBWVBOCMSA-N 467.522 2.152 10 20 JECD C[C@@H](C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1)N1C[C@H]2C[C@H]2C1 1792315247 UBBJTFONDZGZBO-HRCADAONSA-N 472.636 2.321 10 20 JECD CC(C)(C)OC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1793824599 UPTYUIHCKBOCRE-VBUUOAMHSA-N 454.527 2.149 10 20 JECD O=C(CCc1ccsc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1795779601 GRGANUUDLDXTIT-FEJSZKPUSA-N 466.563 2.063 10 20 JECD CCC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1)n1cccc1 1796479814 WJUVBBYHFIJOPE-OMXLDXBASA-N 477.565 2.212 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@H]1COc2ccccc2O1 1796931165 QLVJJPJJNBFQAB-YCMMZOLNSA-N 474.517 2.258 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cncn1-c1ccncc1 1796932745 ZKANRNJBVYZPOZ-ZHPFXUNLSA-N 483.532 2.312 10 20 JECD Cn1ccc2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)c21 1797050969 MHHQRVFRTCCLDR-NHKMSHSESA-N 485.544 2.174 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc(Cl)ccn1 1798050684 ZLGGPPGBBIRCMR-DPIQGUFMSA-N 452.294 2.317 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCC2 1798103207 IIZYEFYEENSXRB-ZBTRPWJCSA-N 452.511 2.301 10 20 JECD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc(Cl)n1 1798290475 JBDWFCQBNZXRCH-IVWMJMPLSA-N 482.320 2.325 10 20 JECD Cc1cccc(CC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)n1 1805692890 IMCGRQWOCLFABM-UHFFFAOYSA-N 460.625 2.024 10 20 JECD CCN(C)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1812311041 OTJCRJYHLHGCDE-WWEVIYMKSA-N 476.581 2.221 10 20 JECD COc1cccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1814190039 PDVVOUSJYJAZMQ-DYESRHJHSA-N 484.603 2.270 10 20 JECD O=C(CCS(=O)(=O)c1ccccc1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1816981699 RXGWOXSNNMMRHZ-SFHVURJKSA-N 499.549 2.386 10 20 JECD O=C(COCc1ccccc1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1817131471 LZSPJJVBNJPTIE-QGZVFWFLSA-N 487.607 2.479 10 20 JECD O=C(/C=C\C(=O)NC1CC1)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1819270947 UVDKYEZUAIFHEE-ZCPJJFRWSA-N 489.536 2.030 10 20 JECD Cc1nn(C)c(C)c1CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822790432 FWISWTNQFJFHJC-QGZVFWFLSA-N 453.503 2.115 10 20 JECD CC(=O)N(C)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476803 OSCRRGBNLDANSL-UGAXZCSASA-N 471.514 2.100 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCCC2=O)CC1 1826730132 IPQPOODMPDXDFS-XSBJJCPUSA-N 471.554 2.059 10 20 JECD Cc1nn[nH]c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827308435 ZMSFZCKJFSEAJX-HXUWFJFHSA-N 463.542 2.139 10 20 JECD Cc1c(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)cnn1C 1828195778 VRPYEDDPBVMUOC-GBVBUYCNSA-N 469.523 2.241 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccsc1)CC2 1828239811 IIOQPWGDTINRAF-SNVBAGLBSA-N 452.608 2.291 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828250384 RJIQNLZFLNEQDX-GXTWGEPZSA-N 489.648 2.189 10 20 JECD O=C1OCCN1CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1828382975 UZRIJSNDSGLWCE-JOCHJYFZSA-N 495.580 2.241 10 20 JECD O=C([C@@H]1C[C@]1(F)Cl)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899857 KVDAWPYRXSIURL-IQUTYRLHSA-N 462.012 2.391 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCc4ccoc4C3)CC2)CC1)c1cc(O)nc(O)c1 1834985963 SEUTYQVJLINVLT-KRWDZBQOSA-N 468.554 2.076 10 20 JECD Cn1ccc(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)c1 1837372615 ULVAVGUNDHYXNE-UHFFFAOYSA-N 477.565 2.430 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)CCCC(F)(F)F)C2)C1 1840880171 ZXXWGIIVRMIJSZ-LWQICCLCSA-N 488.459 2.006 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)C1 1841477497 RXVHNJQTDYHHEA-GOEBONIOSA-N 460.531 2.003 10 20 JECD COc1cc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)cc(C(F)(F)F)n1 1843250267 FKKMKOVGQSDRFL-UHFFFAOYSA-N 452.389 2.046 10 20 JECD O=C(c1cnc2ccc(F)cn12)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442539 QQLSTZGMCGOFIX-UHFFFAOYSA-N 460.469 2.083 10 20 JECD Cc1ccc(CC(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1[N+](=O)[O-] 1845206374 FFDBAVYVMCEYBR-SOFGYWHQSA-N 467.478 2.479 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)C1 1846253251 FKPSJFHQFNGGDS-UHFFFAOYSA-N 474.583 2.303 10 20 JECD O=C(CCn1c(=O)oc2ccccc21)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847033963 REZNCTCOWYIYOY-VQHVLOKHSA-N 479.489 2.018 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(N4C(=O)CCCC4=O)cc3)CC2)cc1 726725676 BKZDHPCYNCZGSY-UHFFFAOYSA-N 464.522 2.462 10 20 JECD Cc1nc2cc(O)nn2c(C)c1CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 729525152 DTFWHKGOVBQDEV-UHFFFAOYSA-N 490.543 2.166 10 20 JECD Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C)n1-c1ccc(C(C)C)cc1 750584140 AYOQERYCNYREKR-XZOQPEGZSA-N 459.612 2.445 10 20 JECD CC(C)SCC(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 914661354 ADGSVDFEZMVDGI-PXNMLYILSA-N 482.605 2.418 10 20 JECD Cc1cccc(NC(=O)CN2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)c1C 917016636 DQFRYAZTPASLAS-UHFFFAOYSA-N 497.615 2.152 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(CC(=O)N(C)C)cc3)cc2F)C[C@@H](C)O1 918286272 GJVHKWXJWAYZLI-IAGOWNOFSA-N 470.545 2.325 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)nc12 918973030 BNZVLVQUCDDAJW-UHFFFAOYSA-N 467.265 2.392 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(-n2ccnc2)nc1 919762135 VAIRSZWWOGLRTN-UHFFFAOYSA-N 458.501 2.453 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 919970590 NXKOCRRKGVHHSC-UHFFFAOYSA-N 490.582 2.328 10 20 JECD COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 920882000 UKYWLQYAFGWHDY-NSYGIPOTSA-N 466.538 2.176 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncccc1C(F)(F)F)C2)c1cc(O)nc(O)c1 1777851326 WDTDNNRLLQFYTQ-QVKFZJNVSA-N 480.443 2.348 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc(O)ccc1F 1780907825 FENPNRCSVXWBEY-ATIYNZHBSA-N 494.523 2.452 10 20 JECD O=C(Cc1cccc(F)c1F)N1CC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1783381911 QRFUIUNHBDAZCD-RUZDIDTESA-N 482.487 2.130 10 20 JECD COc1ccc([C@@H](C)C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785503599 MDPFNEMXBSGZIZ-QLPSHKTMSA-N 482.533 2.459 10 20 JECD Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785509490 QJWBQODKCCJYRN-PMDNVAFQSA-N 452.507 2.198 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)C(=O)Nc3cccnc3)cc2)CCC1 1789609426 MSTBBHQGAGEQTO-UHFFFAOYSA-N 483.575 2.015 10 20 JECD CCN(CC)C[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1790602346 UDOVUKKZEQNYSK-PYWIUJKZSA-N 467.994 2.322 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2cc(Cl)ccc12 1798174306 JWRAKDBMRYHSTP-CLLJXQQHSA-N 477.999 2.328 10 20 JECD Cc1cnc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cn1 1805556780 XMHWNZBIYBTMKF-DPLQINJDSA-N 475.505 2.330 10 20 JECD Cc1cccn2ncc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c12 1808001692 VVCABXAEOHVLKE-SBUREZEXSA-N 472.505 2.477 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1nccc2[nH]ccc12 1808087392 RSZHSOWUEMQEMJ-OYHNWAKOSA-N 458.478 2.398 10 20 JECD Nc1nc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cs1 1808467717 JQDRHLPGPPFEHZ-KKSFZXQISA-N 489.561 2.233 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1nc2ccccc2o1 1812095404 RQKNCWOGUABVCW-QRWLVFNGSA-N 495.586 2.403 10 20 JECD CCCC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814163688 IFGSPPCQNANMDI-VZILNKSASA-N 496.564 2.222 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)nc1 1814184725 DSTGKSJPYVJFTL-FDDCHVKYSA-N 497.646 2.284 10 20 JECD Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)o1 1814184997 KCBDTXZACMYTOC-BEFAXECRSA-N 458.565 2.163 10 20 JECD Cc1c(F)ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1N 1815245278 NPPSSRVXGKOVSL-SNVBAGLBSA-N 493.611 2.259 10 20 JECD O=C(/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)NCc1ccccc1 1817843620 UCMLETCXOVRDKW-JBVUFVISSA-N 490.520 2.394 10 20 JECD COC(=O)C1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)CC1 1822000950 KVQWPCLZSCIPOS-VFADXPBXSA-N 470.482 2.185 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(F)nc2)[nH]n1 1823497206 SLUOCZHJACUFBT-HNNXBMFYSA-N 490.586 2.429 10 20 JECD Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1F 1834985228 DYFRKJLQYFMHMJ-UHFFFAOYSA-N 456.518 2.439 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3CC(F)(F)C3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134687 UTNICQOGWULQGY-UHFFFAOYSA-N 487.551 2.396 10 20 JECD Cc1cnoc1C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838518400 RDOAAZBVEGOGRN-HWKANZROSA-N 471.510 2.425 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)[C@@H]3CCOC3)CC2)CC1 1838688601 OPWBBPVQPDEKRQ-CQSZACIVSA-N 452.935 2.400 10 20 JECD Cc1scc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1C 1840880284 HJRJECMOEODJTE-JIBKAZCMSA-N 488.562 2.265 10 20 JECD Cn1ccc(N(CCC(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)Cc2ccccc2)n1 1843250692 DPQIJJPEEUFAHW-UHFFFAOYSA-N 490.564 2.140 10 20 JECD O=C(c1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039502 WZKFKHRVHLCSMC-XVNBXDOJSA-N 479.449 2.118 10 20 JECD CC(C)(C)OC(=O)N1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2ccccc2C1 728003744 AUUYJNXTJYAHGO-UHFFFAOYSA-N 458.540 2.268 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)ccc21 728762433 JYJMKFSFYGDGBR-UHFFFAOYSA-N 483.546 2.260 10 20 JECD COC(=O)CN1CCN(c2ccc(NC(=O)NCc3ccc(N4CCOCC4)cc3)cc2)CC1 729043764 GZHLCQKXUZFHKQ-UHFFFAOYSA-N 467.570 2.140 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H](c3ccccc3)N3CCCCC3=O)nc12 731253319 HOTUGRUQQDPRNX-FQEVSTJZSA-N 452.467 2.409 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 743100135 NHIXXXDLWCNKBE-CQSZACIVSA-N 479.555 2.381 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CCC(=O)N3CCC(c4ccccc4)=N3)CC2)cc1 780137067 BLQIHFMWQPJHMA-UHFFFAOYSA-N 478.549 2.304 10 20 JECD Cc1ccc2ncc(C(=O)OCC(=O)c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)c(=O)n2c1 912872458 CNWRPYGASXJPPJ-UHFFFAOYSA-N 494.529 2.098 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@H]1CN(Cc2ccccc2)CCO1 918179052 OEJAUENOCZRMAH-QFIPXVFZSA-N 456.562 2.487 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(N4CCNC4=O)cc3)cc2F)C[C@@H](C)O1 919051122 WFUSSWYBFBODHP-CALCHBBNSA-N 484.528 2.442 10 20 JECD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)c2C)c1 919067250 CZZYKAWROIMUQB-UHFFFAOYSA-N 460.490 2.388 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1)c1ccc(N2CCOCC2)cc1 920924440 AREISRLVAINUFH-HXUWFJFHSA-N 465.598 2.087 10 20 JECD COCCN1C(=O)/C(=C\Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)C(=O)NC1=S 920978770 QQPMBSCIMHHJLR-AQTBWJFISA-N 488.591 2.290 10 20 JECD Cc1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1778324083 RPQPWWBYUHJAKE-ATIYNZHBSA-N 475.549 2.310 10 20 JECD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c2cc(O)ccc2n1 1778943557 CJGJGPACWZQFKE-QFQXNSOFSA-N 492.532 2.496 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1778947326 UPZKRFKBHSBYEA-OAQYLSRUSA-N 492.319 2.205 10 20 JECD O=C(CCCCn1cccc1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1779485930 OYAMENBCVJEHJG-NTKDMRAZSA-N 456.543 2.292 10 20 JECD Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1779684670 YNIHBMLNUTVCBP-XMMPIXPASA-N 497.939 2.304 10 20 JECD COC(=O)c1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)s1 1782007994 RASDOGLXYWFLSJ-QFIPXVFZSA-N 494.953 2.286 10 20 JECD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)[S@](=O)c1ccccc1 1782684347 DCQWKZWALZJQSV-KTKXRIKSSA-N 492.981 2.391 10 20 JECD O=C(Cn1cnc2ccccc21)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1783749845 DKJMNPVEWUIGET-HSZRJFAPSA-N 470.913 2.245 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)[C@H]1CCc2ccoc2C1 1784230443 JCCZJUFRWFUDAC-RSKVWTTASA-N 490.560 2.157 10 20 JECD Cc1cccc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785509200 OYYPXDYAAQGZPJ-VQEXNLMWSA-N 452.507 2.198 10 20 JECD O=C(Cn1ccnn1)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1788290860 DTSBHHSOASXXRK-UHFFFAOYSA-N 457.494 2.205 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)nc2nccn12 1790407559 LTXISQFVVGNZTP-RFUYNDQBSA-N 485.928 2.009 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCn3cccc3)C[C@@H]21 1792221395 VUVHQFJAGNLZNA-IOKJFNJESA-N 469.538 2.078 10 20 JECD COc1ccc([C@@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1 1792937006 CNVUPZPFHHEYQL-MXASKKJJSA-N 461.609 2.297 10 20 JECD O=C(/C=C/c1ccsc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1794173120 ISDJIJOIWJJDBX-MMXJWNFTSA-N 464.547 2.144 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(n1)NC(=O)CC2 1796569037 LDUBEJGMOBPNQK-MAPVUQOSSA-N 478.505 2.048 10 20 JECD CCC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1798418297 MRMBRQARNQORLY-XMTFNYHQSA-N 489.569 2.151 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cccc(-c2cnco2)c1 1799645832 NNMOPSPBGFVYRI-NXKWYNOOSA-N 499.527 2.338 10 20 JECD CN(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2)c1ccc(Cl)cc1 1801397874 PHGLBYIOGZVZEG-CLWJZODNSA-N 495.070 2.441 10 20 JECD COc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)c(OC)c1 1801544300 PRIBLDMGDSTHMK-BCDXTJNWSA-N 455.511 2.395 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(C(F)(F)F)n1)C2 1802080256 JMVJAXGUTOUZCF-AATIHZDLSA-N 499.467 2.195 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1ccc(O)nn1 1805276028 QEPYIKLOHKMGAF-DJJJIMSYSA-N 469.885 2.275 10 20 JECD COc1cnc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(F)c1 1807990969 LNSSHXILHVWUDZ-LHSJRXKWSA-N 467.457 2.064 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807994038 MQKZQGGMJZRGDU-GIMINZRKSA-N 462.510 2.103 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2ncncc2c1 1809916812 KKMWFTDERZKPLO-SBUREZEXSA-N 470.489 2.464 10 20 JECD COC(=O)c1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)c([N+](=O)[O-])c1 1810553993 CBIRLIOTHFBLLH-UHFFFAOYSA-N 498.492 2.346 10 20 JECD CC(C)n1nccc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1810895483 ZXCKGTZFBNDBLA-OXJNMPFZSA-N 486.623 2.039 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cnoc2C2CC2)[C@@H]1c1cccnc1 1814186119 LQOVYALSXSPBQG-HNAYVOBHSA-N 485.591 2.127 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cc(O)ccc2F)[C@@H]1c1cccnc1 1814190287 WBYZVUSIFPMCEE-JLTOFOAXSA-N 488.566 2.106 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccnc3ncccc13)CC2)c1cc(O)nc(O)c1 1816728238 BWCDLOZZIKWZST-LBPRGKRZSA-N 462.491 2.432 10 20 JECD Cn1c(=O)n(C)c2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)ccc21 1817845526 OABBVZFEADPNPO-MRXNPFEDSA-N 491.508 2.026 10 20 JECD Cn1c(=O)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)nc2ccccc21 1827427233 IMVKADILDSUDGX-IBGZPJMESA-N 491.548 2.287 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ncccn3n2)CC1 1828181401 OHWOBAXSVGQREA-IWHGQQBYSA-N 492.536 2.188 10 20 JECD CC(C)(C)OC(=O)NCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1828280420 VBBONBPEFKNJKU-CYBMUJFWSA-N 491.570 2.480 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCc3nc[nH]c3C2)CC1 1832125680 HRRSMNRIMYJFSP-OXJNMPFZSA-N 453.543 2.254 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccsc1)CCO2 1833968316 XJVJGDVBUCPCQF-FQEVSTJZSA-N 452.916 2.197 10 20 JECD Cc1ncccc1C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1834145071 JTAIQEUGBRGQBF-UHFFFAOYSA-N 488.592 2.368 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCCSC3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134027 WLMYITIXXWDAAS-IBGZPJMESA-N 497.665 2.494 10 20 JECD Cc1cc(/C=C/C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)no1 1838029680 ANRIBDOPIXEFMK-NSCUHMNNSA-N 456.499 2.115 10 20 JECD CCC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1839348207 HEWJCIBNONQERP-RUZDIDTESA-N 453.539 2.143 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2cnccn2)C1 1842383161 MOZSFEZOKDVWJI-LJQANCHMSA-N 480.569 2.012 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)CC2)cc1 742917427 WNGFJIJTHIBZPY-UHFFFAOYSA-N 492.667 2.022 10 20 JECD COc1ccc(Br)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 750359722 QPQOFOSBZAEANG-OAHLLOKOSA-N 489.370 2.414 10 20 JECD O=C(CN(CCO)C1CCCCC1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 777653183 SNFLNBIWTFECBW-DEDYPNTBSA-N 491.635 2.360 10 20 JECD Cn1c(=O)n(CC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c2ccccc21 818685746 XXSROULUUVYPDB-UHFFFAOYSA-N 469.453 2.297 10 20 JECD COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)c3cc(C)n(-c4ccccn4)c3C)C2=O)cc1 914908198 YAIONCYNJXIQLF-VWLOTQADSA-N 491.504 2.153 10 20 JECD COc1cc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(C(=O)O)c1OC 917861968 AEEBRWOJZNMRQT-UHFFFAOYSA-N 450.513 2.059 10 20 JECD CC(C)NS(=O)(=O)c1cccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 918006766 NBQLXBLJHNRHMB-HXUWFJFHSA-N 487.626 2.074 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(C(=O)c4cccn4C)CC3)cc2F)C[C@@H](C)O1 918223265 YYDBQCPZFSOJSZ-QZTJIDSGSA-N 457.550 2.445 10 20 JECD CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 918284459 HHRPMNSCRGNFAU-UXBLZVDNSA-N 455.486 2.494 10 20 JECD Cn1cnnc1C1CCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 919784757 SYCPATCZCFEURX-UHFFFAOYSA-N 479.564 2.160 10 20 JECD COc1cc(NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)c(OC)cc1Cl 920635583 IMBUAEVUUVMDSJ-UHFFFAOYSA-N 458.876 2.230 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCCN(C(=O)c4ccccc4)C3)cc2)C1 1318299127 YNBVXISIIDKYQR-FCHUYYIVSA-N 463.582 2.492 10 20 JECD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)N1C[C@H]2C[C@H]2C1 1781122146 PSJHRQXEPZFBPB-YPAJOZIUSA-N 477.989 2.219 10 20 JECD COc1cc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c(F)c1 1781709269 QDKLBCDLHBGMAE-ISTCRNMPSA-N 490.459 2.247 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)Cn2cncn2)CCO3)cc1 1781752949 DMRPMINNMRFOKN-BCHFMIIMSA-N 476.581 2.465 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cnc(C(F)(F)F)cn1)CCO2 1782003028 ZSJAZNSHTBWJEC-IBGZPJMESA-N 486.834 2.317 10 20 JECD CC(C)N1CCC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1782765089 CRUKJSPIBHBGOM-QHWMMSMNSA-N 495.624 2.166 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)C1CCC(C(F)(F)F)CC1 1784867171 URZWDMCUZYYRGT-OTVRASKASA-N 471.476 2.455 10 20 JECD O=C(Cc1ccc(F)cc1Cl)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1784926590 FZHJRBNHHUFFND-OWQGQXMQSA-N 463.893 2.121 10 20 JECD Cc1nc(C)c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)s1 1785508805 MEBWDLZCGUIQQL-UKKYDJSUSA-N 459.524 2.034 10 20 JECD Cc1nccc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)n1 1788812342 VSJHPOWCWFPGAN-UHFFFAOYSA-N 455.565 2.393 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)cc(Cl)cc1Cl)C2)c1cc(O)nc(O)c1 1796140610 QICABHKACPZDFB-XGISUXEOSA-N 470.284 2.456 10 20 JECD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)sc1C 1798409250 AVFGWEIQEUNEBD-YWVIFJGQSA-N 451.932 2.342 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc(Cl)c(O)cc1O 1799443751 JJVVFDFYVOBQRS-XGISUXEOSA-N 483.304 2.333 10 20 JECD Cc1ccccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1800613251 LDBKPZNYTUXYNO-VSVJTWGKSA-N 474.561 2.310 10 20 JECD O=C(CCc1ccc(F)nc1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804442324 OKLWFRGSWFCMCW-GAJHUEQPSA-N 465.485 2.374 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3cccnc3n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996553 VGKSEYYPAXZSBF-JTSKRJEESA-N 470.489 2.464 10 20 JECD CCN(C)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1812311038 OTJCRJYHLHGCDE-DRMXPCRNSA-N 476.581 2.221 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)[C@H]1c1cccnc1 1814186070 WUTPKAQPJPIQNQ-MDYRTPRTSA-N 458.609 2.304 10 20 JECD O=C(CN1CCSCC1)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1814415006 WMIKOAIBMBOEIN-HXUWFJFHSA-N 495.609 2.244 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3CCCO3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1815794489 HDBFJKCWQIIBTO-SUMWQHHRSA-N 453.524 2.027 10 20 JECD COc1cccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)n1 1815805031 PCYJTSHVMSHHEA-INIZCTEOSA-N 452.471 2.168 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccn2ccnc12 1819110574 QIQJEIUUNOXQKH-HNNXBMFYSA-N 483.579 2.224 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)N1CSCSC1 1819964245 MPCRAPHBRPZOFL-JQWIXIFHSA-N 481.625 2.218 10 20 JECD COc1ccc2[nH]cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cc(O)nc(O)c3)CC4)c2n1 1821246552 PSBPGRBRNWALPQ-LLVKDONJSA-N 480.506 2.374 10 20 JECD Cn1cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)cn1 1822838676 ABQCOEBKOIPJME-DBWMJRBXSA-N 466.498 2.208 10 20 JECD Cn1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC3)cn1 1826944051 UEVKSJHAFBVNCS-LBPRGKRZSA-N 461.931 2.410 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)C1CC3(CCC3)C1)CC2 1828249938 LOGGXVVOZSURMQ-LBPRGKRZSA-N 464.638 2.496 10 20 JECD Cc1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)on1 1832896465 JDLLYYKAUSQFEJ-KRWDZBQOSA-N 464.613 2.006 10 20 JECD Cn1cc2cc(C(=O)N3CC4(CCCN4C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)ccc2n1 1843442440 LDPMWZPRZDJTCU-UHFFFAOYSA-N 456.506 2.183 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cccc(-c3ccccc3)n2)C1 1843480671 IADOPBMLMBUYJN-UHFFFAOYSA-N 466.588 2.426 10 20 JECD CN(CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Cc1ccco1 15482529 CCASHUFCKYBXTK-VCHYOVAHSA-N 459.549 2.458 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 747549476 QYJVUYSYTFRTDP-UHFFFAOYSA-N 486.569 2.106 10 20 JECD Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 792639574 RIVGLEIHBNBLPF-UHFFFAOYSA-N 458.492 2.351 10 20 JECD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(OC)c1 917832713 GBJMECDYNZSMFX-CVDCTZTESA-N 494.592 2.327 10 20 JECD CCCNC(=O)[C@H]1CN(C(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2ccccc2O1 918297254 OIHFFRFARFXEBD-AUSIDOKSSA-N 481.549 2.220 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)C1 918462646 DWBKAYZLORHGEA-AWEZNQCLSA-N 459.890 2.205 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NC[C@H](O)COc1ccc(F)cc1 919910623 NOELYPFIQVHZTO-FQEVSTJZSA-N 498.534 2.321 10 20 JECD CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC=C1C(=O)N(CC)C(=S)N(CC)C1=O 920978700 FNCWYZRMFVOFPF-UHFFFAOYSA-N 481.644 2.440 10 20 JECD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 1338738963 ZUYHTUVWJJBUCZ-HNNXBMFYSA-N 483.537 2.346 10 20 JECD CCC[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)n1cccc1 1778043989 YUACSIAIQDOJNJ-XLNZFTOWSA-N 456.543 2.463 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc(O)nc1 1780129728 CIPKMFJQLHVKTD-VGOFRKELSA-N 461.902 2.293 10 20 JECD Cc1ccc(OC(C)(C)C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)nc1 1780555562 VTVLQHZTKSJMTR-IQGLISFBSA-N 484.553 2.181 10 20 JECD CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753491 MMXVZJSNQJRDGB-RUZDIDTESA-N 483.638 2.022 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007222 NARKJHGBZMEQHG-DEOSSOPVSA-N 487.940 2.224 10 20 JECD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008176 WOYOIDNEZZFEGY-HJPURHCSSA-N 497.976 2.498 10 20 JECD O=C(C[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1784963426 LGGIYIFLYHPHKS-FJXLLPKBSA-N 452.935 2.304 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)CCc1c[nH]c3ncccc13)CCO2 1785511835 VPDZECSMBLRYBV-QBHGEWLWSA-N 492.532 2.156 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccnc(Cl)c1 1786038132 KJPCDHXSDKVNHA-QRFRQXIXSA-N 481.940 2.121 10 20 JECD CCn1nc(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1787290086 HQUCCGAGPCNOIJ-RFUYNDQBSA-N 462.934 2.183 10 20 JECD Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)cc1 1787539000 CETXOIZRWDKAAL-SSPYTLHUSA-N 474.561 2.310 10 20 JECD COc1ccc2c(CC(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(O)nc(O)c3)c[nH]c2c1 1796601087 UBGSXOBDVRWBHM-BJWYYQGGSA-N 450.495 2.477 10 20 JECD Cc1cc2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)[nH]c2cc1C 1797674411 NPGQOCDTKSQKKR-JDFAWGBMSA-N 492.532 2.213 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ncccc1Br 1798186426 RYMZQJCEFQKPGD-DRXBFXEBSA-N 496.745 2.426 10 20 JECD CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1801896299 FOIGFLJDFMXYJD-NCRMQOBRSA-N 486.569 2.392 10 20 JECD Cc1nc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cs1 1807992774 BHIYPEHIAFITNH-YCRPNKLZSA-N 453.524 2.215 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2c[nH]c3cnccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996191 NIDHJBYXTNSONW-NYHFZMIOSA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998124 ISHLTNQOPMSSMB-HHVKVWJTSA-N 499.527 2.117 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@H]2CCc3ccoc3C2)[C@@H]1c1cccnc1 1814185867 VQZLXQHQOYVRRR-SGXKBVARSA-N 498.630 2.346 10 20 JECD COc1cccc(CC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1814186841 YPPKJPBXXJPVSW-FDDCHVKYSA-N 498.630 2.199 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)[S@](=O)c1ccccc1 1816728969 OVDFPQMILIUIFT-KUYVIYAPSA-N 486.575 2.371 10 20 JECD Cc1ocnc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1820847870 ZBQQIUFRWPDQEP-CYBMUJFWSA-N 464.507 2.458 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccccc1-n1nccn1 1821205977 JDFVTGXJELQTKI-GOSISDBHSA-N 474.481 2.416 10 20 JECD CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715144 NGDAPBONHQJRJO-GOTSBHOMSA-N 465.598 2.493 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3csc(-c4ccccc4)n3)C2)C1 1836418304 MRAJPGSRDCINCN-XMMPIXPASA-N 496.545 2.000 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)CC1 1838111741 MBPIDUXNJYFVNF-AKFKNWHVSA-N 494.592 2.345 10 20 JECD C[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CC1 1840881516 DYUGIHUSROYNDX-IEJRPWEOSA-N 474.554 2.099 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)[C@H](O)C(C)(C)C)C1 1841314080 NCKGUEFMDLKXNF-UXHICEINSA-N 488.629 2.315 10 20 JECD Cc1c(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)ccc2c1OCCO2 1843441562 IEHJGVVTRFFIDV-UHFFFAOYSA-N 474.517 2.376 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)[C@@H]2CCc3cccc(Cl)c32)C1 1845868228 REHGGALQMQNFSM-CQSZACIVSA-N 464.012 2.434 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)C1 1846985875 QFXXJSMORXVOOI-JOCQHMNTSA-N 463.547 2.419 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 1847612763 USGGPRFKSUJHAA-OQUILHJVSA-N 465.547 2.130 10 20 JECD CC(=O)N1CCN(c2ccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2[N+](=O)[O-])CC1 16134432 ASCSONLNKVTCFH-UHFFFAOYSA-N 481.553 2.372 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)Nc3ccccc3N3CCOC3=O)nnc2n1 110341442 FJMBRRXSGOPWQE-UHFFFAOYSA-N 457.520 2.070 10 20 JECD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccc(N3CCCCC3)cc2)c1 116034476 QFXXZQHIIKTKGR-UHFFFAOYSA-N 458.584 2.091 10 20 JECD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1 215813919 NIPHANWCXYNVJF-DEOSSOPVSA-N 476.577 2.332 10 20 JECD O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 731054688 KJECPRVYMYNNAK-MRXNPFEDSA-N 460.512 2.315 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CC2)cc1 742920604 KYSOPZIUVCXWKK-UHFFFAOYSA-N 450.499 2.341 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)cc2F)C[C@@H](C)O1 917712155 HQBCZFTXHUCKJB-ZCCHDVMBSA-N 471.508 2.315 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 919812187 OKBQYQMYSHFZBL-UHFFFAOYSA-N 471.457 2.381 10 20 JECD C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(N2CCOCC2)cc1 920865488 FTFYOPIHEKONOJ-INIZCTEOSA-N 465.597 2.003 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1781637707 QHRULIXUJGTHMU-NRFANRHFSA-N 450.850 2.353 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]32)cc1 1790126089 RDDQJSASLGGMAB-IQZMFCRQSA-N 497.592 2.303 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1791656005 XEPMXVCDUCEZPD-BAGFXWCHSA-N 475.929 2.207 10 20 JECD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cn1 1794049546 PYPKBEBICQGNSU-UPHUGPLXSA-N 459.930 2.291 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cnccc1C(F)(F)F 1794720400 AIDZLQRQVMMCFE-IEEJQYOHSA-N 493.438 2.134 10 20 JECD CC1=NN(c2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(O)nc(O)c3)C4)cc2)C(=O)C1 1799731417 DPCMGGAWGRXBHU-GGPHIMKMSA-N 463.494 2.171 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2c[nH]c3nccc-3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993430 KQJONSDVZGIOHI-HRAATJIYSA-N 458.478 2.349 10 20 JECD CCN(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808469167 IQSXJIGEJUWZGT-DRMXPCRNSA-N 476.581 2.221 10 20 JECD Cn1ncc2c(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)cccc21 1809437043 WASIQXNCKLDEEM-QMHKHESXSA-N 472.505 2.408 10 20 JECD O=C(Cc1ccc(O)cn1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813501180 WBFKEEYMAXEGBK-BCHFMIIMSA-N 498.543 2.224 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc2nonc2c1 1818552791 CLFZEMADVGDORP-OAHLLOKOSA-N 485.551 2.112 10 20 JECD Cc1cnn([C@H](C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c1 1823500970 KWJRRDMJWYOYMJ-UKRRQHHQSA-N 475.600 2.028 10 20 JECD Cc1nn(C)c(C)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1824695270 DKLSGWFFKQAVAN-QGZVFWFLSA-N 477.656 2.131 10 20 JECD Cc1onc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1C 1824753623 PMTNRQDLUMFFDE-MRXNPFEDSA-N 464.613 2.385 10 20 JECD Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)nc1 1826076556 FYAXHHDPXQDVDO-GOSISDBHSA-N 460.625 2.484 10 20 JECD O=C(CCCn1cccc1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1826933749 QSSCFZLNXPQFJG-ZDUSSCGKSA-N 477.637 2.197 10 20 JECD N=C(N)SCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715944 WFRDQGXDCSGQTC-LJQANCHMSA-N 470.599 2.026 10 20 JECD Cc1n[nH]c(C)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901888 VLLFFRJVDYOVOS-MRXNPFEDSA-N 463.629 2.120 10 20 JECD CC[C@H](C)[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1834687248 MOBCRJRKKQBBIG-XOBRGWDASA-N 467.010 2.310 10 20 JECD CC(C)(C)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)s1 1836418300 MIHLDSWXEMSPDH-QHCPKHFHSA-N 475.567 2.236 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1836618332 WLAAQIBSBHLBEV-LJQANCHMSA-N 481.977 2.278 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3[nH]ccc3n1)CCO2 1836909681 IHNOOIPXIJNACP-QHCPKHFHSA-N 486.912 2.011 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc[nH]c4nccc3-4)CC2)CC1 1838031525 LNDHLRVRSMLVNY-UHFFFAOYSA-N 465.510 2.247 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](O)CC3)CC2)CC1 1838797072 IRBZFOCTTGFZJY-WGWRSDEUSA-N 488.581 2.366 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ccoc3c1)CCO2 1839537559 OQGVLMANMRWPCN-CKUSHTOWSA-N 494.500 2.333 10 20 JECD Cc1ccn2ncc(C(=O)N3CCCC34CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)c2c1 1843305992 AXJFSUHFUDGRIX-UHFFFAOYSA-N 456.506 2.253 10 20 JECD CCc1nc2ccc(Cl)cn2c1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1843312273 ZYDJHSZIUYAWBI-UHFFFAOYSA-N 492.026 2.227 10 20 JECD CS(=O)(=O)c1ccc(/C=C2/SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 726628625 ZRQKFJBXBIFVDB-MHWRWJLKSA-N 468.603 2.139 10 20 JECD Cc1cc(S(N)(=O)=O)sc1C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 746619710 GUTMEKVQVJXFOE-UHFFFAOYSA-N 484.511 2.275 10 20 JECD CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)OC 747880259 DGSHEUYBYXULFD-CWTRNNRKSA-N 482.445 2.231 10 20 JECD COc1ccc(N2CCCN(C(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)CC2)cc1 751351454 XSVYRBSHRKMANE-UHFFFAOYSA-N 457.596 2.278 10 20 JECD CCOc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(N(C)C)c(F)c2)cc1OCC 751385902 BHAFRSTUVXSIAT-UHFFFAOYSA-N 453.536 2.284 10 20 JECD Cc1cccc(C(=O)N2CCCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)c1 917046959 YMPIFJPEXTXQNH-UHFFFAOYSA-N 468.573 2.435 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3ccc(F)cc3)cc2F)C[C@H](C)O1 918974191 XTVBEOLDXFUKOS-HOTGVXAUSA-N 475.492 2.168 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cc4cc(OC)c(OC)c(OC)c4[nH]3)nc12 919100830 SRGFXFLPQPYYKH-UHFFFAOYSA-N 470.438 2.476 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)Nc2cc3c(cc2Cl)OCCCO3)c1 920635658 JNHMXRHITPKKIK-UHFFFAOYSA-N 470.887 2.374 10 20 JECD Cc1noc(C)c1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778126360 TVTRELZUVYPZKT-ATIYNZHBSA-N 493.564 2.141 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccncc1F 1778379864 UUSWPKPJEAYFET-PXDATVDWSA-N 479.512 2.141 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccccc1)C2 1783246372 RNCUHAHTXWDKCI-PWISXXLXSA-N 473.620 2.074 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(F)CCCC=C3F)C2)C1 1785703035 UDXBMTRQVSPPMW-RNAPPNBMSA-N 464.465 2.392 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3CCCCO3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242905 BMESBHUMMMCOGL-FJXLLPKBSA-N 452.935 2.304 10 20 JECD CC(C)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1)C(C)C 1790243300 DWHIOMFAYLQHAR-QHERXFFYSA-N 467.994 2.367 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796602874 WMKIIXYOUSEUSC-OWLYRPNTSA-N 474.558 2.392 10 20 JECD COc1ccnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)c1OC 1796933149 UEQIIHUCDLOZFB-VBUUOAMHSA-N 477.521 2.144 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccc2c(c1)OCO2 1796934188 BRDRTWGMMARDRC-GGPHIMKMSA-N 460.490 2.460 10 20 JECD Cc1noc(C)c1CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804603239 CZRDXWNMXVXWMW-GAJHUEQPSA-N 465.510 2.445 10 20 JECD O=C(CCN1CCCCC1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1806653319 XPVNMNUGLHDFRN-FDDCHVKYSA-N 453.543 2.083 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccn(C(F)F)n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995222 NDQYIIKINPPLRT-UGSOOPFHSA-N 458.425 2.113 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2CCC3(CC2)OCCO3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807997607 BKHXOQJJVOGAMG-XMSQKQJNSA-N 482.537 2.141 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1cnc(O)[nH]1 1810951555 QKZPFQPEBTUNBY-SJCJKPOMSA-N 457.874 2.208 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2sccc2F)[C@@H]1c1cccnc1 1814184981 JUGDWKSVDGQTSG-CXAGYDPISA-N 478.596 2.462 10 20 JECD Cc1nc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)no1 1815874269 KDSVERZXNMRLHR-VFADXPBXSA-N 468.470 2.166 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1c[nH]c3cnccc13)CC2)c1cc(O)nc(O)c1 1816725388 IANHWSFQHNCBFD-NSHDSACASA-N 450.480 2.365 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cncc3cnccc13)CC2)c1cc(O)nc(O)c1 1816727298 MKZCOSGJIZMTIP-ZDUSSCGKSA-N 462.491 2.432 10 20 JECD CS(=O)(=O)c1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cc1 1817115373 ZTDZQOPQGMMMPT-GOSISDBHSA-N 499.549 2.168 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc4cccn4cn3)sc2C1)c1cc(O)nc(O)c1 1818578605 YQDGWALEOHSRAX-LBPRGKRZSA-N 450.480 2.137 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)C(F)(F)c3ccco3)sc2C1 1824635152 COOYGQJLZLVFCX-SECBINFHSA-N 486.547 2.300 10 20 JECD Cn1ccnc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1826090253 HXVJCTJQFCLASC-JHTBKMLMSA-N 454.527 2.484 10 20 JECD CC[C@H](NC(N)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1827568212 PEPGSUBSHIXDGL-DLBZAZTESA-N 466.966 2.431 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(N2CCC(NC(=O)C3(c4ccccc4)CC3)CC2)CC1 1833091585 QCSPLOJORNJQST-UHFFFAOYSA-N 464.566 2.410 10 20 JECD COc1cncc(CCC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1837153609 MRZUSWCNFMPIBF-UHFFFAOYSA-N 484.553 2.141 10 20 JECD Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837744921 SWIQUEDEOIBHLR-UHFFFAOYSA-N 469.538 2.492 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1F 1840881210 IMVUMJZFJBRJHF-PIITYICYSA-N 486.496 2.034 10 20 JECD CC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1842654276 HIGPZTIYVPBMDH-SFHVURJKSA-N 489.569 2.106 10 20 JECD O=C([C@@H]1C[C@H](F)CN1C(=O)OCc1ccccc1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250592 OUHFLTQHBGUTDP-OALUTQOASA-N 498.511 2.059 10 20 JECD COC(=O)C12CCC(C(=O)N3CCCC34CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)(CC1)CC2 1843942130 FXNGTFJFSSLACV-UHFFFAOYSA-N 492.576 2.496 10 20 JECD CC1=NN(c2ccc(C(=O)N3CC4(CCCN4C(=O)/C=C/c4ccc(O)c(O)c4O)C3)cc2)C(=O)C1 1847038640 XFADAUIIEAOXRX-UXBLZVDNSA-N 490.516 2.446 10 20 JECD O=C1Cc2ccccc2C(=O)N1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c(O)c(Cl)c1 1847612900 XRQJKSHLTWASOG-OALUTQOASA-N 497.935 2.182 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)cc1 726721537 WBWGZFQEWUTQGI-UHFFFAOYSA-N 451.531 2.423 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CCCN(C)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 742927045 FPQNXURHMOJJIX-UHFFFAOYSA-N 492.617 2.173 10 20 JECD COc1ccc2c(c1)OC[C@@H](C(=O)OCC(=O)NCc1ccc(N3CCOCC3)c(F)c1)C2 747526802 DCCDCSOJGFZCBI-SFHVURJKSA-N 458.486 2.082 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)cc2)C1 751098018 NEUCGQNCKZQYMV-HNNXBMFYSA-N 473.459 2.313 10 20 JECD NC(=O)C1CCN(C(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CC1 914069943 KSAMFGJCPREXEZ-ZROIWOOFSA-N 468.398 2.374 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cc(Br)cn3)cc2F)C[C@@H](C)O1 917316775 WWDLYMUDXROJFQ-OKILXGFUSA-N 483.338 2.258 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@]3(N4CCOCC4)CCSC3)cc2F)C[C@@H](C)O1 918214955 QVWGPLFVGVPYOB-PNCHPQGNSA-N 466.623 2.446 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 918442862 UXFKSTHAAXXSBG-UHFFFAOYSA-N 464.566 2.386 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)ccc1F)C2)C1=NN(c2ccccc2)C(=O)C1 1778127760 YXLHDSUFEKCESM-ATIYNZHBSA-N 494.523 2.452 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)cc1 1781755151 FULYVKONPQBYQM-VWLOTQADSA-N 462.554 2.219 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)COc4cccnn4)CCO3)C2)cc1 1781755375 JMGZQQMCNAHRDB-AREMUKBSSA-N 475.549 2.407 10 20 JECD CCc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)no1 1783221904 RYCSDMZVSMHMGC-YGBPNOIISA-N 471.510 2.195 10 20 JECD CC(C)[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1)c1ccccc1 1785539794 PFWKHMWSWSNKHC-NFBKMPQASA-N 475.636 2.116 10 20 JECD C[C@H](C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1)n1ccnc1 1786235401 BJCQCDHULCHYOB-CQSZACIVSA-N 457.581 2.439 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)nc1 1787537225 GJEFRKRFZVWUDH-APTRMMRNSA-N 489.576 2.095 10 20 JECD O=C(NC1(c2ccc(NC(=O)c3cccn4c(O)nnc34)cc2)CCC1)c1cc(O)nc(O)c1 1788517428 SKQDYWMHJQEGQS-UHFFFAOYSA-N 460.450 2.303 10 20 JECD O=C(NC1(c2ccc(NC(=O)[C@H](O)N3CCOCC3)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1789557326 QJMYHNYULQVBPE-QFIPXVFZSA-N 475.929 2.150 10 20 JECD CC(C)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)CC1 1793799548 BNFMJIUNMNTBDH-XEMDLRDOSA-N 465.978 2.075 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)nc1 1795174727 HBEXWMKXGSCHNK-CLLJXQQHSA-N 472.514 2.213 10 20 JECD O=C(Cc1cc(F)cc(F)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1795842592 QEAXJUBMGUXACL-VTEUUUEMSA-N 466.868 2.475 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)no1 1798888251 MFVCDWHSOXKODJ-FCGDIQPGSA-N 499.568 2.350 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncccc3c1)C2 1802078815 JNMXIAVKBQVCPB-GNDMWVOPSA-N 489.528 2.197 10 20 JECD O=C(CNC(=O)c1ccco1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1807593400 JPZZYVHPNUFQTF-YCRPNKLZSA-N 498.923 2.489 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2cnccn2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468886 GFAXOEZIMYQLIX-GWESGUAXSA-N 495.543 2.384 10 20 JECD COc1ccc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)nn1 1811211529 UCLTUOLZHBPEGA-IAFYEELYSA-N 491.504 2.030 10 20 JECD O=C(O)CSCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811808415 AKQXCJPPFPIPFE-ORAYPTAESA-N 479.942 2.284 10 20 JECD Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)o1 1813513564 LHWZTELNVSORRH-KKSFZXQISA-N 472.592 2.092 10 20 JECD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)no1 1814165261 DHWAVIYYKKQCPK-WXYAUJHGSA-N 478.505 2.457 10 20 JECD CC(C)[C@@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1814945114 XJLLZMCVWKUHEZ-GHTZIAJQSA-N 452.515 2.212 10 20 JECD O=C(C[C@@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815609548 NNDGKMAHHBHCIE-ZFWWWQNUSA-N 465.601 2.221 10 20 JECD COc1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c(F)c1 1816721657 NSGYSNZBKFWULK-SNVBAGLBSA-N 459.459 2.032 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)Cc2ccccc2)[nH]n1)c1cc(O)nc(O)c1 1817847175 NEOAFJDBYIATER-ZWKOTPCHSA-N 451.483 2.125 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCCCO2)CC1 1823823553 BTTZNKGSZMWZIA-DLBZAZTESA-N 453.630 2.036 10 20 JECD CN(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)nc1 1825598304 AWALUNOHQSJNEA-IBGZPJMESA-N 489.667 2.241 10 20 JECD CCc1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)s1 1828244843 SXHQIWPAFFJCJC-VIFPVBQESA-N 481.650 2.248 10 20 JECD Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1F 1830107437 RBVYUTZCXANYBO-VQEXNLMWSA-N 486.496 2.034 10 20 JECD CCOC(=O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832885606 RWQXODKPXLUKCB-INIZCTEOSA-N 483.656 2.056 10 20 JECD O=C(Cc1ccc(F)cn1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898287 JKKOLSSGWJQVII-GOSISDBHSA-N 478.615 2.243 10 20 JECD COc1nccnc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833972714 DNKZFLHNIRZDGZ-UHFFFAOYSA-N 489.960 2.049 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/C1CCCCC1)CCO2 1839184012 NEGPOXSTUDPFDL-MLUZAMDXSA-N 486.565 2.410 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)n4cncn4)C3)C2)cc1 1839349293 NFJZVRJLFWTBBE-RLWLMLJZSA-N 492.580 2.017 10 20 JECD CC(C)(C)CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1839986236 IZPXLFVDCIWECK-QHCPKHFHSA-N 499.699 2.300 10 20 JECD Cn1ncc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1C(F)(F)F 1842162999 LBXCGNOZQKJRKM-GQCTYLIASA-N 466.416 2.086 10 20 JECD COc1ncc(Cl)cc1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843440784 LDMAXECOJFKEOM-UHFFFAOYSA-N 467.913 2.354 10 20 JECD Cc1nc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2=NN(c3ccccc3)C(=O)C2)c(C)s1 1848255943 KLOIVLVAWWNKME-PMACEKPBSA-N 451.552 2.297 10 20 JECD O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)Nc1cccc2c1C(=O)c1ccccc1C2=O 10914796 CUPZOMRLFJVDJB-UHFFFAOYSA-N 467.437 2.423 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1sccc1S(=O)(=O)N1CCCC1 105787051 SQVXGQWFBNAKFV-UHFFFAOYSA-N 465.597 2.414 10 20 JECD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 747991229 FZPLSUMZFCLONU-OAQYLSRUSA-N 493.608 2.337 10 20 JECD Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C)n1-c1ccc(C(C)C)cc1 750584139 AYOQERYCNYREKR-PKTZIBPZSA-N 459.612 2.445 10 20 JECD COC(=O)CCNC(=O)c1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 916673332 BBZYXLSGUXOYDS-UHFFFAOYSA-N 472.517 2.401 10 20 JECD COc1cc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc(C(=O)O)c1OC 917734743 CKCQYDNSWIWEJI-UHFFFAOYSA-N 464.905 2.228 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)cc2)C1 917835847 FOFHQGLDCUXKRM-QUCCMNQESA-N 490.651 2.309 10 20 JECD CSc1nnnn1-c1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 918035251 GDVAUZFINISUAK-MRXNPFEDSA-N 466.571 2.408 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCC(=O)c3ccc4c(c3)OCCO4)cc2)C1 918673825 SBLZZZYABYUTEQ-IBGZPJMESA-N 451.523 2.439 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)nc12 918974703 BBQKDKWLBHNNQC-LBPRGKRZSA-N 458.858 2.361 10 20 JECD CCO[C@@H]1C[C@H]1C(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 919427614 OVNWFOVNXBXANA-FYYLOGMGSA-N 490.578 2.266 10 20 JECD Cc1cc(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 919520831 HLDFPGYBPJCWGG-UHFFFAOYSA-N 455.964 2.302 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(N4CCNC4=O)c(C)c3)CC2)cc1 920597988 DRPTXQNELRIXHN-UHFFFAOYSA-N 452.511 2.039 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1115895735 RBIAQYOYHHBXED-HXUWFJFHSA-N 452.555 2.270 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc2cnccc2c1 1778606696 CXUAASWAEMXXGQ-CJFMBICVSA-N 462.506 2.482 10 20 JECD Cn1nc2c(c1C(=O)NC[C@@]13CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C3)CCC2 1781369786 YWOQOFFZPBHAID-NTKDMRAZSA-N 488.972 2.415 10 20 JECD Cn1ncc(Br)c1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005563 NPUPVNYJEIEGGX-LJQANCHMSA-N 499.749 2.005 10 20 JECD COc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1C 1787541557 UJTULHXPNUGDKA-XZOYJPPVSA-N 490.560 2.390 10 20 JECD O=C(Nc1ccc(C2(NC(=O)c3c[nH]c(=O)cn3)CCC2)cc1)C1=NN(c2ccccc2)C(=O)C1 1788673832 LEYPBQGMLDUTRP-UHFFFAOYSA-N 470.489 2.311 10 20 JECD CC(C)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccccn1 1791487462 LKXCYKBPZRAPJJ-RLTIEFLZSA-N 481.549 2.169 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccn2cncc12)C1=NN(c2ccccc2)C(=O)C1 1798186840 CMILINSZRRKGFO-GGPHIMKMSA-N 456.506 2.379 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1n[nH]c(C2CC2)c1F 1805123418 BZGSYPKSQHOBBA-LHSJRXKWSA-N 466.473 2.261 10 20 JECD CCn1ccc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n1 1805900042 HPWWLIOSDAFOEW-YADARESESA-N 485.548 2.411 10 20 JECD CC[C@@H](C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1)N(CC)CC 1806175168 GONPVSQGLTVNIV-KRWDZBQOSA-N 468.689 2.198 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(C(F)F)no1 1807722349 ZJUOSWWZGAIMHY-KZULUSFZSA-N 459.409 2.447 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3n[nH]cc3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993361 ILTAZROQHZIXEX-ZHRRBRCNSA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(-n3cccn3)nc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995799 UTGUCCLGJOMRSL-SBUREZEXSA-N 485.504 2.102 10 20 JECD CN(C)c1ncc(C(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)o1 1808024783 URKOJZXDEPSHBQ-UHFFFAOYSA-N 478.553 2.378 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc[nH]c2nccc1-2 1808076284 YSLLPUBYHJNGSQ-QVKFZJNVSA-N 458.478 2.349 10 20 JECD CC(C)n1nccc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1810895491 ZXCKGTZFBNDBLA-UZLBHIALSA-N 486.623 2.039 10 20 JECD O=C(CCc1cccc(O)c1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1813184493 KFNUWKUJWGFAQJ-MBSDFSHPSA-N 498.630 2.286 10 20 JECD Cc1ccc(OCC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1814186855 YVMTVRGVHJQESF-MBSDFSHPSA-N 498.630 2.335 10 20 JECD Cc1ccn2ncc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)c2c1 1816726525 ZQRJVHUEZZFSMI-ZDUSSCGKSA-N 464.507 2.445 10 20 JECD CC(=O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362994 FBABRLULSXUAFL-AWEZNQCLSA-N 467.551 2.463 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCCC2=O)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821292705 CYCJJFNJJYKGMK-OAHLLOKOSA-N 461.906 2.403 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCn2ccnn2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821295334 ORXGNYXJVLVVKO-HNNXBMFYSA-N 459.894 2.462 10 20 JECD COc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1F 1827949220 NHTUABSPESLRCW-SNVBAGLBSA-N 494.595 2.377 10 20 JECD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cnc1C 1828239856 JFFUZZGQDGGITO-CYBMUJFWSA-N 475.621 2.241 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cnc3[nH]ncc3c2)CC1 1828520784 TXINTCRUYQEEPZ-GOSISDBHSA-N 450.499 2.311 10 20 JECD CN(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)nc1 1832896810 QOJXNBVTTLAAHR-IBGZPJMESA-N 489.667 2.241 10 20 JECD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(F)c1 1839291603 APFKMKAHCPAEQK-QHCPKHFHSA-N 494.903 2.283 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)cc1 1839348704 HKSHVBNMKNHIBS-HHHXNRCGSA-N 489.576 2.197 10 20 JECD CC(C)(C)n1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)n1 1839431756 LMSOCNFNRHCLKE-QHCPKHFHSA-N 492.960 2.087 10 20 JECD O=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)CN1Cc1ccccc1 1847035339 WSTPLHJPXMEIOC-CSNYQSHPSA-N 491.544 2.069 10 20 JECD C[C@@H]1CN(CCNC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CCO1 725720745 JVJZKAVVWVKEHU-YDRQLGOLSA-N 484.441 2.487 10 20 JECD CS(=O)(=O)NCCN1C(=O)/C(=C\c2cc(Br)c3c(c2)OCCCO3)SC1=S 727177050 VPSTVECHXINVLQ-UKTHLTGXSA-N 493.426 2.361 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3cccc(S(N)(=O)=O)c3)ccc21 728637770 PTXGPMPQTBXGMF-UHFFFAOYSA-N 459.524 2.347 10 20 JECD CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)cc1F 731345951 NMZVVEPJDXOYHZ-UHFFFAOYSA-N 463.531 2.393 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CCCNS(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 742927265 LLBGBGKQDQQDFT-UHFFFAOYSA-N 488.654 2.309 10 20 JECD CC[C@@H]1CO[C@H](C)CN1CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 777653062 QTQXMVGVDLKQCM-STTODAGISA-N 477.608 2.232 10 20 JECD CCOC(=O)N1CCC[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 912877670 QYFCNMIAIQMYPV-KRWDZBQOSA-N 491.566 2.336 10 20 JECD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 914438434 XTFCLVNFIREESS-OVGFGYAMSA-N 499.705 2.061 10 20 JECD Cc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 916673076 YMNJSNVLLWGLCY-HXUWFJFHSA-N 461.588 2.082 10 20 JECD COc1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1OCC(=O)NC(C)C 917836172 JZERRFLCVPMNOW-FQEVSTJZSA-N 482.581 2.230 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 919697962 PNEZCTLLSAHMMT-LJQANCHMSA-N 478.528 2.200 10 20 JECD Cc1ccc(F)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785503293 HFTUAVMOSNSLIR-PTGVWUEVSA-N 456.470 2.408 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnc(O)[nH]4)C[C@@H]32)cc1 1790126705 HQSDAHMGMZDFGG-VCOUNFBDSA-N 463.538 2.430 10 20 JECD Cc1cccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1 1792218878 WAUCTWDKAAQYCK-YIYMGJEGSA-N 466.534 2.347 10 20 JECD O=C(CSC1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1793331865 DPRAYLVGGJRFFA-NXYNRBCBSA-N 462.568 2.082 10 20 JECD COc1ccnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1OC 1799500747 HHEGPDTWCSFZPG-VBUUOAMHSA-N 477.521 2.144 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccc3[nH]1)C2)c1cc(O)c(O)c(Cl)c1 1799768242 OYYMPIMOPOFUOU-DBWKPXFBSA-N 456.886 2.145 10 20 JECD Cc1ccncc1CCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1804556073 TWILXNDXRPKSJD-CVDCTZTESA-N 497.646 2.284 10 20 JECD CCOc1ncccc1C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1804690566 YTBPKVWEYCKWLO-UHFFFAOYSA-N 476.624 2.185 10 20 JECD Cc1c(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cnn1C 1808468092 OCYQGXUGGMVBIA-DVECYGJZSA-N 485.548 2.236 10 20 JECD C[C@@H](NNc1ccccc1)C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810549462 RINXJWLRNVZGSG-QGZVFWFLSA-N 453.543 2.343 10 20 JECD Cc1ocnc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1811073927 JSOKJKRFMLKVBP-MBSDFSHPSA-N 472.505 2.491 10 20 JECD C[C@H](Oc1cccnc1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1813438221 XGZDHSDDJAWVTC-GIMINZRKSA-N 463.494 2.070 10 20 JECD O=C(CCCn1cccc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1813454611 HOYLTMSLYVBGKX-AVRDEDQJSA-N 485.635 2.230 10 20 JECD CCN(C)[C@H](C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814167150 YQTUMZYDGYCBPX-UUHKJXNJSA-N 468.554 2.258 10 20 JECD O=C(Cn1ccccc1=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1817518943 FFUOAHQQIGWJOJ-SYJIQKIWSA-N 479.493 2.094 10 20 JECD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1)N1CCN(C)CC1 1823712267 BJUUHLQQAISILE-OCCSQVGLSA-N 494.017 2.069 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1c[nH]c3cnccc13)CC2 1828244571 KGNAKSKYQSXBST-JTQLQIEISA-N 486.604 2.106 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)CC1 1828451513 IXUJZLGQFKMDOH-LBPRGKRZSA-N 489.554 2.232 10 20 JECD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877145 VSJJVOFJOUIZLN-XZXOBPBMSA-N 499.524 2.241 10 20 JECD Cc1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1835163542 JTABTRUZPKXBNR-XMMPIXPASA-N 490.940 2.209 10 20 JECD Cc1ncc(C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)[nH]1 1841714228 KRSHQVSIUTZDAP-LJQANCHMSA-N 482.585 2.253 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)CCc2cnc[nH]2)C1 1842002174 PHSNASFWIGOTGU-OAQYLSRUSA-N 496.612 2.264 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501777 CBYGGAPKDIBNLX-UHFFFAOYSA-N 453.923 2.481 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2ccccc2[C@H]1O 1847602224 HCSWVEUQVIBSCQ-CYZCJYSNSA-N 464.518 2.314 10 20 JECD O=C(Cn1cc(Br)c(O)nc1=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565213 GXDDPQRLMQNDDJ-UHFFFAOYSA-N 473.274 2.098 10 20 JECD CCOc1ccc(OCC)c(NC(=S)NNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c1 726892991 MJITWPLTNTWXBV-UHFFFAOYSA-N 455.518 2.353 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(NS(C)(=O)=O)cc3F)cc2F)C[C@@H](C)O1 728295138 ZIBHXGJOTGJHLY-OKILXGFUSA-N 489.566 2.428 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccccc3CN3CCSCC3)CC2)cc1 747311741 OKCNDWXIVHKDJC-UHFFFAOYSA-N 497.665 2.121 10 20 JECD Cc1cc(C(=O)COC(=O)CCNS(=O)(=O)c2cccnc2)c(C)n1-c1ccc2c(c1)OCCO2 914614813 KBGUMCZZHARJIB-UHFFFAOYSA-N 499.545 2.355 10 20 JECD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(N(C)C)cc2)o1 915060509 KZRHKUDCGOOCJD-GOSISDBHSA-N 463.556 2.334 10 20 JECD COc1ccc(F)cc1CN1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 916976106 JSFGTAWPQKGJRC-UHFFFAOYSA-N 474.552 2.244 10 20 JECD Cc1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc(S(=O)(=O)N(C)C)c1C 917834409 XNDSGMMKUNWVID-LJQANCHMSA-N 472.611 2.185 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(CNC(N)=O)cc3)cc2F)C[C@@H](C)O1 918985116 VLIPSIMGGLZQQG-HZPDHXFCSA-N 472.517 2.081 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NCc2ccc(OC(F)(F)F)cc2)c1 920637241 CEMYFHIUDAYRDU-UHFFFAOYSA-N 462.402 2.136 10 20 JECD CN1CCC[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1781122134 OWVARNHYPYLKIV-NFHUAXAMSA-N 465.978 2.221 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4sccc4c3O)C2)C1 1782400048 SWABKPYXPQXJEW-QFIPXVFZSA-N 455.492 2.170 10 20 JECD Cc1cc(C)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c1 1783245757 BTWUOILFSGYDIR-WZONZLPQSA-N 475.636 2.291 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3ncccc13)C2 1783247930 IWCSKFUZAGCSGW-NTKDMRAZSA-N 498.630 2.223 10 20 JECD CC(F)(F)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1784640050 WMVIZSQLWUQDMY-JLOAWQKBSA-N 468.497 2.478 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)CCc1cccs1)CCO2 1785508933 OAIIEYFRBDOQRL-ILHLOOHCSA-N 458.536 2.341 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ncc(OC(F)F)cc1Cl 1785680730 MYGYEJVMJCOAQV-XEGUGMAKSA-N 498.870 2.050 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)cc1 1789611465 MKTFGTVTMYPWDG-RRPUWOKSSA-N 460.534 2.381 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)C[C@@H]21 1792239062 JPMNYIKGWWGEIK-OROIIQQLSA-N 493.695 2.433 10 20 JECD Cc1noc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)n1 1795815169 HLXRSBZXLIQUFE-IRJINJETSA-N 463.538 2.231 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(F)CCCC=C1F)C2)C1=NN(c2ccccc2)C(=O)C1 1796482744 VDVZXIOIEZGVHR-MZIBIZNLSA-N 472.492 2.115 10 20 JECD COc1ccc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1 1802079337 BMCBFJULBCPVHK-KWIBEYCFSA-N 468.506 2.037 10 20 JECD CC(C)OCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1802659228 KVTVAKREFVACQN-LFXIQIKPSA-N 455.511 2.343 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccc2occc2c1O 1804336269 MUDFJOAWTLRVKC-CLLJXQQHSA-N 459.549 2.251 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CS[C@@H]2CCCCO2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994254 FFUSQCGQNXEKGQ-KNXBSLHKSA-N 472.567 2.467 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807999486 SYIPQPUYJJFVRA-UQNRQAKVSA-N 461.522 2.481 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)[S@@](=O)c1ccccc1 1808001223 RUEBSIQOVNQZKM-OPYBBVDPSA-N 494.573 2.404 10 20 JECD Cc1cnc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cn1 1808465701 XLFGOAOEVGQNBW-DVECYGJZSA-N 483.532 2.293 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2nonc2c1 1809125367 FVHKHNVYMRZSMV-YCRPNKLZSA-N 460.450 2.057 10 20 JECD CN1CCCC[C@H]1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162479 SRJBUHSLZXKQAG-BAORSSAKSA-N 480.565 2.402 10 20 JECD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)n1cccc1C=O 1817484036 BQWLKPURCXKEKG-CXAGYDPISA-N 452.471 2.397 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2c(c1)OCO2 1817971381 VKLGHDLMNYMPCM-LBPRGKRZSA-N 454.464 2.218 10 20 JECD Cn1cncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146423 HTODYQCUDGJWQO-GOSISDBHSA-N 460.498 2.242 10 20 JECD CCOc1cnc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)cn1 1827426698 ACMKCOPPFAIXOA-SFHVURJKSA-N 455.515 2.229 10 20 JECD C[C@H](Nc1nccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1827661036 XPVKSJUBFPYVBQ-GOEBONIOSA-N 495.696 2.424 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1cccnn1 1835895377 SRKJLOVUMTWSFR-UHFFFAOYSA-N 459.934 2.040 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc4cccnc4[nH]3)CC2)CC1 1838029783 JKURZMGFWKOZLE-UHFFFAOYSA-N 465.510 2.295 10 20 JECD C[C@@H](C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1)n1cccn1 1843331571 KHLRPQRBIZSMRL-GHTZIAJQSA-N 496.612 2.366 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442125 ANGPIZOFGZVTFM-HXUWFJFHSA-N 495.580 2.382 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037644 VDAUMFWZDSEQGT-ZEEWYNHDSA-N 499.564 2.420 10 20 JECD O=C(c1ccc(N2CCCC2)c(F)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056069 SCJWVLCILKQIFH-UHFFFAOYSA-N 476.599 2.103 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1sccc1S(=O)(=O)N1CCSCC1 109396590 WWRZOCYKBLLERC-UHFFFAOYSA-N 497.664 2.367 10 20 JECD COc1ccc(N2CCCN(S(=O)(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)cc1 726793678 MFXWIOXSOLFRFI-UHFFFAOYSA-N 465.597 2.136 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)OC)c3)cs2)c1 727247955 WYFGTYKHPIMGQU-UHFFFAOYSA-N 479.492 2.299 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1 729064034 OEFLLNSBGMHTMU-HNNXBMFYSA-N 491.566 2.400 10 20 JECD CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c2ccccc2O1 731131470 JPKDROQISCFKHD-JOCHJYFZSA-N 450.539 2.079 10 20 JECD CCOC(=O)c1sc2[nH]c(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)nc(=O)c2c1C 824025839 BMJVEDIHYKMFOL-UHFFFAOYSA-N 470.551 2.370 10 20 JECD Cc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n([C@H]2CCS(=O)(=O)C2)n1 916673075 YMNJSNVLLWGLCY-FQEVSTJZSA-N 461.588 2.082 10 20 JECD COc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1N1CCCC1=O 918440519 RRBRNOYPRWWUMQ-UHFFFAOYSA-N 484.528 2.177 10 20 JECD CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 918462987 FQZMAPRPZNZIMB-FQEVSTJZSA-N 479.581 2.029 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CN(C)C(=O)c3ccc(Br)o3)CC2)cc1 919563792 RVQOGEMXJSZKAQ-UHFFFAOYSA-N 494.342 2.015 10 20 JECD O=C(CN1CCCCCCC1=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919701165 MFVRCUAGYRAUHY-UHFFFAOYSA-N 454.550 2.351 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NC[C@H](CO)Cc1ccco1 919783336 STWSHJDLSPOJRY-LJQANCHMSA-N 468.533 2.186 10 20 JECD C[C@H](NS(=O)(=O)c1ccc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 920980689 WEQGUFHHHDQBTO-XSWJXKHESA-N 460.556 2.136 10 20 JECD Cc1cc(F)cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1 1777850482 FEBZZABYHDJYJG-NTKDMRAZSA-N 457.502 2.311 10 20 JECD Cn1nc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c2c1CCC2 1778672977 YFOLWICLMDHPQY-NTKDMRAZSA-N 488.972 2.415 10 20 JECD NC(=O)c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)cc1 1781123404 OOGBMNOHPVQBSA-NTKDMRAZSA-N 487.940 2.291 10 20 JECD CCc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1 1787230312 QVCNAIPBFROMLP-LEDOBFOHSA-N 475.549 2.030 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccccc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539076 KMCXONULWVIYPV-SSPYTLHUSA-N 474.561 2.392 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)cc3F)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540072 AHOGTWDCLCKDPG-OHEPNIRZSA-N 482.487 2.351 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cccc(-c2ccccc2)n1 1787581721 GLBGZLVRGAYAQD-JLMWRMLUSA-N 474.517 2.462 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1nc(Cl)ccc1F 1794234382 KCCFPCCYHLZXIG-CULMDFNYSA-N 470.284 2.456 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-c3ncc[nH]3)cc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796482633 LAMCASLIABZTHZ-IRJINJETSA-N 498.543 2.073 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ncc(C(F)(F)F)cc1Cl 1798243213 OVGNAHPOJHOONZ-CULMDFNYSA-N 486.834 2.077 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1802127736 SKKITISMWTVSGH-FZAJAZDZSA-N 475.542 2.368 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)[C@H](O)c1ccco1 1802530950 WLLWSGJUSYPDQM-HIWNGLJPSA-N 479.489 2.244 10 20 JECD Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c(C)n1 1804340011 FPRZDUSCBUNRQX-BCDXTJNWSA-N 460.625 2.130 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3nc[nH]c3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995576 GLKBXWWACGHXQN-ZHRRBRCNSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2CCC3(CC2)OCCO3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807997603 BKHXOQJJVOGAMG-GCJKJVERSA-N 482.537 2.141 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2ccc3c(c2)CCO3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998572 MHESFUFEMQBMDZ-UQBPGWFLSA-N 474.517 2.385 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998613 NBAJECFMLPWRJL-WAIKUNEKSA-N 495.467 2.497 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)C1 1807999592 VBRMRZYHSCKLQN-FIQUECFISA-N 482.537 2.187 10 20 JECD CCOC(=O)N1CCC(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)CC1 1808001646 PKNUUSDNWZXQFE-XMSQKQJNSA-N 497.552 2.076 10 20 JECD Cc1ocnc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1811073926 JSOKJKRFMLKVBP-JPYJTQIMSA-N 472.505 2.491 10 20 JECD CO[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2)c1ccccc1 1812680171 FWDPYLDROXZGBB-SCLBCKFNSA-N 490.632 2.303 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)C2=COCC2)[C@H]1c1cccnc1 1814166011 MZMSIYKWRSIINE-VYHZTRRPSA-N 451.479 2.222 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccc4[nH]ccc4n3)sc2C1)c1cc(O)nc(O)c1 1819039614 QMZSMVZDRIJUKV-LLVKDONJSA-N 450.480 2.365 10 20 JECD Cc1ccc(C(=O)C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)cc1 1825847845 XZNRMXXZQXNYKB-ZDUSSCGKSA-N 488.616 2.107 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1829861607 MWHOTBVGBNFWCD-SQHAQQRYSA-N 496.608 2.079 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc[nH]n2)CC1 1831192221 LNYFGIBYZNYWAW-QFIPXVFZSA-N 462.554 2.365 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CCc3ccc[nH]3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132675 BYIFLRFPZYRNRQ-UHFFFAOYSA-N 490.608 2.312 10 20 JECD C/C(=C\c1ccc(C)o1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880660 FAURAXTYMQOWAA-CNJKNYJSSA-N 498.532 2.278 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)c2ccon2)C1 1842539772 QUFARBJBOAQVBH-KRWDZBQOSA-N 486.525 2.039 10 20 JECD NC(=O)COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 18820762 IOXDCJLZULRRSW-UHFFFAOYSA-N 458.426 2.122 10 20 JECD CN(CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1=NS(=O)(=O)c2ccccc21 726565247 IGKFIUWVHUKLQD-UHFFFAOYSA-N 478.521 2.454 10 20 JECD Cc1nnnn1-c1cc(NC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1F 727946706 MVMUDPGOSWUOPW-ZIAGYGMSSA-N 485.495 2.117 10 20 JECD CC1CCC(NC(=O)CN2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)CC1 728303603 ASNZJJTXUPIFPC-UHFFFAOYSA-N 475.609 2.184 10 20 JECD CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 729047130 ASWRLIBFFWZVHQ-UHFFFAOYSA-N 485.551 2.238 10 20 JECD CN1CCN(CCCNC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CC1 914443568 ZSIHCXIBZHROJL-LGMDPLHJSA-N 497.484 2.404 10 20 JECD COc1cc(C(=O)NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1OC(F)F 918141112 IQFHQPRFZQDNKL-UHFFFAOYSA-N 467.444 2.319 10 20 JECD O=C(NCCN1CCN(Cc2ccccc2)CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 918186167 UXQXSENVHYDOIU-UHFFFAOYSA-N 469.605 2.404 10 20 JECD CCCNC(=O)CN1CCC(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 918212479 NAXASUWPXVDXSY-HDICACEKSA-N 463.598 2.229 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 918307384 UXLCBBJUGBYIFP-UHFFFAOYSA-N 475.615 2.056 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 918333924 CODRKMWIOMSEQV-UHFFFAOYSA-N 493.541 2.241 10 20 JECD O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918336132 VWZJMAIHRKBJFN-UHFFFAOYSA-N 474.564 2.082 10 20 JECD CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC=C2C(=O)NC(=S)NC2=O)c1 920978093 UNBZTHODZWCBPF-UHFFFAOYSA-N 464.956 2.382 10 20 JECD Cn1ncc2c(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)cccc21 1778031725 QJKXXRPYOLZKKH-QHCPKHFHSA-N 470.913 2.395 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cn3ncccc3n1)C2)c1cc(O)c(O)c(Cl)c1 1781122896 ZXFQZGRJRNOXBN-WZONZLPQSA-N 485.928 2.235 10 20 JECD CC1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)CC1 1783218689 VKGSCGJRMOEDHT-NLHDKNESSA-N 487.597 2.062 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cn3ccc(Cl)cc3n1)CCO2 1785505920 RVTZMPLDSAQYHM-UQPVFDRXSA-N 498.923 2.261 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cc(-c2cccnc2)[nH]n1 1788935778 ACOJQWJKNYREHH-HTZUNMPGSA-N 497.939 2.443 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790246020 DLIHLFLGUUBPPB-CXIBIASBSA-N 475.929 2.207 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3OCC4)C[C@@H]21 1792219468 WUCBWNBZIXDFBI-JSFTZJQYSA-N 480.517 2.045 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1nc2ccc(C(F)(F)F)cn2n1 1796600418 GXZJSVCXPINXOQ-BTTYYORXSA-N 476.415 2.120 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cn2cc(Cl)ccc2n1 1796850328 JZOJPMCOOPJBSH-MSBPNGLFSA-N 498.923 2.021 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1c(Cl)ccc(Cl)c1O 1799734941 XUTZMHSARUEXDG-YQYWCBKUSA-N 468.293 2.022 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1CCc2ccccc2C1 1800683420 DENGSYHRUHJQJB-RNWFBRSPSA-N 478.545 2.211 10 20 JECD O=C(CN1CCCC1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1802560312 HYGORRCRLVJXLW-SCOJYPESSA-N 466.538 2.013 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cc(-c2ccco2)no1 1804333296 GHOFDOOMDWPXGF-CLLJXQQHSA-N 460.537 2.047 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cccc2ccncc12 1804335747 ITYFYZAAXSFQGD-MUJYYYPQSA-N 454.577 2.347 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC2(CCCN(C(=O)[C@H]3COc4ccccc4O3)C2)CC1 1806707622 WQYBMVLFPKDMIA-LJQANCHMSA-N 453.495 2.178 10 20 JECD C[C@H](Nc1cccnc1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807155686 OKLDSSLPDCNWCI-YHEJKZAPSA-N 462.510 2.103 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCN2CCCCC2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807990860 KLVVPSDILDPDQE-MBSDFSHPSA-N 453.543 2.083 10 20 JECD O=C(NCCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccccc1 1808002028 SSIVRDAFUFOAHY-NTKDMRAZSA-N 489.532 2.028 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc2c[nH]nc2c1 1808056841 FHWVWVPHSDDNKR-UWJYYQICSA-N 494.602 2.138 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811806459 OGVZNQKOQYCEHZ-ZXYWRSMDSA-N 489.960 2.173 10 20 JECD CN(C)c1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1811919257 NVVYJNSPRCBKNS-XMSQKQJNSA-N 497.646 2.328 10 20 JECD O=C(Cn1cnc2ccccc21)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728070 GSMYRVNXCVSOEB-ZDUSSCGKSA-N 464.507 2.225 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccc4c(c3)COC4)sc2C1 1818413848 JFVXIZMODKVGBD-CQSZACIVSA-N 488.616 2.259 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])CC2)CC1 1838030307 LVRJDPIXDPMWAZ-UHFFFAOYSA-N 488.472 2.466 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)cc1 1839348519 URDZQZIBDWKOFD-MHZLTWQESA-N 490.560 2.111 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)C1 1842862727 OABUTYJARZTWFU-DJPFJPOOSA-N 484.647 2.428 10 20 JECD CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1 116287609 MACSWFUBNPVYPR-QHCPKHFHSA-N 450.631 2.298 10 20 JECD COc1ccc(N2CCC(NC(=O)NCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 726616948 XHUTVILSHWFLDC-UHFFFAOYSA-N 475.590 2.043 10 20 JECD O=S1(=O)CCN(c2ccc(CNS(=O)(=O)c3sccc3Br)cc2)CC1 726977204 YODMKQSPIGKDCZ-UHFFFAOYSA-N 465.416 2.224 10 20 JECD CS(=O)(=O)NCCN1C(=O)/C(=C/c2ccccc2I)SC1=S 727178143 SOCWOPSITLJEGA-FLIBITNWSA-N 468.363 2.042 10 20 JECD CCOc1cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)ccc1OCC(=O)OC 728471077 XAZHYBKQOHEFQZ-UHFFFAOYSA-N 462.524 2.124 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CN3C(=O)COc4ccc(Cl)cc43)CC2)cc1 742920768 NEPAXDDAYYGTNU-UHFFFAOYSA-N 458.946 2.012 10 20 JECD C[C@H](OC(=O)c1ccc(CS(N)(=O)=O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 746629950 ZSERZHHSBSKNNC-AWEZNQCLSA-N 492.509 2.435 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)NCc2ccccc2O)c1 748438341 IXWDCTVIWKXWHW-UHFFFAOYSA-N 475.615 2.496 10 20 JECD O=C(COC(=O)CSC(F)F)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 825270866 MCJKVAPDEGGPQZ-AWNIVKPZSA-N 490.531 2.232 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)CC2)cc1 832250957 NSDSEPLGHYAAKV-IBGZPJMESA-N 486.638 2.483 10 20 JECD COc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2=O)cc1 917834709 OCVIYSFEOUIEHH-OALUTQOASA-N 450.539 2.066 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)cc2)C1 917930209 MWPSBSGKHWRHGY-SFHVURJKSA-N 456.568 2.142 10 20 JECD C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918643333 KPOZKAJJMLBXDZ-INIZCTEOSA-N 479.599 2.437 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cnc4sccc4c3=O)cc2F)C[C@@H](C)O1 918833852 MFJSCJQOFIZHNI-GASCZTMLSA-N 488.541 2.070 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H](C)NC(=O)c3cccs3)cc2F)C[C@@H](C)O1 919049821 AGTHCTGFWNDXSV-OWCLPIDISA-N 477.558 2.479 10 20 JECD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 920189502 IDHXPPXKUJDEPX-UHFFFAOYSA-N 483.546 2.388 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cnc2ccccn12 1778584717 VOSCGNKUMDTCJQ-LEKYLPEBSA-N 492.532 2.292 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)CC1 1782007501 JHVOYTDNZLKHTK-QFIPXVFZSA-N 495.960 2.252 10 20 JECD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc(OC)c1C 1785177653 CDXJULDMFQQVFY-MXDXTTGUSA-N 498.532 2.286 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)CCc1cccc([N+](=O)[O-])c1)CCO2 1785503827 RRJPWDCPCWEHLK-UPXASZCJSA-N 497.504 2.188 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796935421 HVQMDHPZECBXDI-IZBJGVDFSA-N 461.522 2.280 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc2c(F)cc(F)cc2[nH]1 1796936410 FFZBIXYUHQOUGS-LJHGLZDNSA-N 499.470 2.480 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccoc3C1)C2)c1cc(O)c(O)c(Cl)c1 1799766893 DBIUHMPLTKTJPT-NTNQKNOYSA-N 460.914 2.353 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@H]1C[C@@H]1c1ccccc1 1800927080 GLOJBDMIKOGLJZ-RKUWGLJLSA-N 464.518 2.210 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cc1Cl)C2 1802078512 BRPPXARWSMKMRB-OQQDEAHASA-N 490.915 2.441 10 20 JECD Cc1cc(C)n(CC(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n1 1804579332 LXCSWSWLVKPEDT-QFQXNSOFSA-N 499.575 2.394 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3cccnc3[nH]2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995169 DJMALVMLOPHAPE-KKSFZXQISA-N 458.478 2.398 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)N1CSCSC1 1807996140 YUHSPFGNIIULMS-KKVAFCGZSA-N 489.623 2.250 10 20 JECD C[C@@H]1CCc2c(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)n[nH]c21 1807996474 SZKHHBICFPJUMM-QCPUYCGNSA-N 462.510 2.294 10 20 JECD Cc1nccc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1808767578 GZFGBAOMWZQDDU-IAADTXTGSA-N 475.505 2.330 10 20 JECD Cc1n[nH]cc1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1811495907 UNWMVUYLNMQESC-UDGCLTLRSA-N 463.494 2.263 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811811057 ZBFVYSKWKDWBGC-VBKZILBWSA-N 455.902 2.432 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc(F)cc1 1811903195 ZEVCFYGOXUASEB-JXFKEZNVSA-N 472.567 2.401 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720294 JDQCSJQVFUMEHU-CMPLNLGQSA-N 477.543 2.088 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728384 NWOYPPXQGXGRSI-DOMZBBRYSA-N 453.524 2.449 10 20 JECD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)no1 1828195505 OVRDPJOSVMHEOY-QDBLGGKGSA-N 456.480 2.496 10 20 JECD Cc1cn2c(=O)c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)cnc2s1 1828288906 NIGCPMZFMHXMAJ-GOSISDBHSA-N 497.577 2.418 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)C4CC4)CCO3)C2)cc1 1830603192 WLBBJAOFWWXUFJ-AREMUKBSSA-N 465.550 2.143 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)C(=O)c1ccc(Cl)cc1 1833300291 GIAVNTQXBHJTOQ-UHFFFAOYSA-N 486.956 2.214 10 20 JECD O=C(c1cncnc1)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837507848 VTCJFENNELOFJY-UHFFFAOYSA-N 460.918 2.467 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)C3CCCC3)CC2)CC1 1837609306 ROBPCWGXNDTJDD-UHFFFAOYSA-N 453.630 2.036 10 20 JECD CCc1cnc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)s1 1838029707 CXZQWYWSQNTIFP-UHFFFAOYSA-N 460.556 2.438 10 20 JECD Cc1c(F)ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1N 1839433866 DOZWKCNSXOBVKR-QHCPKHFHSA-N 493.919 2.165 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)[C@@H]2CC(c3ccccc3)=NO2)C1 1841557197 MQTXYNYCEOJWNN-QFIPXVFZSA-N 471.517 2.176 10 20 JECD O=C(c1cccc(I)c1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250610 RGSGEZDVYWKZGV-UHFFFAOYSA-N 479.274 2.228 10 20 JECD Cc1ncc(C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)cn1 1843330762 MSJVHHNOKUFVAN-OAQYLSRUSA-N 494.596 2.320 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCN(Cc4nc(-c5cccs5)no4)CC3)CC2)cc1 248156997 ZWOGOCHGUFBHAP-UHFFFAOYSA-N 482.610 2.273 10 20 JECD C[C@H](CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)S(=O)(=O)c1ccc(F)cc1 729132865 PYUYRGTZTFQMHB-MRXNPFEDSA-N 496.532 2.213 10 20 JECD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 731049200 PUIDCYPBHVOXMO-OAQYLSRUSA-N 459.635 2.291 10 20 JECD Cc1ncccc1C(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 731095502 RHKRBXXVJMISLI-ZDLGFXPLSA-N 485.543 2.293 10 20 JECD Cc1cc(C(=O)O[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccccn1 914905968 IXMAHMLIFDXXAC-QGZVFWFLSA-N 470.551 2.041 10 20 JECD COCCCN(C(=O)CSc1nccs1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 917551696 TYIKMHARKZEMCX-UHFFFAOYSA-N 461.569 2.198 10 20 JECD COCCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)c1 918436759 BETHWAMRKBMUGA-UHFFFAOYSA-N 459.518 2.375 10 20 JECD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 918440903 UCXDDTYYVRLFGQ-UHFFFAOYSA-N 479.512 2.006 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3COc4ccccc4O3)cc2F)C[C@@H](C)O1 919040949 JYGMEXLKQUSTHR-MCFFVMPBSA-N 458.486 2.439 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(N2CCOCC2)cc1 920926402 NFUSRDOEZPPTNI-CQSZACIVSA-N 465.959 2.396 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)C1 1780289431 WSHGUASFCGPPTC-MHZLTWQESA-N 498.543 2.313 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3ccn(-c4ccccc4)n3)C2)C1 1780342060 VNEALVIVJQICRG-MHZLTWQESA-N 498.543 2.109 10 20 JECD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003523 LAKXMHOXXNYSCD-JOCHJYFZSA-N 493.875 2.485 10 20 JECD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)ccc1O 1782007447 GAKRAXBCXDKVIM-QFIPXVFZSA-N 462.886 2.223 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1cccnc1)C2 1783220036 OVJKJHVWLSTHSF-KGNQVXLASA-N 479.533 2.439 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc(F)cc1)C2 1783245751 BJDICALGRSBFNT-WZONZLPQSA-N 493.626 2.133 10 20 JECD CCC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796748683 DQUQRJLADZDJQN-IYWMVGAKSA-N 472.586 2.322 10 20 JECD COC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1803689913 WSNUAWZSSMHGOZ-ZQPKUIBYSA-N 455.511 2.200 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(C(F)F)no1 1807722347 ZJUOSWWZGAIMHY-KPZWWZAWSA-N 459.409 2.447 10 20 JECD COC(=O)c1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1807997723 DKSZWOYSBKKMLH-NTKDMRAZSA-N 490.516 2.237 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807999488 SYIPQPUYJJFVRA-WLENULPWSA-N 461.522 2.481 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1noc2c1CCCC2 1808022910 ZHCVUFTWPPTNIU-IVZQSRNASA-N 463.494 2.388 10 20 JECD Cc1ocnc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808470748 XQNHBSBVPLBTNJ-WZONZLPQSA-N 472.505 2.491 10 20 JECD CC[C@H](C)[C@@H](N)C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1809708264 QYQYVNVABUGRES-PGRDOPGGSA-N 453.587 2.384 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cc2ccoc2cn1 1812068327 QNOUSKRONPFRRA-KKSFZXQISA-N 495.586 2.403 10 20 JECD CCC1(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)COC1 1812494297 RXHWSRNPENNXQA-RQCLJNFQSA-N 467.522 2.344 10 20 JECD C[C@H](Cn1cccn1)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162606 NYWDXFNRYUDYRV-COHJWNIHSA-N 491.548 2.450 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3cccnc3n1)CC2)c1cc(O)nc(O)c1 1816725954 OOPFPHXKBXSKHV-CYBMUJFWSA-N 462.491 2.432 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)CC2)c1cc(O)nc(O)c1 1816727106 DOJFYJASKUBUFX-LLVKDONJSA-N 471.451 2.103 10 20 JECD Cn1ccnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146232 AKECASKMGMRHIY-GOSISDBHSA-N 460.498 2.242 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2ccncc2=O)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821294604 MDDDLCZKCWRETJ-OAHLLOKOSA-N 472.889 2.037 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1823067297 BAPWTLMGYHYEOT-OLZOCXBDSA-N 490.632 2.383 10 20 JECD Cn1nccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476974 VCKUSTCUQOPIGF-PMGBHYCQSA-N 452.471 2.279 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(Cl)nc2)[nH]n1 1823496783 OYDTUSQXMUMKLB-GFCCVEGCSA-N 479.975 2.019 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C(=O)O)ncn1)CC2)c1cc(O)c(O)c(Cl)c1 1823708204 OCMCUUBKRXWNNM-VIFPVBQESA-N 489.897 2.236 10 20 JECD COc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)n(C)n1 1823708282 PBVACJFSTGTRQH-SNVBAGLBSA-N 477.930 2.489 10 20 JECD C[C@@H](Cc1ccco1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1826965142 BMBZIVUXPFDOJV-NWDGAFQWSA-N 478.621 2.387 10 20 JECD O=C(C[C@@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896384 GDHBMRGVKOQBSO-ROUUACIJSA-N 467.657 2.426 10 20 JECD Cc1ccc(C)c(OCC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834985880 NDAXUGOLGMYWAA-UHFFFAOYSA-N 482.581 2.374 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc4sccc4s3)C2)C1 1836418334 OKCOHGGUEWOWEF-OAQYLSRUSA-N 475.548 2.153 10 20 JECD CC(=O)N[C@@H](C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc(F)cc1 1845010510 BAWLBKMJYMEMCP-VMLCMGRWSA-N 483.496 2.037 10 20 JECD CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846138651 AQUYVPORLFTJEC-MKJPBZQASA-N 486.569 2.488 10 20 JECD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1846156277 MPWBYVVGVZQRPV-ZOFCCLMQSA-N 499.564 2.133 10 20 JECD C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)c1ccc(N2CCOCC2)cc1 109180997 XQJFWHPWKILSGL-OAHLLOKOSA-N 455.536 2.321 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)OCCN1CCNC1=O 726388836 JFFYWJKPHPQOCJ-LCYFTJDESA-N 470.370 2.219 10 20 JECD CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 726604230 YZDMBNRIKSPSDV-HNNXBMFYSA-N 461.531 2.366 10 20 JECD COc1ccc(C(=O)CNC(=O)CCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 751345722 KBQSRZDVIYFDOX-UHFFFAOYSA-N 457.502 2.066 10 20 JECD C[C@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)N1CCC[C@@H](C(N)=O)C1 823027628 LEOIGQOYMSJNGT-QWHCGFSZSA-N 468.893 2.385 10 20 JECD COc1ccc(N2CCN(C(=O)CNc3cccc(OCC(=O)N4CCCC4)c3)CC2)cc1 915214739 OXOCXFGQFITZJC-UHFFFAOYSA-N 452.555 2.457 10 20 JECD Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 917394424 RKSQSKPXRAJBAU-PKOBYXMFSA-N 480.034 2.196 10 20 JECD CSc1nc2nc(C)c(CC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c(C)n2n1 917833412 RTYDMFQTTCJFBR-KRWDZBQOSA-N 467.599 2.024 10 20 JECD O=C(COC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)NCc1ccc(N2CCOCC2)c(F)c1 918946839 ZMENIARERDMJES-QFIPXVFZSA-N 485.512 2.253 10 20 JECD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 919818284 FIENSJKYYXYUKC-MRXNPFEDSA-N 480.518 2.331 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 919839116 BOTOCNJASWTZIX-UHFFFAOYSA-N 465.597 2.204 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1778677248 BVPJGMIMWSVGQP-JOCHJYFZSA-N 456.886 2.385 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008063 TVSNNADHOWWTMX-QFIPXVFZSA-N 483.949 2.110 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@H]1C[C@]1(F)Cl 1782289197 XTOCSTVLASPUGE-SBQVSDJPSA-N 476.936 2.218 10 20 JECD O=C(CCc1cn[nH]c1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1786852557 COUPHHYLQBXELX-UHFFFAOYSA-N 457.581 2.337 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)ncc1[N+](=O)[O-] 1787640656 AJBTXLFGPDMTFF-PJFSTRORSA-N 490.900 2.270 10 20 JECD O=C(Cn1cncn1)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1788257357 GNQKLDRDEQSKKW-UHFFFAOYSA-N 457.494 2.205 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cc2n(n1)CCCC2 1788356457 YDZKIRLSSJBEGW-RISOHXOYSA-N 474.945 2.191 10 20 JECD CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1801882437 UECBPUZUJOMRDL-YVSFHVDLSA-N 472.542 2.002 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(F)cc1F)C2 1802078955 NEDGTQUGUAUGOA-CIWMMSHSSA-N 486.471 2.398 10 20 JECD O=C(CCc1cn[nH]c1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1804499063 AKCPLLSPRKZESB-CJFMBICVSA-N 485.548 2.236 10 20 JECD CC(C)c1nc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)co1 1804840960 OHTTWXNKHSLYBF-BEFAXECRSA-N 487.607 2.373 10 20 JECD Nc1c(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)sc2nccnc12 1807315445 YDNYSLLAUGGQNW-YJYMSZOUSA-N 491.533 2.108 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469565 PIKQNSITIUDDEJ-ROKPMTFOSA-N 475.549 2.307 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1814028586 DTLRXDNBXCLFMD-IIBYNOLFSA-N 485.541 2.122 10 20 JECD Cc1ccc(OCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)cc1 1814132436 CHBWNJWTHPBVLX-CYBMUJFWSA-N 490.632 2.303 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cccc(F)c2)[C@@H]1c1cccnc1 1814189150 BDGPLURNFNCSHB-OXJNMPFZSA-N 472.567 2.401 10 20 JECD COc1cccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1814190040 PDVVOUSJYJAZMQ-LAUBAEHRSA-N 484.603 2.270 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722746 WJYRFSGOSMTUKW-WCQYABFASA-N 454.512 2.071 10 20 JECD Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c(-n2nccn2)c1 1816727330 OGJGSXOCOJYCBW-CQSZACIVSA-N 491.533 2.378 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc3c1OCC3)CC2)c1cc(O)nc(O)c1 1816727393 SDYIDVHLAOPELJ-GFCCVEGCSA-N 497.489 2.332 10 20 JECD Cn1nc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)c2c1CCC2 1818717560 MDWMCWAHMBQSMJ-MRXNPFEDSA-N 451.487 2.058 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ncc(Cl)cn2)[nH]n1 1823496927 RCIGMONUHCTONS-GFCCVEGCSA-N 479.975 2.019 10 20 JECD CC(=O)N(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715427 TWZGWMJYPWJBNF-QHCPKHFHSA-N 481.597 2.267 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1Cl)CCO2 1829500624 XDRSEVYKBBUAKQ-NRFANRHFSA-N 482.320 2.183 10 20 JECD O=C([C@H]1CCCS1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900393 RSOWZCOVNBTRAN-JKSUJKDBSA-N 455.671 2.362 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(-c4ccco4)no3)CC2)CC1)c1cc(O)nc(O)c1 1834987002 QRLIGKLIZYFPGO-UHFFFAOYSA-N 481.509 2.240 10 20 JECD CCc1cnc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)s1 1834988752 KSWQGHGQCVSHKS-UHFFFAOYSA-N 459.572 2.011 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CC[C@H]3CCOC3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835133916 LJHSLXMAGXIRFN-FQEVSTJZSA-N 495.624 2.168 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cc(F)cnc1Cl 1835886748 HWFKSIHNJMOUHF-UHFFFAOYSA-N 477.924 2.179 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cncc(C(F)(F)F)c1 1836002234 NXOJFLACKVNAHB-UHFFFAOYSA-N 493.486 2.406 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)c3cnc(O)[nH]3)CC2)CC1 1838478411 SAAINMFVHPVHML-UHFFFAOYSA-N 464.906 2.106 10 20 JECD Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)CCO3)n1 1839348952 VXNLTZBOASTYEK-HHHXNRCGSA-N 491.592 2.369 10 20 JECD CO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1840210236 HKFZKCUXSXJSRA-CJFMBICVSA-N 455.555 2.199 10 20 JECD C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1)C(=O)O 1840839258 RHCFFCZSFSPNAV-GKHWQOBXSA-N 481.549 2.195 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)nnc2n1 108317958 VRZFRWUZAVWEDX-CYBMUJFWSA-N 492.631 2.098 10 20 JECD CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 726977001 VFJAZPUZCJQDDM-UHFFFAOYSA-N 475.995 2.180 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 729326921 VFTPXKXTBXAHRW-FQEVSTJZSA-N 494.038 2.406 10 20 JECD CN(C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 914446886 KROACFWBJFVUGE-HRYODUOUSA-N 489.438 2.296 10 20 JECD O=C(COc1cccc(Br)c1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 916676409 LOUJFHFBUMDICG-UHFFFAOYSA-N 453.358 2.379 10 20 JECD O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O 918293919 JCNMEMBXELFIOP-UHFFFAOYSA-N 499.545 2.174 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1sccc1S(=O)(=O)N1CCCCC1 918339064 BBGGDALGHYJPCL-UHFFFAOYSA-N 497.664 2.088 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccccc3NCCO)cc2F)C[C@@H](C)O1 918811336 HLCRXHMXTSNZNC-CALCHBBNSA-N 459.518 2.317 10 20 JECD CC(C)[C@H](C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)n1nnc(-c2ccccc2)n1 919737481 GHRCPAVWGDGKGT-HSZRJFAPSA-N 496.543 2.373 10 20 JECD O=C(CN1C(=O)COc2cc(Br)ccc21)NCc1ccc(N2CCOCC2)cc1 919765441 AJYBEGKQUZNGCG-UHFFFAOYSA-N 460.328 2.328 10 20 JECD C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 919813128 WTKRSNYEOIXAAE-HNNXBMFYSA-N 471.539 2.333 10 20 JECD O=C1CC[C@@]2(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)Sc3ccccc3N12 920739869 RILBKCCARXDOFA-QFIPXVFZSA-N 457.577 2.167 10 20 JECD COc1ccc(-n2c(C)cc(C(=O)OCC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)c2C)cc1 921176176 XJRKJRCMTYCGTJ-UHFFFAOYSA-N 484.597 2.318 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3c(=O)oc4ccccc43)cc2F)C[C@@H](C)O1 1317951964 KAHNCUPHPSUEKQ-IYBDPMFKSA-N 471.485 2.207 10 20 JECD CC(=O)Nc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)ccc1C 1785509742 BKUZAJPBRSPMIO-AQBQYSGMSA-N 495.532 2.227 10 20 JECD O=C(Cc1ccc(F)c(F)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1786581294 SCXKQEPEGXOYHU-LTMIRXACSA-N 496.514 2.280 10 20 JECD COc1cc2c(O)cccc2cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787294470 SBBYYQSUFPNYHB-OHEPNIRZSA-N 493.516 2.267 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540082 BJGMOWMLQANKRB-PZGSVQSZSA-N 499.571 2.483 10 20 JECD COc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)cc(OC)c1OC 1796599014 WYWRCQALEIZOPZ-BJWYYQGGSA-N 471.510 2.013 10 20 JECD CN(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)nc1 1796932726 WXECLHATRYMUGD-GGPHIMKMSA-N 460.538 2.192 10 20 JECD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)on1 1804254820 QPGRSUZLHRXUSD-CLOONOSVSA-N 486.532 2.419 10 20 JECD Cc1cc(C)n(CC(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1804578624 ASYYWBNERHFOOZ-ANWYUNHFSA-N 491.548 2.431 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(C(F)F)no2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995059 WZMLVHKQFJRSKE-KZULUSFZSA-N 459.409 2.447 10 20 JECD CCc1noc(C)c1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807995536 RADQBYWHDYDJKO-BTYIYWSLSA-N 451.483 2.380 10 20 JECD CC[S@](=O)CCC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1810116307 FKJVIRYRJYOUEB-VMUUJRIJSA-N 495.605 2.039 10 20 JECD O=C(CS[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810348452 NUWMZEBHQWRYLD-USCONSEESA-N 472.567 2.467 10 20 JECD COc1ccc(CC(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)c([N+](=O)[O-])c1 1810546296 BTIQDWKGDQRLOB-UHFFFAOYSA-N 484.509 2.497 10 20 JECD Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1O 1814190360 YHHLTKWSDIZRAS-LAUBAEHRSA-N 484.603 2.276 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ncc(Cl)cn1 1816279695 NSECCSRSOPFRMC-GFCCVEGCSA-N 479.975 2.019 10 20 JECD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)n1cccc1C=O 1817484042 BQWLKPURCXKEKG-SUMWQHHRSA-N 452.471 2.397 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@H]1ON=C(c2ccccc2)O1 1819298459 OTNIFRATUYORSS-WAIKUNEKSA-N 478.465 2.257 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ncccc2F)[nH]n1 1823500089 NMYRBGBTYXLJMM-ZDUSSCGKSA-N 462.532 2.110 10 20 JECD O=C(NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)c1ccco1 1827185108 AKGTZPWALBFPAK-QRBZPYHOSA-N 497.548 2.459 10 20 JECD O=C(/C=C/c1cccnc1)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240641 YPNFLIFDNGDUSP-YIALFULDSA-N 473.605 2.024 10 20 JECD O=C(c1cc(O)nc(O)n1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830736378 DBGXIOMQCHOPJR-MRXNPFEDSA-N 476.917 2.500 10 20 JECD CCNC(=S)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1831092886 DNWOAWXKEQWTKA-QGZVFWFLSA-N 483.034 2.469 10 20 JECD Cc1oc(C(C)(C)C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1834200138 KDTPZPYXMDJBLS-XMMPIXPASA-N 473.526 2.076 10 20 JECD CC(C)N[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)C(C)C 1837911712 ZVMONYLFBPKZBA-JOCHJYFZSA-N 462.591 2.128 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)C3(F)CCCCC3)C2)C1 1839433840 CYARNXKWJALJAZ-OAQYLSRUSA-N 470.925 2.494 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)CCc2cnc3ccccc3c2)C1 1841253943 PCBAGVDFNBYUNP-UHFFFAOYSA-N 468.604 2.231 10 20 JECD O=C(CCN1C(=O)c2ccccc2C1=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845500809 RKLNVWHDFFICIZ-UHFFFAOYSA-N 483.908 2.255 10 20 JECD CCOc1c(F)c(F)cc(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)c1F 1845503155 CXIRUEDXCBXFLM-UHFFFAOYSA-N 451.401 2.440 10 20 JECD CC(C)(C)OC(=O)N1CCCC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)C1 1847165213 OJHGESFDWYXCIV-INIZCTEOSA-N 474.558 2.347 10 20 JECD C[C@H](NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1ccc(N2CCOCC2)cc1 726793652 LDAOOEGBSKOCML-KRWDZBQOSA-N 465.597 2.103 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cnn(-c4ccccc4)n3)cc2F)C[C@H](C)O1 918992451 PSBJCMKSRPETER-IRXDYDNUSA-N 467.501 2.493 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCS(=O)(=O)c3ccccc3)cc2F)C[C@@H](C)O1 1318012117 GAXMPNXUFMNLPG-HDICACEKSA-N 492.569 2.463 10 20 JECD C[C@@H](Sc1ccccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777851636 MZPYVDNBURHGDS-QDOIMOTRSA-N 472.567 2.196 10 20 JECD COc1ccsc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1779847973 BLEWEXZOIOUJCU-YXMLYAQVSA-N 460.508 2.030 10 20 JECD Cc1cnn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)c1 1781122708 CTYNJLMZMJRGQP-XMSQKQJNSA-N 462.934 2.084 10 20 JECD O=C(CC1Cc2ccccc2C1)N1CC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1785651533 PIGKWIXTOBRWLT-NDEPHWFRSA-N 486.572 2.414 10 20 JECD O=C(Cc1ccsc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1787066434 MNMABOBOZQOLQA-CUWPLCDZSA-N 466.563 2.063 10 20 JECD CC(C)Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)cc1 1790205722 DJPVPZBAGNXBHW-UFYCRDLUSA-N 489.663 2.339 10 20 JECD CSCC[C@H](O)C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792316100 PGGRJGSAKRWICE-HNNXBMFYSA-N 467.638 2.095 10 20 JECD COC(=O)[C@H]1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)C1 1793098945 LIGKLUJHPOPJQL-FPPGBKCQSA-N 466.538 2.007 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cc(C2CC2)on1 1802788037 BYRRIKPNWZXCDX-QRWLVFNGSA-N 485.591 2.127 10 20 JECD O=C(NC[C@H]1CCN(C(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998136 ISHLTNQOPMSSMB-MXJUGCHNSA-N 499.527 2.117 10 20 JECD CCOCCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813540818 VVJWDMNYNZOZET-LFXIQIKPSA-N 455.511 2.344 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(OCCCO)cc1)CC2)c1cc(O)nc(O)c1 1816727310 NELVBNQAOGMKPJ-OAHLLOKOSA-N 484.534 2.250 10 20 JECD Cn1cc2cc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)ccc2n1 1816728298 FTNMKBBPTRGICS-AWEZNQCLSA-N 464.507 2.376 10 20 JECD Cc1noc(N)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1817287719 ZGPHFLOIKBOTCV-QGZVFWFLSA-N 476.497 2.387 10 20 JECD Cn1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)cn1 1818146462 JGUJCDHMZKBDGM-LJQANCHMSA-N 460.498 2.242 10 20 JECD N[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1)c1ccccn1 1818146731 ZPKNJSQHDSWDJU-OFNKIYASSA-N 486.536 2.290 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1819617853 LCOGQBDBMBTMNU-CZUORRHYSA-N 451.487 2.417 10 20 JECD O=C(Cc1ccccc1F)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835006578 NNAMKYKYGNPONM-HSZRJFAPSA-N 478.904 2.203 10 20 JECD Cc1cc(F)cc(C(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)c1 1836434821 MXSODSLDTKYHRF-UHFFFAOYSA-N 492.642 2.180 10 20 JECD C[C@@H](C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2)n1cccn1 1846617483 BUXBBVBJNNNVNG-GHTZIAJQSA-N 496.612 2.366 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2ccccc2[C@H]1O 1847602229 HCSWVEUQVIBSCQ-VTKRMVAZSA-N 464.518 2.314 10 20 JECD CCOC(=O)C1CCN(C(=O)CN(C)C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 728949998 WOLGUHZLXGZDQP-UHFFFAOYSA-N 462.616 2.183 10 20 JECD CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 744377229 LHBXBTBBFKQVKM-STQMWFEESA-N 464.500 2.134 10 20 JECD CC(C)[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)N1C(=O)c2ccccc2C1=O 917832538 ACYNMDUZEJVUQL-AVRDEDQJSA-N 462.550 2.325 10 20 JECD Cc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1S(=O)(=O)N(C)C 918027352 KFOMUJAZPTVXMN-GOSISDBHSA-N 473.599 2.269 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)cc2F)C[C@H](C)O1 918286692 KCHKIGNXBOCKRW-IRXDYDNUSA-N 496.539 2.343 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc(-n2cccn2)c(F)c1 918438267 LDVRXSXYTUHADA-UHFFFAOYSA-N 455.465 2.367 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)CC2)cc1 918461568 FZGYWOJTXKLHFR-UHFFFAOYSA-N 488.610 2.402 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCN3C(=O)COc4ccccc43)cc2F)C[C@@H](C)O1 919005538 DTFALYIRJLSLGZ-HDICACEKSA-N 499.539 2.414 10 20 JECD COC(=O)c1ccc(F)c(S(=O)(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 920316087 YINNDUKPOZXGND-UHFFFAOYSA-N 465.547 2.112 10 20 JECD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 1335808868 YETNZVNVIORMFQ-YESZJQIVSA-N 479.574 2.028 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)C1 1780289430 WSHGUASFCGPPTC-HHHXNRCGSA-N 498.543 2.313 10 20 JECD O=C(Cc1cnc2ccccn12)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003112 BQQAVMKXBSAJSP-QHCPKHFHSA-N 470.913 2.085 10 20 JECD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)n1cccc1 1782440664 PVUCZXBFFYGMHN-IATMXGELSA-N 477.565 2.356 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)cc1F 1783728001 HDKRFIIQVHVKJE-LTMIRXACSA-N 494.523 2.221 10 20 JECD CCOC(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)CC1 1785373852 RGFOGEWEJHBRDB-HSZRJFAPSA-N 495.960 2.063 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cc2ccccn2n1 1787845788 WHEYQWGOBXWOTE-RISOHXOYSA-N 470.913 2.306 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3-n3nccn3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243776 LCIIITYHYDIPKT-LFRPXUGBSA-N 497.939 2.239 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cccnc1OCC1CC1 1794449424 CXNVNAKVPNKSRQ-CWPLJXCYSA-N 487.940 2.452 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1Cc3ccccc3C1)C2)c1cc(O)c(O)c(Cl)c1 1799770406 VLGTZKAEFMOLJU-RMFSNUHRSA-N 456.926 2.369 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cn2c(F)cccc2n1 1799999677 YFUQXZGCRIXABC-DBWKPXFBSA-N 474.876 2.055 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc(Cl)cc1Cl)C2 1802077719 OYWQLSMSYGDVCV-RJSSMCAOSA-N 494.331 2.422 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)[C@H]1C[C@@H]1c1ccc(F)cc1 1804334819 WGHOKWWPRVTHTM-ILOCAZANSA-N 461.584 2.428 10 20 JECD O=C(CCOc1ccccc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1806354201 RAOFCORAQSATDT-MBSDFSHPSA-N 498.630 2.417 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)C[C@@H]3CCCCO3)C2)CC1 1806599767 GDBPDDXLXUHBOI-INIZCTEOSA-N 453.630 2.037 10 20 JECD Cn1cc(CCC(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cn1 1807433736 JNAOGZCPZSLHFM-SCDBNKITSA-N 491.548 2.284 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2COc3ccccc3O2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993662 LLBHXYVAFDBZMB-GRWTVWFQSA-N 476.489 2.047 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc3c2OCC3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995270 FWRUSZAXJUXVGX-JTSKRJEESA-N 460.490 2.456 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807996077 XKZQYWFOZPTIOQ-BFUOFWGJSA-N 490.442 2.274 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)c(F)c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001737 WWBMBPCKMCSNIN-YCRPNKLZSA-N 452.442 2.366 10 20 JECD CCN(CC)C[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1812358722 NEXAMJHCDSHWAS-ZJBJCVSYSA-N 455.559 2.185 10 20 JECD CCO/C=C/C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813248022 FVERWINKVDYAGH-UFWXTQSWSA-N 461.522 2.431 10 20 JECD CC(C)N(C)CC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813597646 YOJNVWFEOIRDGQ-CPJSRVTESA-N 476.581 2.221 10 20 JECD CN(C)c1cccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1814190098 QIMXVQBJZPCPMC-XMSQKQJNSA-N 497.646 2.328 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1cc(O)ncn1 1815358322 NYDMDBSGZGVKNB-GOSISDBHSA-N 474.481 2.004 10 20 JECD C[C@@H](Nc1nccs1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1817220768 LVFGHZJMCDMPSQ-MWLCHTKSSA-N 460.541 2.132 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCOC1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817366776 GFTZZRRAAMTTHQ-CABCVRRESA-N 467.551 2.275 10 20 JECD O=C(/C=C/c1cnc[nH]1)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367196 RTHBFDZWTDQHQE-RCQQVGEISA-N 475.534 2.285 10 20 JECD NC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccccc1 1817405596 GDYFFSKTPXZCAN-WBVHZDCISA-N 486.623 2.005 10 20 JECD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848565 QICKXHOVHCPZIV-ZMSDIMECSA-N 469.498 2.277 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CC=CCC1)CC2 1828247226 QFIPIOAEJYGOBD-RYUDHWBXSA-N 450.611 2.272 10 20 JECD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)n1ccnn1 1831176897 HBGFNDJFOPZCKR-ZEWDCPDSSA-N 469.542 2.289 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1sccc1F)CCO2 1831922196 MQXGGYQBOLMEOE-HXUWFJFHSA-N 470.906 2.336 10 20 JECD O=C(CCc1cncnc1)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1834844707 GTNRLXKPCHYWBQ-UHFFFAOYSA-N 487.988 2.359 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3Cl)C2)C1 1839433406 GNXMHFJRSMTWHQ-NRFANRHFSA-N 482.320 2.183 10 20 JECD O=C(Cc1ccc2ccccc2c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056499 FLADQQQFAMCNLU-UHFFFAOYSA-N 453.589 2.446 10 20 JECD COc1ccc(N2CCCN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 108576304 WDVWFJYFCKKUFW-UHFFFAOYSA-N 453.511 2.381 10 20 JECD C[C@@H](OC(=O)CNC(=O)Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 726819458 ITPMESJUUFGXFY-OAHLLOKOSA-N 486.480 2.397 10 20 JECD O=C1C[C@@H](N(C(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)C2CC2)C(=O)N1 726942464 GKDCJXAFPJCMRU-CRMJKIRDSA-N 494.392 2.056 10 20 JECD CCN1CCN(c2ccc(CNC(=O)NCC3(NS(C)(=O)=O)CCCCC3)cc2F)CC1 730670119 NUVCNJCGZQVZQA-UHFFFAOYSA-N 469.627 2.019 10 20 JECD CCOC(=O)N1CCCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 748310691 JZSKHKLJQHQZDM-ROUUACIJSA-N 450.555 2.220 10 20 JECD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(OC)c1 917832717 GBJMECDYNZSMFX-XXBNENTESA-N 494.592 2.327 10 20 JECD COc1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1OCC(=O)NC(C)C 917836173 JZERRFLCVPMNOW-HXUWFJFHSA-N 482.581 2.230 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 918138852 YZLXNZABJQEDNG-LJQANCHMSA-N 477.558 2.050 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC1CCN(Cc2ccccc2)CC1 918778139 ZPMDUTOQBWCMIQ-UHFFFAOYSA-N 456.612 2.385 10 20 JECD O=C1COc2cc(S(=O)(=O)NCc3ccc(N4CCOCC4)c(F)c3)c(Cl)cc2N1 1321816576 NFPWNECQUALGOL-UHFFFAOYSA-N 455.895 2.125 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(C(F)(F)F)nc1)C2)c1cc(O)nc(O)c1 1777847766 OHLWPCXYOGUAOT-IIBYNOLFSA-N 480.443 2.348 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(-c3ccccc3)[nH]n1)C2)c1cc(O)nc(O)c1 1777851221 SBXZAZSKGQUETD-CJFMBICVSA-N 477.521 2.324 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccn2ccnc2c1 1779046806 XKWRJBCMPQONMM-ZYAZBWOASA-N 492.532 2.292 10 20 JECD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1N(C)C 1781127823 IOBNOVZDOXCGGH-MDRWGITRSA-N 497.548 2.035 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)nc3)C[C@@H]21 1792218825 GYKBXDDHLZTJGH-SEGFNAPRSA-N 473.913 2.159 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cccn(C(F)F)c1=O 1796934644 NPDKZPNNJMYZKQ-ACHSLPGTSA-N 483.475 2.288 10 20 JECD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)N(C)C(=O)OC(C)(C)C 1799135492 HMUSQICXSUOZSM-LJGDNWOOSA-N 497.976 2.210 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncoc3c1)C2)c1cc(O)c(O)c(Cl)c1 1799768505 UKSWNMZMWAEFAO-HBCWATKFSA-N 457.870 2.409 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1801896302 FOIGFLJDFMXYJD-RYNBEVSTSA-N 486.569 2.392 10 20 JECD CCOc1ncccc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1802318174 DFJJNCNJRNZXNC-IIBYNOLFSA-N 463.494 2.315 10 20 JECD CC(C)(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)NC(=O)OC(C)(C)C 1804334179 HKTVMEVDQHQMMF-QDMKHBRRSA-N 498.671 2.178 10 20 JECD O=C(Cc1cccc(F)c1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1806551633 XSKGUPVENHZRRJ-JTSKRJEESA-N 486.594 2.330 10 20 JECD O=C(Cn1ccccc1=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1807443062 SIGWSSCREDTUCM-KSFYIVLOSA-N 482.924 2.328 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C[C@@H]2COc3ccccc3O2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994755 ZEMRUUAVTSXPMP-SXMMONRFSA-N 490.516 2.438 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807998653 DIMIZPATXBYYFN-WZONZLPQSA-N 489.532 2.463 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1nc[nH]c1[N+](=O)[O-] 1808372188 QLLZMIPLXVTHQZ-SJCJKPOMSA-N 486.872 2.411 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)[C@@H]1Cc2ccccc2O1 1809588680 SRIZESKHCDLNOF-NYDSKATKSA-N 460.490 2.211 10 20 JECD N=C(N)SCCC(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1809759889 TYUFTVDSCHGJKV-UHFFFAOYSA-N 470.599 2.027 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)C1=COCC1 1813590039 VPRVVLQCHBRVDK-MBSDFSHPSA-N 459.506 2.185 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cccnc2Cl)[C@H]1c1cccnc1 1814184787 FXPNMXMHJRLBLK-KSSFIOAISA-N 490.010 2.310 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3ncncc3c1)CC2)c1cc(O)nc(O)c1 1816726438 WDZWTNXIIHXIAR-AWEZNQCLSA-N 462.491 2.432 10 20 JECD O=C(COc1ccccc1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816863801 HKHXVRPWHHVNAY-MRXNPFEDSA-N 473.580 2.341 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cncn2-c2ccncc2)[nH]n1)c1cc(O)nc(O)c1 1817844175 SDCZHTKZPYLSHM-QGZVFWFLSA-N 474.481 2.416 10 20 JECD C[C@H](Cn1cncn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1819539742 HEQVOHLRHLMSBC-OXQOHEQNSA-N 489.540 2.123 10 20 JECD C[C@H](Nc1ccccn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1819617855 LCOGQBDBMBTMNU-XJKSGUPXSA-N 451.487 2.417 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(O)cc2F)[nH]n1 1823499486 IPFNZVXQNYGKJR-OAHLLOKOSA-N 477.543 2.421 10 20 JECD Cn1nccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1825972814 SZTDMGOHVXEEHU-OAQYLSRUSA-N 462.554 2.446 10 20 JECD O=C(CCc1cccc(O)c1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1826336413 PYNPOKDFFFROKQ-CYBMUJFWSA-N 490.632 2.254 10 20 JECD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)n1cccc1C=O 1827073993 XVIMLTNWYRYBTM-QFBILLFUSA-N 490.651 2.342 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827687824 COXNPRDFMXZALH-WZONZLPQSA-N 481.597 2.266 10 20 JECD O=C(c1cccc(=O)n1O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877035 RTYZBBHHVAFGFZ-LNENJAERSA-N 483.521 2.149 10 20 JECD CC(C)O[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901160 PXYGBAMOTZPSCD-NVXWUHKLSA-N 455.646 2.280 10 20 JECD COc1ccc([C@@H]2C[C@@H]2C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1833445322 ZIPNXVXZLMWFPK-GOTSBHOMSA-N 494.592 2.490 10 20 JECD Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)n1 1834151189 YHSBNFGGUBKUMN-SOFGYWHQSA-N 480.565 2.405 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc4ncccc4[nH]3)CC2)CC1 1838030304 LSBIJYAXOQMDJM-UHFFFAOYSA-N 465.510 2.295 10 20 JECD COc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1F 1838031673 BZZCQVMBRNLUFS-UHFFFAOYSA-N 487.528 2.495 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCO2)CCO3)cc1 1840014952 NLMRVUPIYZCAJQ-OZXSUGGESA-N 467.566 2.343 10 20 JECD C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1841794452 MWCNXBJIOJNICE-NVXWUHKLSA-N 474.558 2.203 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2ncc(OC(F)F)cc2Cl)C1 1842238894 YXNJSXNLJIJCDR-UHFFFAOYSA-N 454.817 2.273 10 20 JECD COc1ccc(COCC(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cc1 1843442390 MEYJNWFSCPIXDY-UHFFFAOYSA-N 476.533 2.208 10 20 JECD CCOc1c(F)c(F)cc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)c1F 1845504456 VEULQPIPFROKNC-UHFFFAOYSA-N 487.525 2.180 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 16134848 NLFDZEDAVOZSOW-UHFFFAOYSA-N 489.594 2.012 10 20 JECD CCS(=O)(=O)NCCCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 726771312 KUUCLVRUBUBJJO-WYMLVPIESA-N 461.656 2.175 10 20 JECD CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 727602092 YYFUZDCNSCESQE-KRWDZBQOSA-N 460.600 2.364 10 20 JECD CN(C)c1ccc(CNC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1F 746978428 OLYMDFABBDJFCD-UHFFFAOYSA-N 455.600 2.228 10 20 JECD CN1CCN(CCNC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CC1 914445490 RPTWBCRDPMZKCR-VBKFSLOCSA-N 483.457 2.014 10 20 JECD CCNC(=O)CN1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 914453627 MRAVOLKEZHHAOE-DTQAZKPQSA-N 466.654 2.010 10 20 JECD CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 916676156 AWUWJFQFOMXBLK-UHFFFAOYSA-N 451.589 2.185 10 20 JECD Cc1cc(CC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c(C)n1-c1ccc(Cl)cc1 916994324 UYHYSOGALBDXKO-UHFFFAOYSA-N 458.990 2.293 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CS(=O)(=O)Cc3ccc(Cl)s3)cc2)C1 917832602 CWQRIRBACRMGPL-OAHLLOKOSA-N 470.016 2.334 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cnc4sccc4c3=O)cc2F)C[C@H](C)O1 918833853 MFJSCJQOFIZHNI-GJZGRUSLSA-N 488.541 2.070 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)Nc1cc(F)cc(F)c1 919800646 YLMVAUIGORNWAM-UHFFFAOYSA-N 470.455 2.475 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cncc(C(F)(F)F)c1 1779851940 VDXLXCJBJFWLIK-IIBYNOLFSA-N 480.443 2.348 10 20 JECD O=C(COc1ccccc1F)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009087 RENPEACVPRYRID-JOCHJYFZSA-N 464.877 2.413 10 20 JECD C[C@H](Sc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1784415755 IGIVNSMVYVVTPB-BVZFJXPGSA-N 493.589 2.185 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cnc3cc(Cl)ccn13)CCO2 1785509171 OSBVHEMXRLMZMI-UQPVFDRXSA-N 498.923 2.261 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ccccc4n3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539681 PRLNFUYXECWTKR-KDLAUNOPSA-N 498.543 2.016 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(F)CCCCC3(F)F)[C@H]2C1 1788171353 SRWMVQPZBSZMAX-LTKYSVDLSA-N 457.449 2.004 10 20 JECD CCOC(=O)C1(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)CC1 1791160570 YMOULELYXFZZGZ-UHFFFAOYSA-N 475.592 2.324 10 20 JECD C[C@H](C(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1)n1cnnn1 1791915386 FEBCEGHDBNZMRY-MRXNPFEDSA-N 472.509 2.161 10 20 JECD C[C@@H](Nc1nccs1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1796865708 OBBHLFSGOCWXFV-YPOVHQQRSA-N 458.540 2.412 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1801973300 QNQUIBRPBDHWOB-BFHQPYISSA-N 489.528 2.365 10 20 JECD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)[nH]1 1803814201 YLJAXDIXOFUVSD-FDDCHVKYSA-N 471.521 2.226 10 20 JECD CC(C)(C)n1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cn1 1804935200 ZMWNZCOTTYGPGI-KKSFZXQISA-N 464.526 2.473 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807997657 CFYYCGIUDNHPKM-KKVAFCGZSA-N 485.541 2.121 10 20 JECD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n[nH]1 1808468366 PVNCDWAENZQLOK-KBMIEXCESA-N 485.548 2.155 10 20 JECD CCN(C)[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808469170 IQSXJIGEJUWZGT-WWEVIYMKSA-N 476.581 2.221 10 20 JECD Cc1nnsc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808646464 GOVYVZVDJKAWEH-UTKZUKDTSA-N 489.561 2.354 10 20 JECD Cc1cccn2ncc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c12 1812269646 CWVNIGGDMADGPZ-UZUQRXQVSA-N 472.505 2.477 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@H]2CCC(F)(F)C2)[C@@H]1c1cccnc1 1814186106 XDPFHCLYFXWHRB-DHSIGJKJSA-N 482.578 2.383 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cc3cccnc3[nH]2)[C@H]1c1cccnc1 1814189011 JATYJLPFFSPCIL-UZLBHIALSA-N 494.602 2.138 10 20 JECD Cc1nc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)sc1C 1814190409 ZNUWZQYWRDYWOA-QAPCUYQASA-N 489.648 2.335 10 20 JECD O=Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)s1 1815376773 ZFIGVZFQBBGFRE-VIFPVBQESA-N 480.618 2.103 10 20 JECD Cc1nc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cs1 1815892566 YWJKDCDHAXZVGS-AWEZNQCLSA-N 478.625 2.270 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc3ccccn3n1)CC2)c1cc(O)nc(O)c1 1816725889 RQSULRHCWSDNEJ-GFCCVEGCSA-N 450.480 2.137 10 20 JECD COc1nc(C)ccc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816725999 QVSZJJQRQGFGAJ-LBPRGKRZSA-N 455.496 2.201 10 20 JECD CN(C)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817844031 NEOZCXZTPYEULZ-QGZVFWFLSA-N 451.487 2.297 10 20 JECD O=C1Cc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)ccc2N1 1817845276 IVTARHJLTPSTRJ-QGZVFWFLSA-N 462.466 2.330 10 20 JECD COCCn1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)n1 1818262579 ZODHDEINRDBIHG-JHTBKMLMSA-N 496.524 2.389 10 20 JECD CC[S@](=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1819267838 PYKLAHORGSCUJO-ZUHBKIFISA-N 476.555 2.391 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccc(F)cc3)sc2C1 1822187719 HCISBXAQSQEWSC-GFCCVEGCSA-N 464.569 2.368 10 20 JECD Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)nc1 1823496611 MZZNJWLCAMRFKL-OAHLLOKOSA-N 458.569 2.279 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cnoc2C2CC2)[nH]n1 1823496684 OZKBDCUCBWPBJV-AWEZNQCLSA-N 474.568 2.441 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)CC1 1825378818 JWNOLWYOIPJWLL-HSZRJFAPSA-N 475.549 2.346 10 20 JECD CCc1[nH]nc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1F 1825655587 WEDAMSVVINQUCL-HNNXBMFYSA-N 481.619 2.205 10 20 JECD CN(C)c1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)o1 1828195523 PCJGIPFJTCRODP-WNPFHQFXSA-N 485.522 2.253 10 20 JECD COC(=O)C12CC(C(=O)N[C@H]3CCc4nc(NC(=O)/C=C/c5ccc(O)c(O)c5O)sc4C3)(C1)C2 1828197534 AOTUZSQQBLJPBN-WHLZTZBZSA-N 499.545 2.229 10 20 JECD Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)cn1 1834131746 HCEYVIVHKHSETF-FNORWQNLSA-N 480.565 2.405 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)cc1F)CCO2 1839007359 XWSXWSUYOQZAKD-JOCHJYFZSA-N 482.867 2.413 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn(C)c4)C3)C2)cc1 1839348699 HCTVSQLJHPLMMJ-SANMLTNESA-N 477.565 2.211 10 20 JECD Cc1ccoc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433961 GLIJFXTWQAYUCW-OAQYLSRUSA-N 450.875 2.036 10 20 JECD O=C(Cc1cccc(F)c1F)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1839982293 LGPMFAKHDONJNX-HSZRJFAPSA-N 496.894 2.342 10 20 JECD C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccccc1 1840881128 DVFJPRBVLNPUSZ-DTDXPTDKSA-N 496.560 2.467 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)C2CCC(C(F)(F)F)CC2)C1 1841799661 QFXXJSMORXVOOI-UHFFFAOYSA-N 463.547 2.419 10 20 JECD O=C(Cc1ccc(Br)cn1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847033970 RTKWTMHRTXMZOU-XVNBXDOJSA-N 488.338 2.420 10 20 JECD CCCCn1c(N)c(N(C(=O)COC(=O)c2ccc(C)c(O)c2O)C2CCCC2)c(O)nc1=O 727003528 AJSIRKMEXBEQGI-UHFFFAOYSA-N 474.514 2.183 10 20 JECD C[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)c1ccc(N2CCOCC2)cc1 728295302 CWZHHXAYCOPJKM-CQSZACIVSA-N 457.549 2.073 10 20 JECD C[C@@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 748918615 YJTUQCSNCUDJHT-CYBMUJFWSA-N 475.413 2.102 10 20 JECD CNC(=O)c1ccc(CN(C)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 916196594 NJUOJVQEYKMXCI-UHFFFAOYSA-N 453.587 2.409 10 20 JECD O=C(NC1CC1)C(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 917639624 UGGZMYNODBDFLJ-OAQYLSRUSA-N 474.521 2.157 10 20 JECD Cc1ccc(N2C[C@H](C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC2=O)cc1F 918339054 AYWSGSFMSCYYTM-GOSISDBHSA-N 459.543 2.038 10 20 JECD C[C@H](Sc1nnnn1C1CC1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919701347 XXJPQWGMYOOSTH-HNNXBMFYSA-N 483.577 2.061 10 20 JECD O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 919970600 ONXNDKNYIFZETL-RVDMUPIBSA-N 461.559 2.383 10 20 JECD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 920923276 YUPMRWNYJINKPQ-QGZVFWFLSA-N 454.527 2.094 10 20 JECD Cc1ccc(COCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)cc1C 1778119684 VTEUHCDGJFBHDV-QFQXNSOFSA-N 483.565 2.454 10 20 JECD CCC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)COC1 1781122911 AREPZUJNEMBRND-VGOFRKELSA-N 452.935 2.305 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1782009650 YIEIMZFXSSNLFP-BBBIZMJLSA-N 497.935 2.105 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)C(Cl)(Cl)Cl)CCO2 1785510511 NKUQUIPUZLVNMR-WVMJFEGXSA-N 465.717 2.017 10 20 JECD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)cc(C(F)(F)F)c1 1790306910 AUIUIBLKEDWGQQ-IGNZVWTISA-N 495.454 2.427 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc(OCC2CC2)cc1 1792037972 ZFAOHUGXJHMZJP-YYWHXJBOSA-N 467.522 2.189 10 20 JECD CC(C)(C)OC(=O)N1[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C[C@@H]2C[C@@H]21 1796600797 FAUMJMUYGMOBRD-LGAZQOAISA-N 472.542 2.143 10 20 JECD COc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)ccc(F)c1F 1799677217 QCPGSWGIAZXMNK-IOBPIQLWSA-N 490.459 2.007 10 20 JECD C[C@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802079314 AJKZSSOVYXZYAI-BBNHKIMGSA-N 484.524 2.424 10 20 JECD COc1ccc([C@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1 1804334597 TVPPXACDLVPOLN-LLLHUVSDSA-N 461.609 2.297 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cc(C(F)(F)F)ccn1 1804335838 LIKDGBUCKVZQCX-CLLJXQQHSA-N 472.514 2.213 10 20 JECD O=C1Cc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)ccc2N1 1809685195 YMWLZQSHLHQEBA-QMHKHESXSA-N 473.489 2.016 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1n[nH]cc1[N+](=O)[O-] 1810636198 DGEJZENNQIAWBF-XIKOKIGWSA-N 486.872 2.411 10 20 JECD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)n1cccc1C=O 1816722632 SHIUDVKCWMYXCS-AAEUAGOBSA-N 455.496 2.050 10 20 JECD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n[nH]1 1817361873 KCLPHNUMRWJBGM-ZDUSSCGKSA-N 463.523 2.193 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)ncn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818145689 CTJLTINWMBXRSJ-GOSISDBHSA-N 474.481 2.004 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cnn2ccccc12 1818514692 BCOKVHBPMRUMNG-INIZCTEOSA-N 483.579 2.224 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1819585254 VJPSYJKNDCZQEO-XHDPSFHLSA-N 461.906 2.471 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1820147803 KTUQGCVWSQQNET-ONGXEEELSA-N 464.931 2.124 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc(O)c(F)c1 1821095051 ULAKMSSUFDFYBD-AWEZNQCLSA-N 477.543 2.421 10 20 JECD Cc1onc(-c2ccncn2)c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1821253779 XWFKIVXGHHPUIR-GFCCVEGCSA-N 493.505 2.242 10 20 JECD C[C@@H](Cn1cncn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476163 SDZHTAPCNLXUBO-KLYJYZACSA-N 481.513 2.160 10 20 JECD CCN(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1824446673 FKKDSHWRAYKMGZ-GJZGRUSLSA-N 468.583 2.188 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2F)CC1 1827326758 CXRUHEXKHLPFRH-KRWDZBQOSA-N 464.588 2.314 10 20 JECD COC(=O)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)cn1 1827428010 WXESBPBCQTXOLA-IBGZPJMESA-N 468.510 2.222 10 20 JECD O=C([C@@H]1CCc2nc[nH]c2C1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428936 LRCJZOAHGBEGFC-OXQOHEQNSA-N 453.543 2.254 10 20 JECD CN1CCCC[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828194958 FJXOPXAISHYHAC-DGNXDGCUSA-N 472.567 2.370 10 20 JECD CC[S@](=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828199188 OZPXEIUHXLJSIN-XYRWZPRYSA-N 479.580 2.044 10 20 JECD CCc1ccnc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1 1828242637 PFEXCSVVKJTSKS-LBPRGKRZSA-N 475.621 2.187 10 20 JECD Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)no1 1832898624 SVWKXPYGTQIETK-MRXNPFEDSA-N 450.586 2.077 10 20 JECD O=C(CNc1ccc(F)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835583023 BJBKCYGAIADBIM-HSZRJFAPSA-N 493.919 2.072 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cnc1C 1837248302 BVGQKNQUOZZEOR-UHFFFAOYSA-N 454.527 2.431 10 20 JECD O=C(c1ccc2ncncc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433484 JMXRJXJFHUGEAJ-XMMPIXPASA-N 498.923 2.078 10 20 JECD COc1ccc(F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839435299 FXHUOYMMXQFXEZ-QHCPKHFHSA-N 494.903 2.283 10 20 JECD CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccccc1 1840880225 DCWCABNNQGPGFR-OPERUZJLSA-N 496.560 2.467 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)C(C)(C)C)C1 1841314081 NCKGUEFMDLKXNF-WOJBJXKFSA-N 488.629 2.315 10 20 JECD COc1cc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cc(Cl)n1 1843442586 OAACFJVFUWAYIC-UHFFFAOYSA-N 467.913 2.354 10 20 JECD C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037580 SSDNVAOCUWLYRX-QXLXQBSBSA-N 495.532 2.335 10 20 JECD COc1ccc2c(/C=C/C(=O)N3CC4(CCCN4C(=O)CN4C(=O)CSC4=S)C3)c[nH]c2c1 1847055242 APEMLYSUHDAKOP-ZZXKWVIFSA-N 484.603 2.253 10 20 JECD COc1ccc(CN2C[C@@H](C(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1 726524501 XWPHQOLRWXTDCU-QFIPXVFZSA-N 480.609 2.381 10 20 JECD C[C@@H](c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1)N1CCOCC1 729784222 GHBDUMYGIOOYNT-SFHVURJKSA-N 484.572 2.435 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCC3(N4CCOCC4)CCCCC3)cc2)C1 918118871 VNPIOIOJXXOOTH-OAQYLSRUSA-N 457.619 2.223 10 20 JECD COCC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918285946 CFTKXGKWSCALHE-HOTGVXAUSA-N 472.517 2.279 10 20 JECD COc1cc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc2c1O[C@@H](C)C2 918919753 QABRJPUIWSVMSX-HNNXBMFYSA-N 458.486 2.468 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)cc2)C1 920348607 XYKRCBSWXDFHDP-VWNXMTODSA-N 493.608 2.297 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCc3ccccc3O1)C2)c1cc(O)nc(O)c1 1777851031 UIXFGJVKMQUAMO-UMEGOILYSA-N 467.522 2.014 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCC(O)CC1)C2)c1cc(O)c(O)c(Cl)c1 1781122927 DADOTHXFTFPUQE-VSPDFJTLSA-N 466.962 2.430 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccnn1-c1ccccc1)CCO2 1785505490 JUMWVJWNXUSEJU-TTZARTBGSA-N 490.516 2.146 10 20 JECD O=C(Cc1cscn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1787039007 XTSLMCQBXIMRJG-YLVFBTJISA-N 451.932 2.044 10 20 JECD COc1ccccc1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787540159 KTGCRXPXMFQNKY-PTLVVNQVSA-N 490.560 2.010 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3c(O)cc(O)cc3O)cc2)CCC1 1790716206 VYDNFQBWBMWYOZ-UHFFFAOYSA-N 487.559 2.411 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(F)c(F)c1 1795717645 LQTUJZZHHXTXFJ-BTTYYORXSA-N 453.536 2.006 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccc(F)c13)C2)c1cc(O)c(O)c(Cl)c1 1799768354 UNEDLZOAEVKGEA-IVWMJMPLSA-N 474.876 2.055 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC[C@H]3CCCC[C@H]31)C2 1802103920 IGCAHIKETRAOGF-PAXJFUQBSA-N 479.668 2.043 10 20 JECD CC(C)(C)CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802107041 UYRPKFOHGBAFGU-CWPLJXCYSA-N 469.673 2.433 10 20 JECD C[C@H]1Oc2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)/C=C/c3ccc(O)c(O)c3O)cc2NC1=O 1804289170 YTVGHKOZJCRZCQ-TXGZOVEZSA-N 493.516 2.488 10 20 JECD Cc1cc(C)n2ncc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c2n1 1809191851 YJBYRSZQFXPGEV-VGOFRKELSA-N 487.520 2.181 10 20 JECD O=C(Cc1cc[nH]n1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1812417967 FSPKSOBBSQVVRG-JLTOFOAXSA-N 455.902 2.432 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)n1cccn1 1813423699 YKTYMIKBBIANAK-FPGHNAPASA-N 485.548 2.338 10 20 JECD C[C@H](Oc1cccnc1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1813438222 XGZDHSDDJAWVTC-JIGPKXGUSA-N 463.494 2.070 10 20 JECD N[C@H](C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccccn1 1814163077 XTCKZOUPHNNRPL-XZTJCQNUSA-N 489.532 2.013 10 20 JECD Cn1cccc1C(=O)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814166891 VARJEPZBCAXDSZ-BSIOYPLDSA-N 490.516 2.139 10 20 JECD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1814189819 ZTNCFMPIZZTZCT-KSSFIOAISA-N 475.621 2.026 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3c(c1)OCCO3)CC2)c1cc(O)nc(O)c1 1816724749 FZMIEEILEFGQBK-ZDUSSCGKSA-N 468.491 2.260 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(CO)o1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817361945 MHARXQUAXRLQQW-ZDUSSCGKSA-N 479.518 2.247 10 20 JECD COc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145803 KBSLBJAGJHUJLW-LJQANCHMSA-N 490.524 2.251 10 20 JECD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)n1cccc1 1823501142 OFSGJXIKSOYBRI-ZFWWWQNUSA-N 460.585 2.325 10 20 JECD O=C(CN1CCCCC1=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823713407 LPNQXQZUUYGVPN-GFCCVEGCSA-N 478.958 2.446 10 20 JECD O=C(CCc1cnccn1)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1826905609 MEEXFJBLPFHESI-OAHLLOKOSA-N 489.561 2.271 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCCO3)CC2 1828198808 KHBLFOXDNFCOEJ-MXPWBENCSA-N 497.533 2.178 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832875479 NIYNCAKFHNFJHQ-XHNDXGPJSA-N 473.570 2.351 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)[C@@H]1C[C@@H]1C1CC1 1833253559 LQMSLBPKVRJLGE-BMAGUTBCSA-N 469.582 2.434 10 20 JECD CCn1nc(C(C)C)cc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1836190428 ZSUCASDBXPTBJP-UHFFFAOYSA-N 484.601 2.332 10 20 JECD Cc1oncc1C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1837511888 UCIMRUKVKAYYGV-HWKANZROSA-N 471.510 2.425 10 20 JECD COc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)c1 1839433932 YMQRYGRJOWMJET-HSZRJFAPSA-N 476.913 2.144 10 20 JECD Cn1ncc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1C(F)(F)F 1842161689 SMFQLNJBZKLVFW-UHFFFAOYSA-N 474.443 2.049 10 20 JECD Cn1ncc2c(N3CCN(C(=O)NC4CCN(c5ccc(OC(F)F)cc5)CC4)CC3)ncnc21 726721960 LABPFVSZEQKTGG-UHFFFAOYSA-N 486.527 2.465 10 20 JECD O=C(COC(=O)c1ccnc(F)c1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 743189837 RUXXKXLWFKPWOB-LZYBPNLTSA-N 489.506 2.124 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(OC[C@H]4CCCO4)c3)CC2)cc1 743432207 JBRFKHXOHACZPN-XMMPIXPASA-N 482.581 2.130 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc4oc(=O)ccc4c3)CC2)cc1 906480322 CZZFPPHHLAXKEN-UHFFFAOYSA-N 457.552 2.292 10 20 JECD CN1CCN(C(C)(C)CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 916259026 QQABWOPHLFRLEE-UHFFFAOYSA-N 457.541 2.367 10 20 JECD COc1cc(C(=O)NCC(=O)NCc2ccc(N3CCSCC3)cc2)cc(OC)c1OC 917386100 OSZNABQLBGXURG-UHFFFAOYSA-N 459.568 2.312 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1cccc(CN2CCCC2=O)c1 918440174 OTMRESDZDLGTRC-UHFFFAOYSA-N 468.529 2.164 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cc2F)C[C@@H](C)O1 918989837 IKIRPANVCLUGEA-LMMKCTJWSA-N 475.561 2.390 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3cnn(-c4ccccc4)n3)cc2F)C[C@@H](C)O1 918992450 PSBJCMKSRPETER-IAGOWNOFSA-N 467.501 2.493 10 20 JECD O=C(CN1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1)Nc1ccccc1 919790567 SDOHXNSDPWUGAN-UHFFFAOYSA-N 451.571 2.426 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(F)c(S(C)(=O)=O)c3)cc2F)C[C@@H](C)O1 919945478 IOELTXZNOJJMOI-OKILXGFUSA-N 474.551 2.460 10 20 JECD CC1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)CC1 1778126883 NHFRHNZKAVLSMZ-YIXXDRMTSA-N 495.624 2.025 10 20 JECD CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781121450 WQTMWLBTGXUFDY-YQXROLDKSA-N 453.967 2.252 10 20 JECD Cc1ccc(CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)cc1 1781870196 HUQROMJQUFTYSS-NTKDMRAZSA-N 489.663 2.302 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)C2)C1 1782858158 LULROLRBMALKBO-HJPURHCSSA-N 457.914 2.320 10 20 JECD COc1ccc([C@H](O)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)cc1 1783768970 KMFIVVLVGBPPPG-XWIOLROMSA-N 490.940 2.087 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)nc1)CCO2 1785508438 FHQVADCIEHPFJK-XRRIUQSZSA-N 493.438 2.374 10 20 JECD C[C@H]1CCC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1788237366 SPBAYEAOLXIJBE-DFPMAUPISA-N 452.555 2.195 10 20 JECD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C[C@@H]21 1788564110 HEZKCSYREZEGAK-OHCFRWENSA-N 495.624 2.395 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cccc(C(F)(F)F)c1 1789551936 SLNKGESCTCTIBF-JQFCIGGWSA-N 465.428 2.419 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790245604 QVPBFUPJZFAXDX-YEWWUXTCSA-N 497.976 2.259 10 20 JECD O=C(Cc1ccc(Cl)s1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1793907580 MSWUGRTXLNQWJY-NHEOTCHKSA-N 478.954 2.364 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C1=NN(c2ccccc2)C(=O)C1 1794027682 BHGVKNSILRFTNS-HXHBTQRASA-N 491.592 2.209 10 20 JECD CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796603222 FAUMJMUYGMOBRD-ZPUCZNJJSA-N 472.542 2.143 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccc(-n2cccn2)nc1 1796934456 GOIJNNPMXGWWPT-NUZGMZIFSA-N 483.532 2.312 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(Cl)ccc2c1OCO2 1797458391 HNXQRFBUXPXSBC-ZSBIGDGJSA-N 481.983 2.181 10 20 JECD CCCC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)cc1C 1798534997 ZTOHHEYXKBRGAR-FEJSZKPUSA-N 482.537 2.057 10 20 JECD COC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1802598317 CCTMFJOKJRUOEC-XMSQKQJNSA-N 463.538 2.305 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnoc2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468121 ONPUUDYJNBLPDU-VGSWGCGISA-N 458.478 2.182 10 20 JECD CO/C=C(\C)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1810145197 XBSAXGBXIBHIAH-IQPBZMAQSA-N 461.522 2.431 10 20 JECD CC(C)(C)NCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814161917 CTQDNSLPIHUOFT-BSIOYPLDSA-N 468.554 2.306 10 20 JECD Cn1ccc(=O)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1820171727 LWLFROBLDTVHSO-DBWMJRBXSA-N 479.493 2.245 10 20 JECD CC(C)CNC(=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823710849 MRTYGVQCHWOJGP-LLVKDONJSA-N 466.947 2.206 10 20 JECD O=C(CC1(O)CCC1)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1827334230 CQLRDVYKDMRDDJ-CQSZACIVSA-N 467.551 2.153 10 20 JECD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)C1 1827423935 KYRPDTMBIUGVTK-SCTDSRPQSA-N 459.543 2.315 10 20 JECD Cn1cnc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)c1 1827715200 ILLUIFKPUKWUCS-JOCHJYFZSA-N 462.554 2.446 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccc3nc(CO)[nH]c3c2)CC1 1828098149 KLFTZDHKMLJXHN-HXUWFJFHSA-N 479.537 2.409 10 20 JECD O=C1CCCCN1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1831764982 UHSBCALOEKDERS-HSZRJFAPSA-N 493.608 2.412 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc[nH]n2)CCO3)cc1 1831766375 BRXXXEQGFPWRLC-RUZDIDTESA-N 463.538 2.201 10 20 JECD O=Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)s1 1835946786 UZOBZMXFECXWCE-OAQYLSRUSA-N 480.926 2.009 10 20 JECD CC1(C)Cc2cccc(C(=O)N3CCCC34CN(C(=O)CN3C(=O)CSC3=S)C4)c2O1 1843301882 GJGQOGZTLSJERM-UHFFFAOYSA-N 459.593 2.077 10 20 JECD Cc1ncc(C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C2)[nH]1 1844251798 YGLGNFILQSASMW-QGZVFWFLSA-N 499.568 2.082 10 20 JECD O=C(Cc1cccc(OC(F)(F)F)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055735 PSORDIJQHFIDOA-UHFFFAOYSA-N 487.525 2.191 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)c1sccc1S(=O)(=O)N1CCSCC1 109287733 XGSCZQXCNAWJBZ-UHFFFAOYSA-N 467.638 2.252 10 20 JECD Cc1cc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c(C)n1-c1ccc(C#N)cc1 303185225 LAIWIQXPHJQNON-UHFFFAOYSA-N 457.538 2.225 10 20 JECD Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 749577461 UHLSMPYQJRMFMX-UHFFFAOYSA-N 470.551 2.241 10 20 JECD COc1ccc(Cn2nccc2N/C=C2\C(=O)NC(=S)N(CC(C)C)C2=O)c(OC)c1OC 814316386 LNVICIUHRIMDTN-XNTDXEJSSA-N 473.555 2.152 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)cc2)C1 917832912 IACKWRYMOLDWAF-NZQKXSOJSA-N 484.622 2.248 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CC(=O)N(c4ccc(CC)cc4)C3)nc12 918877765 DIBJQXUZSHIDMS-OAHLLOKOSA-N 452.467 2.270 10 20 JECD CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 919778490 DAFKUQOHQJZQFP-IBGZPJMESA-N 489.642 2.176 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 919814143 CYKMRFLULAAISD-UHFFFAOYSA-N 450.492 2.329 10 20 JECD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 920889098 LSNCMRMWMSTDHN-QGZVFWFLSA-N 474.583 2.027 10 20 JECD CCCC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1779520811 HSRFSPFWOUURTH-FPULEUEGSA-N 481.977 2.184 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)cc1 1781751564 UEMACXUAMOFJFW-RUZDIDTESA-N 461.522 2.347 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cn3cc(F)ccc3n1)CCO2 1782005400 CUHMNUOZFFFHID-JOCHJYFZSA-N 474.876 2.295 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1782008189 RRKVVNQNRXTHNG-QHCPKHFHSA-N 483.912 2.089 10 20 JECD O=C1CCc2ccc(C(=O)N3CC[C@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)cc21 1782313988 ITYHMRSPNVZHNN-ZWDKTXKMSA-N 478.501 2.089 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccncc1F)C2 1783222346 OPKKSNQWELOSMG-OFAFLBDBSA-N 471.485 2.178 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 1783410386 OMNGQERXFWRSKW-JEQSIAOHSA-N 478.545 2.452 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)CCCc1cccnc1)CCO2 1785509869 BCJKHWCLJFGJCP-PMDNVAFQSA-N 467.522 2.064 10 20 JECD Cc1oc(C(C)(C)C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792239248 BUWDPGWSZUZQHL-XIRDDKMYSA-N 493.651 2.339 10 20 JECD COc1ccc([C@H](O)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1792789350 NWIQBWRCMPBWCX-GHCZAOPSSA-N 476.533 2.160 10 20 JECD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2 1793250016 NYUVLZOJVLDQKU-IVSAIRAKSA-N 497.976 2.279 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-c3ccccc3)nc1)C2)c1cc(O)nc(O)c1 1796139519 BAPAUQFZIVMYQP-BBIADKPPSA-N 460.490 2.072 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1Cc2ccccc2CN1)C1=NN(c2ccccc2)C(=O)C1 1796815186 OIJRNSLQKBIYME-NQRVTCLYSA-N 471.561 2.132 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cnc2[nH]ncc2c1 1796934610 QAHZSFVSTUZENY-GGPHIMKMSA-N 457.494 2.003 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc(Cl)cn1 1798068695 IFIQGQDKAWDIRP-DPIQGUFMSA-N 452.294 2.317 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1802573439 FLAWJFMATIMGEK-OWLYRPNTSA-N 474.558 2.392 10 20 JECD CN(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccccc1Cl 1804335922 GIUGXPBXSGBRGV-IGMJJTELSA-N 495.070 2.441 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cc[nH]c2nccc1-2 1808075574 WGQXXKLRWWYALO-QRWLVFNGSA-N 494.602 2.089 10 20 JECD CC(C)CNC(=O)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811804379 VZXBQCHDQJFWGA-BEFAXECRSA-N 474.945 2.238 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cccc(F)c1 1811807643 FFJOQHJPNMVFFH-UZLBHIALSA-N 472.567 2.401 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812028420 UFVUZVCGANWVOO-OYHNWAKOSA-N 493.476 2.443 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1cccnc1 1814164252 WKDXFYCTNMFNIC-JVZQGOEESA-N 493.476 2.468 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3CNc4ccccc43)sc2C1)c1cc(O)nc(O)c1 1815032323 OQMWVTLFUIAMGT-GXTWGEPZSA-N 451.508 2.384 10 20 JECD Cc1nn2cc(CC(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)nc2s1 1815508738 MQZLINVOKHISIM-OAHLLOKOSA-N 482.526 2.177 10 20 JECD COc1ncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cc1F 1816152547 MAZXKQFFEIGYEN-CQSZACIVSA-N 492.558 2.119 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1cnsn1 1816165790 CQLJZOVAXPUOOP-KRWDZBQOSA-N 464.511 2.360 10 20 JECD Cn1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1C(F)(F)F 1816724706 BNXZOAKUVYIDOA-SECBINFHSA-N 482.444 2.241 10 20 JECD NC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccccc1 1817401607 UWGCLPXAEQTUPI-WMZOPIPTSA-N 450.499 2.264 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2nc(O)n3c2CCCC3)[nH]n1)c1cc(O)nc(O)c1 1817846443 YFWHOJVSJAUUPF-CQSZACIVSA-N 467.486 2.074 10 20 JECD C[C@@H]1CCc2c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CN4C(=O)CSC4=S)[nH]n3)n[nH]c21 1818641411 NLUPZMHRERITJB-RISCZKNCSA-N 487.611 2.349 10 20 JECD O=C(CCN1CCOC1=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716203 FKMWCXXAETWQRD-JOCHJYFZSA-N 495.580 2.241 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)CSc2nc[nH]n2)CC1 1832150950 RJJWIVCOLXDERT-HXUWFJFHSA-N 495.609 2.309 10 20 JECD C[C@@H](CS(C)(=O)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876978 QAAFQTBKFAVJTC-NWLOJRJCSA-N 494.610 2.117 10 20 JECD Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cn1 1832898743 XVIBJJVMDKVDAU-GOSISDBHSA-N 460.625 2.484 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1cnsn1)C2 1843330525 DAOPUXVNQUONPB-QGZVFWFLSA-N 486.598 2.073 10 20 JECD CC1CCN(c2ccc(CNC(=O)C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)cc2)CC1 731131504 LOZXYTMLQDXOCD-UHFFFAOYSA-N 484.622 2.379 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3nnn(-c4ccc(OC)cc4)c3C)CC2)cc1 742919863 KXNYBTOSNISHON-UHFFFAOYSA-N 450.543 2.145 10 20 JECD CCn1cnnc1SCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 750502038 SXAMEPZVMAOPQY-NVNXTCNLSA-N 477.593 2.136 10 20 JECD CCOC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)cc1NC=C1C(=O)NC(=S)NC1=O 814319811 AWNRKCZNRGRCLO-UHFFFAOYSA-N 491.547 2.444 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)CC2)cc1 915743328 BVJBNAADQKEJDF-UHFFFAOYSA-N 493.608 2.163 10 20 JECD CCS(=O)(=O)N(C)CCCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916580373 SGAVKIZPWIHLAO-UHFFFAOYSA-N 466.526 2.013 10 20 JECD O=C(COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)NCc1ccc(N2CCOCC2)c(F)c1 919144963 NHGCFAVPOFIXMH-UHFFFAOYSA-N 483.456 2.229 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCN(CC(F)(F)F)CC1 919785425 YFALWVDTTCULMC-UHFFFAOYSA-N 481.498 2.332 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 919792370 ZLZGHQYTBOYQEJ-UHFFFAOYSA-N 476.574 2.269 10 20 JECD COc1cccc(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919800409 RVDATVSKPSDRED-UHFFFAOYSA-N 464.501 2.206 10 20 JECD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccccc1S(=O)(=O)N1CCOCC1 919895478 MUGVMHSMIPIGLR-UHFFFAOYSA-N 484.622 2.492 10 20 JECD C[C@@H](NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)NCc1ccccc1 920055546 ZIDMXIVJPPQKES-LJQANCHMSA-N 491.571 2.446 10 20 JECD O=C(Nc1ccccc1CN1C(=O)CCC1=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 920786604 DEIOBJXSCRIERB-IBGZPJMESA-N 465.506 2.188 10 20 JECD CCc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)n(C)n1 1779767678 DKTDCANEZNRLIM-AUSIDOKSSA-N 476.961 2.488 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)cc1 1781753973 PCZDMEQJDBLSTA-SANMLTNESA-N 464.566 2.160 10 20 JECD CCN(CC)C[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1782696001 UUEOGQHFMLZLAZ-QRQCRPRQSA-N 453.967 2.173 10 20 JECD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)cc(C)c1O 1784993918 MJYYBYKXUYTMFF-AREMUKBSSA-N 476.533 2.245 10 20 JECD COC(=O)[C@H]1CCC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)C1 1790246057 IJJIUJKPTAEHKA-BHZNCXQASA-N 494.972 2.324 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1nc2ccccc2o1 1790346776 HQXXBGWDFYCUOG-ZJBJCVSYSA-N 487.516 2.214 10 20 JECD CC(C)(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c[nH]1 1794308407 BZEWABKXPHVQAW-ZLSBKTEHSA-N 469.538 2.346 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccsc3[nH]1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480659 DHKNYCKDYGLBKJ-VPTLXERWSA-N 477.546 2.226 10 20 JECD Cc1nn[nH]c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796748765 JEZMBCPORUQXJP-IYWMVGAKSA-N 497.600 2.083 10 20 JECD Cc1cc(NC(=O)CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)no1 1800714997 SDVHJBRNARWBGW-BTTYYORXSA-N 462.890 2.328 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCc2ccc(F)nc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993224 GYJAJFJKQBIZMH-SBUREZEXSA-N 465.485 2.374 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc2n[nH]cc2c1 1808022794 XJOCLTMIGPXJEE-IERDGZPVSA-N 494.602 2.138 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1n[nH]c2ccccc12 1809829644 DEUBYWQDDKESEV-BTYIYWSLSA-N 494.602 2.138 10 20 JECD CN(C)c1cccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1811832935 DQGOHISGSMTWIC-XMSQKQJNSA-N 497.646 2.328 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)C1CCC2(CC1)OCCO2 1812482799 AEHZUNAMSIGBSK-AVRDEDQJSA-N 482.537 2.141 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)C1CCC(O)CC1 1813198558 MJQROGSJQNOZTM-KQYLJYFWSA-N 481.549 2.469 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)n1cccn1 1813429291 IIEIBXSLYXRIMP-SLCYKOLNSA-N 477.521 2.375 10 20 JECD Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)nn1C 1817363597 JSEXRMXEUKCMAF-OAHLLOKOSA-N 491.577 2.133 10 20 JECD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n(C)n1 1817364804 ZMEDCHBKDNFARY-AWEZNQCLSA-N 477.550 2.204 10 20 JECD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817847782 XZHPRJPILBLKOE-FZKQIMNGSA-N 496.499 2.479 10 20 JECD COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)n1 1818389439 ALOLKKQCSJAXQX-CYBMUJFWSA-N 483.441 2.147 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ncccn2)[nH]n1 1823476839 QOVVGUNLOHTRPQ-IQIBNGDESA-N 464.482 2.265 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2S)[nH]n1 1823496101 DKBXGFLDQCWHPE-ZDUSSCGKSA-N 476.609 2.260 10 20 JECD CC(C)N1CCC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)CC1 1823497445 VXEMOSDNNLETQN-QGZVFWFLSA-N 492.671 2.383 10 20 JECD C[C@H](Cn1cncn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1829053385 VXSXJLUTJRZHHX-AUSIDOKSSA-N 491.596 2.327 10 20 JECD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)c1ccccn1 1839433427 UVMHTAGTXDDVQB-WNSKOXEYSA-N 475.929 2.020 10 20 JECD C[C@@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)CC=CCC1 1840559902 VTZWXUMMXQTRSI-PHAMHXOGSA-N 472.538 2.019 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccccc43)C2)C1 1840881062 AZJUWIVTLAKVAD-ASBBRDEUSA-N 494.544 2.003 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C4CC4)cc3)C2)C1 1840881482 VQXWZRVTLRTUNK-XATMQCHFSA-N 494.544 2.464 10 20 JECD O=C(c1cn2cc(C(F)(F)F)ccc2n1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249526 TWEDHKWSFFFFIR-UHFFFAOYSA-N 461.400 2.290 10 20 JECD CCc1c(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cnc2ncnn12 36753050 PHZNWACPQTUYDM-UHFFFAOYSA-N 455.430 2.258 10 20 JECD COc1cccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2I)c1O 729858637 AOCADIYUEKRXLD-UHFFFAOYSA-N 490.319 2.186 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCNC(=O)c3ccc(Cl)cc3)cc2)C1 918006498 YWEKGJWSEFQUSN-GOSISDBHSA-N 457.962 2.271 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 918312069 ZULNIDVQYXUPTP-UHFFFAOYSA-N 480.565 2.122 10 20 JECD CN(C)CC1CCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 919785452 ZAOYDRUPXKEETA-UHFFFAOYSA-N 455.582 2.426 10 20 JECD COC(=O)c1n[nH]c2ccc(NC(=O)/C=C/C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc12 920255062 PPLJGQOYMUJUFQ-MDZDMXLPSA-N 463.494 2.202 10 20 JECD Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)n[nH]1 1779461065 ANHPTPDWEHIJRP-XMSQKQJNSA-N 462.934 2.153 10 20 JECD CCc1nc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)co1 1779828511 NYTOXJZYOWKZIJ-BUTSGQJWSA-N 471.510 2.195 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cc3cccn3cn1)CCO2 1782005645 SITRJPGJOJZOFH-QFIPXVFZSA-N 456.886 2.156 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1782007407 FHFBSUMMZTYTJQ-KRWDZBQOSA-N 459.724 2.122 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007544 HGRUWOQBZZMHPL-DEOSSOPVSA-N 487.940 2.450 10 20 JECD Cc1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783222390 RTZPZVXIJMFNOP-PLOYQGSLSA-N 467.522 2.348 10 20 JECD Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1[N+](=O)[O-] 1785509961 JRZUJBHXLNOVGU-NHDFZSDJSA-N 497.504 2.106 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1785510679 XVSBEBOWJRIGQC-UHKOZYILSA-N 488.924 2.034 10 20 JECD O=C(Cc1cccc(F)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1786522436 VRIGHOPUJORKEU-HARLFGEKSA-N 478.524 2.141 10 20 JECD Cc1ccc(OCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)cc1 1787539026 GKQIGGFENJFUFI-APTRMMRNSA-N 490.560 2.146 10 20 JECD N[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1)c1cccnc1 1788096808 OFPOPSHTQYULGP-SFHVURJKSA-N 483.619 2.466 10 20 JECD CS(=O)(=O)Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)cn1 1796539351 QIAGQAXPLROXFP-BJWYYQGGSA-N 493.969 2.256 10 20 JECD Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(C(F)(F)F)n1 1798787570 GMMXLRSZAPMOHJ-RBVVOMGSSA-N 488.470 2.484 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1-n1nccn1 1800583260 GXWRLUCCPCBYTQ-GFPDGJBOSA-N 475.505 2.349 10 20 JECD COc1ccc(Cl)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1 1802082375 HOMFJNDMUDEPJI-GCZWLPJRSA-N 488.924 2.382 10 20 JECD Cn1ncc2c(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)cccc21 1809437042 WASIQXNCKLDEEM-MWTRTKDXSA-N 472.505 2.408 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2c2cccnc2)cc1 1811264399 MPZMSJGJAIIDHM-WIOPSUGQSA-N 484.564 2.495 10 20 JECD CN(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1811919248 NVVYJNSPRCBKNS-AVRDEDQJSA-N 497.646 2.328 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)C1=COCC1 1813596947 VOYAIFODGGNXPJ-JEYNVIPUSA-N 451.479 2.222 10 20 JECD COCc1oncc1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814164262 WXFKIHOVZLQMGE-CJOSSSAMSA-N 494.504 2.366 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cncc(O)c2)[C@H]1c1cccnc1 1814166222 NZHKLPJKJFPIRN-GEROHTISSA-N 476.489 2.332 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)COCc2ccccc2)[C@@H]1c1cccnc1 1814185560 CPUQVWVDBMGVLS-WMZHIEFXSA-N 498.630 2.165 10 20 JECD CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)C(=O)OC(C)(C)C 1814235231 YMOUVDBTGCTHCP-GFCCVEGCSA-N 477.543 2.042 10 20 JECD CC[C@H](C)[C@@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1814851626 AUUODDQFWKLSFR-LRDNONRASA-N 468.583 2.221 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccn2ccnc2c1 1819138361 OYHWGLQGRJOYMI-CYBMUJFWSA-N 450.480 2.137 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)CCN2CCOC2=O)[nH]n1 1823475552 WTDQYURJKRBIOQ-BIENSFFJSA-N 485.497 2.074 10 20 JECD C/C(=C\c1cccnc1)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828249483 ILIFPRTWYOSTKO-WEKMIXOTSA-N 487.632 2.414 10 20 JECD CC(C)O[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1829028265 QEYRPPOLQBEXJA-WBVHZDCISA-N 455.646 2.280 10 20 JECD Cc1nn(C)c(C)c1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1832228950 GRAXRGRHYOAWIM-HXUWFJFHSA-N 455.559 2.319 10 20 JECD O=C(CCCn1ccnc1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900978 ZEONWBVQYXUKLZ-GOSISDBHSA-N 477.656 2.143 10 20 JECD O=C(c1ccncc1F)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902434 LXWBQQOKQSIOHI-QGZVFWFLSA-N 464.588 2.314 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)[C@H](O)c1ccco1)C2 1843330974 WSNWTYQGEDVXPT-TZIWHRDSSA-N 498.580 2.235 10 20 JECD Cn1ncc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1C(F)(F)F 1843441259 IFUJUOASZGZZIQ-UHFFFAOYSA-N 474.443 2.049 10 20 JECD O=C([C@@H]1CCc2ccccc2[C@@H]1O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034207 FHUZMRFDJUTODN-CDDWAKIKSA-N 464.518 2.316 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CSc3nnc(-c4cccs4)n3C)nc12 726824719 CCBRTXONYKCDOM-UHFFFAOYSA-N 474.524 2.304 10 20 JECD COc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(C(=O)O)c2)c2cccnc12 728015794 VIWNVTSAHHEEJR-UHFFFAOYSA-N 451.482 2.114 10 20 JECD Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C)n1-c1cccc(C(C)C)c1 728699416 UJTBHEUEXYVTGP-XZOQPEGZSA-N 459.612 2.445 10 20 JECD C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)cc2)C[C@@H](C)O1 747011621 DEEVEIQQJJARTF-IYBDPMFKSA-N 456.518 2.396 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 748436107 MOIDKIZZYGKQRC-UHFFFAOYSA-N 487.500 2.252 10 20 JECD O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)NCCCN1CCCC1=O 789327929 RJUBYHZDDAALOW-UHFFFAOYSA-N 468.893 2.401 10 20 JECD O=C(COC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NC(=O)NC1CC1 913363865 SUKSMIYCMWOESU-NTUHNPAUSA-N 498.380 2.182 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 916676760 QTAXECUBYZQLSR-UHFFFAOYSA-N 491.635 2.026 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCCNC(=O)c3ccc(F)cc3F)cc2)C1 917834578 KOCZGWXQYOEBIF-KRWDZBQOSA-N 458.509 2.493 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 917919333 ZQKBQABBJSTCPK-UHFFFAOYSA-N 485.603 2.171 10 20 JECD CCCC(=O)N1CCC[C@@H]1C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917991809 UTGSMHPDQDIBSP-XGHQBKJUSA-N 463.550 2.390 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cccc(Cl)c1N1CCOCC1 918284024 UVIMNMDPEHARJA-UHFFFAOYSA-N 476.936 2.407 10 20 JECD COc1cccc(C(=O)NCC(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 918973704 HXWJEZYWDMZQCM-IAGOWNOFSA-N 487.528 2.037 10 20 JECD CN1CCCC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781119686 WJAGDDOYIFZJLT-GEQKSPFYSA-N 465.978 2.363 10 20 JECD CC(C)Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)cc1 1781920629 DCBJJCLWJXKZCD-HSZRJFAPSA-N 475.636 2.189 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(O)cc1)C2 1783218141 CCRSTKFWIPWYHA-PXRSACAISA-N 498.532 2.115 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@@H]1C1CC1)C2 1783218432 OPEWPFMOZAXWST-QHPIKOMCSA-N 456.539 2.377 10 20 JECD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1785344253 IDQXEUYKUWWHAO-HJPURHCSSA-N 497.976 2.498 10 20 JECD COc1c(Cl)ccnc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785507103 KZCBAXQUSQGLEW-OJZQOFKYSA-N 489.912 2.017 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccccc3o1)CCO2 1785509810 GJCQBZHGUGPKNW-HLZSCNFSSA-N 465.462 2.102 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(c2ccccc2)CC1 1793033709 ZGWQGJBTWXJSGD-FNLKRUPLSA-N 486.663 2.402 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncc[nH]1 1794835264 CZKKTEGCCLCIEK-MHORFTMASA-N 499.568 2.209 10 20 JECD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1)[S@](=O)c1ccccc1 1799768382 VNXPZYPKBZXEDE-VARUGVCNSA-N 492.981 2.151 10 20 JECD Cc1ccc([C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1800618890 GBTSKYONJQWOHU-MASGSYHESA-N 474.561 2.481 10 20 JECD O=C(Cc1ncccn1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1804695562 WZEFCPXNSIWLGG-QVKFZJNVSA-N 467.913 2.499 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)C1CCOCC1 1806697051 BPKUQTGBFKFTAS-RDPSFJRHSA-N 475.549 2.307 10 20 JECD CC(C)(C)NCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1807101821 VHVPWNGGWSBQPE-KBUQRTECSA-N 468.554 2.306 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc(O)cc1 1808425928 DPZCKIUFEBNOOY-VPKVUBIPSA-N 498.630 2.457 10 20 JECD Cc1cnn(CC(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)c1 1808468395 QEJHVZWSXYHAPC-NBGIEHNGSA-N 485.548 2.085 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccn2ccnc2c1 1809873718 JIFWXXUBWNXEOF-HTAPYJJXSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccn(C(F)F)n1 1810908841 OQTUVPBQTIIAQK-SCLBCKFNSA-N 458.425 2.113 10 20 JECD C/C(=C/C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)C(=O)O 1811813690 VMEXXKCNZJPLEU-NYXQEMPVSA-N 459.886 2.497 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)CCc2ccco2)[C@@H]1c1cccnc1 1814184807 GQKQFADTWYNOSJ-IIBYNOLFSA-N 472.592 2.174 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814190020 OHXAQBVSSXBKQW-SGXKBVARSA-N 498.630 2.415 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)C1CCSCC1 1814239795 VNLJLSOUXWDTLE-VQIMIIECSA-N 478.665 2.091 10 20 JECD O=C(Cc1cnc2ccccn12)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1814834688 GKJDPYNRZRRTPV-KRWDZBQOSA-N 461.482 2.412 10 20 JECD Cc1nc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cs1 1816580820 SQOVBKRXAOPFGN-ZDUSSCGKSA-N 464.598 2.341 10 20 JECD CC(=O)N/C(C)=C/C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823712630 SHZISHDPRWOEQK-LHXVZLOVSA-N 464.931 2.473 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3Cc4ccccc4N3)sc2C1)c1cc(O)nc(O)c1 1824780353 BHOHUCUCARMFRS-CJNGLKHVSA-N 451.508 2.212 10 20 JECD Cn1c(=O)n(C)c2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)ccc21 1827427000 AFLBJAPZCDELRI-LJQANCHMSA-N 493.564 2.230 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCCS2)CC1 1832442198 XBBRNHVNLBCTEA-HZPDHXFCSA-N 455.671 2.362 10 20 JECD Cc1nc(N)sc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898310 KAYLPSXRAUSQAJ-CQSZACIVSA-N 481.669 2.127 10 20 JECD CCOc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 10906438 RFQMAOXGNHGTPG-UHFFFAOYSA-N 461.584 2.249 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(Cn4cccn4)cc3)nnc2n1 108862879 WUJRANDSMKIRMT-UHFFFAOYSA-N 452.548 2.359 10 20 JECD CN1CCN(S(=O)(=O)c2ccc(NCc3ccc(N(C)C)c(F)c3)c([N+](=O)[O-])c2)CC1 303001226 OGPDLIQCNBHQQB-UHFFFAOYSA-N 451.524 2.348 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 726710895 XRELZIIFEVPJML-UHFFFAOYSA-N 453.591 2.203 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C3(S(=O)(=O)c4ccccc4)CC3)CC2)cc1 731340526 IOFAZUNXAHCVQZ-UHFFFAOYSA-N 457.596 2.330 10 20 JECD CCOC(=O)c1c(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)sc(C)c1-c1ccc(F)cc1 830020059 HTEFYXMPYKDSGP-UHFFFAOYSA-N 499.524 2.425 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c(C)n1-c1cccc(F)c1 913374078 MMIPFJBJXYWCOA-UHFFFAOYSA-N 464.453 2.219 10 20 JECD Cc1ccc(N)c(C(=O)OCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1 915403737 ICRHZKARWQOYLW-GRSHGNNSSA-N 499.570 2.480 10 20 JECD COc1ncccc1CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919785318 XLDHCFNRNNDSOI-UHFFFAOYSA-N 451.506 2.345 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 919821475 HSDIXJLJWSRIDV-IBGZPJMESA-N 488.566 2.149 10 20 JECD C[C@H](NC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCOCC2)cc1 920920191 JBHFLJZTGMUGAS-UWJYYQICSA-N 468.554 2.208 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1F)C2)C1=NN(c2ccccc2)C(=O)C1 1778128071 YDUOLNIIBZMILK-PXDATVDWSA-N 479.512 2.141 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)cc1 1782960850 UPFOLTHPXQTTSI-DHLKQENFSA-N 485.606 2.115 10 20 JECD CC(C)(C)n1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)cn1 1787537481 XANUAACDQATQPI-XJABCFGWSA-N 492.580 2.024 10 20 JECD COc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)cc1C 1790242263 ZJRFCBYZDGJDOZ-AXHNFQJDSA-N 475.929 2.370 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)c(Cl)c1 1792017008 KSQVAGLZZUKWHS-IWEFOYFVSA-N 461.902 2.062 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@H]1CNc2ccccc21 1795621182 UVKWWTSDXIFNOI-IDLUEMFASA-N 457.914 2.164 10 20 JECD CC(C)(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)cc1 1796140167 DTWLNSOLSTUIRN-UPHUGPLXSA-N 455.511 2.187 10 20 JECD CC(C)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)CCC1 1796482572 JMQWDXBRDICNBR-OPMZPASUSA-N 452.555 2.195 10 20 JECD CC(C)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)C(C)C 1796931764 JDZNZYWOYGAZCZ-USKVXJDGSA-N 453.587 2.440 10 20 JECD C[C@H](Nc1nccs1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796934665 SOYKLIJCAZSWJN-ONIAQPFYSA-N 466.567 2.375 10 20 JECD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cn1 1805248898 RPOYHXABDCZENI-NTKDMRAZSA-N 483.532 2.293 10 20 JECD CC[C@@H](C)[C@@H](O)C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1806073999 LSXSDSJVRGOFLY-XMSQKQJNSA-N 454.571 2.418 10 20 JECD COc1cscc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1808812752 OXFJOIJWGQGAIS-LIRRHRJNSA-N 490.632 2.332 10 20 JECD CC(=O)Nc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1813891064 ZDNXMAZTANLVJZ-FDDCHVKYSA-N 475.505 2.480 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ncccn2)[C@H]1c1cccnc1 1814161553 AKLHDAQBOKSJFN-XZOQHERRSA-N 461.478 2.021 10 20 JECD Cc1nc(C)c(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1814186357 NYXOJAKYKQOFLW-YJBOKZPZSA-N 489.648 2.335 10 20 JECD COC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146210 WNWQIRYEKLEBIE-KXBFYZLASA-N 452.515 2.477 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2noc3c2CCCC3)[nH]n1 1823498032 LTCQBAZUDMJOMW-CQSZACIVSA-N 488.595 2.443 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2nccc3[nH]ccc23)[nH]n1 1823498227 OSSWWFUAXCKXMX-HNNXBMFYSA-N 483.579 2.452 10 20 JECD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)C1 1827423940 KYRPDTMBIUGVTK-ZHALLVOQSA-N 459.543 2.315 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cnnc3ccccc13)CC2 1828244749 PRKNLESSCPZSBE-LLVKDONJSA-N 498.615 2.172 10 20 JECD Cc1cnn([C@H](C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1 1832190122 OFRLRSHJDXFBRF-AEFFLSMTSA-N 477.656 2.233 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCc4ccoc4C3)CC2)CC1)c1cc(O)nc(O)c1 1834985965 SEUTYQVJLINVLT-QGZVFWFLSA-N 468.554 2.076 10 20 JECD Cc1oncc1C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837508661 XZGXSMOMWPYMDE-UHFFFAOYSA-N 479.537 2.388 10 20 JECD COc1cccc(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1837714149 MYYKRIZQRGIVRH-UHFFFAOYSA-N 469.538 2.356 10 20 JECD O=C(CCC(F)(F)F)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1837787913 PSYBKDOWXPBOTP-UHFFFAOYSA-N 481.562 2.188 10 20 JECD O=C(COC(=O)c1ccccc1O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 25454478 SNNKBWBBVIRPIV-VCHYOVAHSA-N 486.527 2.295 10 20 JECD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)C2=O 27572595 KHMFVHCFPVMGBR-CRICUBBOSA-N 472.586 2.391 10 20 JECD CN(C)S(=O)(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)n2)cc1 727248500 SWWAPVTUTQJEMP-UHFFFAOYSA-N 494.576 2.192 10 20 JECD CN(CCS(C)(=O)=O)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 728026160 AMBGYKPXKKVCCV-UKTHLTGXSA-N 477.427 2.153 10 20 JECD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 729285496 FAQPRXPOEFDXFC-LLGFUMIMSA-N 467.549 2.344 10 20 JECD CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 916608881 SYNMRPVVGLYCKD-SFHVURJKSA-N 461.492 2.270 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCC(=O)N3CCC(c4ccccc4)=N3)cc2)C1 917834827 QWKGVVQKIXKUDW-NRFANRHFSA-N 461.566 2.421 10 20 JECD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2F)C[C@@H](C)O1 917918273 MFHVTLCJIKROBM-HZPDHXFCSA-N 485.603 2.168 10 20 JECD CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NC=C1C(=O)N(CC)C(=S)N(CC)C1=O 920980242 FCXOUPNTEYVKNS-UHFFFAOYSA-N 481.644 2.440 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NS(=O)(=O)C(F)F 1323314552 FLRMIDHIIIWSEJ-UITAMQMPSA-N 471.326 2.319 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCCC1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126228 NALIOWKSLJKNIW-PXDATVDWSA-N 452.555 2.483 10 20 JECD CC(=O)C[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781122976 JJCKRKXPCXMEAZ-PFDOBSCMSA-N 452.935 2.494 10 20 JECD CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)CC1 1782008300 YMUNWZALJRATFM-QHCPKHFHSA-N 495.960 2.063 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1cc2ccoc2cn1 1790323879 DRSSVMNMOLVKTG-LTMIRXACSA-N 487.516 2.214 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1csc2c1CCCO2 1796090700 DHAVTDFDSOXECV-MFKICJERSA-N 494.573 2.069 10 20 JECD COc1cccc(Cl)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802082618 WKIVMZSTTGFEHP-CJVDLNEOSA-N 488.924 2.382 10 20 JECD CO[C@@H](C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccc1 1806450039 YLSBDVIZPZCQNQ-BVYCBKJFSA-N 498.630 2.335 10 20 JECD Cc1cnn(CC(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)c1 1807672908 CJNXEWJTOSQCDG-CTWZSZLHSA-N 477.521 2.123 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(Cl)c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992198 WGJZDRKIBCBDFC-RNODOKPDSA-N 469.885 2.275 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccn3ccnc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995209 FCMHWLMJRQAGJJ-IIBYNOLFSA-N 458.478 2.169 10 20 JECD COCc1oncc1C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361944 CGBJOLYTIUXIHJ-ZDUSSCGKSA-N 494.533 2.296 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccc(F)n1 1819738576 RUVHLVKJBBZYCF-ZDUSSCGKSA-N 462.532 2.110 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cn3ccccc3n2)CC1 1828059679 OADUYOPXIMABAN-SFHVURJKSA-N 485.635 2.428 10 20 JECD Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1832246490 HUWRAADZERWDJP-VBIRRTOMSA-N 496.560 2.214 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)C1CC(F)(F)C1 1833128964 ZSPQTHZWIYCFKV-UHFFFAOYSA-N 487.551 2.396 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cncn2C)CCO3)cc1 1834328596 LGDWZWSBFPVQRD-AREMUKBSSA-N 477.565 2.211 10 20 JECD COc1ccc2cc(C(=O)N3CCC(N4CCC(NC(=O)c5cc(O)nc(O)c5)CC4)CC3)[nH]c2c1 1834987685 VJHSXNHSATUKDG-UHFFFAOYSA-N 493.564 2.482 10 20 JECD Cc1nn(C)c(C)c1C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1836958357 JRYBFXFHJNYOSD-FNORWQNLSA-N 498.580 2.479 10 20 JECD O=C(Cc1ccc2c(c1)CCO2)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031834 PWEYIDYRGYEHDA-UHFFFAOYSA-N 481.549 2.283 10 20 JECD CCc1cc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)n(C)n1 1838476642 SQMQNZSEWUMGBI-FNORWQNLSA-N 498.580 2.425 10 20 JECD C[C@@H](Cc1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840471823 KVWBKFZVHNUSSE-WNSKOXEYSA-N 478.929 2.293 10 20 JECD CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250302 IQPMCUIBIGHYBA-UHFFFAOYSA-N 478.958 2.233 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1ccc(CO)o1)C2 1843331424 VYFDKQSEYAYSPC-HXUWFJFHSA-N 498.580 2.307 10 20 JECD C[C@@H](NC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(N2CCOCC2)cc1 726248386 ZIZIRPLGHMLQMP-VOIUYBSRSA-N 451.527 2.138 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(CS(C)(=O)=O)c3)cc2F)C[C@@H](C)O1 746989483 JPGXWKYXDJDSSF-HZPDHXFCSA-N 477.558 2.239 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)CC2)cc1 914803259 FJFOSHJDAIHIHD-JOCHJYFZSA-N 479.577 2.368 10 20 JECD CCN(CC)C(=O)N1CCC(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)CC1 915266387 KSIIJZIYQXJLMS-UHFFFAOYSA-N 459.635 2.497 10 20 JECD COC(=O)c1c(C)nc(O)nc1SCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917197065 LNGTWTUPMLNENR-CHWSQXEVSA-N 478.546 2.438 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc4c(c3)OCC(=O)N4)cc2F)C[C@@H](C)O1 918892238 WXCOYIIMVPZUMM-GASCZTMLSA-N 471.485 2.243 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccccc3SCC(N)=O)cc2F)C[C@H](C)O1 918915468 CFVNSNSBSKWFSF-HOTGVXAUSA-N 489.569 2.490 10 20 JECD Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c(C)c12 919971044 HESOFMXOZAQPNO-UHFFFAOYSA-N 455.534 2.228 10 20 JECD C[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 920866736 IAZNPDOHRKIKCI-BGYRXZFFSA-N 466.582 2.414 10 20 JECD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 1317919448 WTKQWXDRKFPSPU-UHFFFAOYSA-N 456.930 2.181 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1778510890 GIIQTTCSDHEYON-QFIPXVFZSA-N 456.886 2.385 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@H]1Cc2ccccc2O1 1778842946 OOGPIBDLYQCUGK-VLQISITRSA-N 494.544 2.334 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@@H](O)Cc1ccccc1 1781896554 VBOXKXJICJVJAX-BPYKYCOYSA-N 488.968 2.482 10 20 JECD O=C(c1ccc2nccnc2c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005687 VEWYYJKOHIGJLP-QHCPKHFHSA-N 468.897 2.452 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4ccccc4O3)C2)C1 1783839030 GIVMOKIZADPTJS-HOFKKMOUSA-N 488.544 2.003 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3c(F)ccc(Cl)c3F)C2)C1 1785164734 GXWXKPIMIBIFAU-HXUWFJFHSA-N 453.829 2.182 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)CCO2 1785510261 IXXRHSXKUSAMMQ-XKRNSNQCSA-N 464.518 2.450 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1cc3cccc(F)c3s1)CCO2 1785540942 SEZRUVUIJYDIQK-OAQYLSRUSA-N 493.607 2.344 10 20 JECD Cc1cnc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)cn1 1787342361 MCRUVHRKHCNDIG-UHFFFAOYSA-N 455.565 2.393 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)C2)c1cc(O)nc(O)c1 1796141252 UPAOSFJREHKCOO-VTEUUUEMSA-N 483.418 2.097 10 20 JECD CC1=CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1796479746 PICLTFIGHPBPMC-CROMWVBPSA-N 450.539 2.115 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cccs1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480979 GCZXRWOCIUJPFS-GMIJLADMSA-N 464.547 2.144 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Cl)cc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796481271 NPADSOXMJZOSCU-MRSFGVLCSA-N 480.952 2.265 10 20 JECD COc1ccc(Cl)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796482703 QSDLHSDRPKJODZ-RSQQPWMTSA-N 496.951 2.345 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cnco1 1803872754 IYAPUOOCJIWZPA-PEOKUMBASA-N 450.451 2.219 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccc2c(c1)CCCO2 1804340525 TZALZNNEAIEFEV-BJWYYQGGSA-N 459.593 2.124 10 20 JECD Cc1nscc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1805194128 WVGRWWWGMQMBRQ-RDTXWAMCSA-N 475.621 2.026 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ncccn1 1805784950 URXMPMXHBOXUQN-YQPNNZSJSA-N 461.478 2.021 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cccc(Cl)n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994335 ULBGWZHLZHBZLE-NYHFZMIOSA-N 467.913 2.499 10 20 JECD Cc1nn[nH]c1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811804424 WEWCJQRUKCHIFE-SCLBCKFNSA-N 456.890 2.206 10 20 JECD O=C(CCc1cc(F)ccn1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815843529 OQVSZYVUUVOFFC-INIZCTEOSA-N 490.586 2.429 10 20 JECD CCOC(=O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367254 UXBGNPDTUTUXSK-CQSZACIVSA-N 497.577 2.437 10 20 JECD CN(C)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817844029 NEOZCXZTPYEULZ-KRWDZBQOSA-N 451.487 2.297 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146417 HGRAONPYHMORBE-INIZCTEOSA-N 491.468 2.140 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2cccn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146673 XBYGATCWNYBIML-IBGZPJMESA-N 460.498 2.091 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)N1CSCSC1 1819964250 MPCRAPHBRPZOFL-ZYHUDNBSSA-N 481.625 2.218 10 20 JECD C[C@H](Cn1cncn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476160 SDZHTAPCNLXUBO-BKSCXVJVSA-N 481.513 2.160 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cnnc(Cl)c2)[nH]n1 1823496617 NDCFJKKZRPVUBU-GFCCVEGCSA-N 479.975 2.019 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)Cn2cnc3ccccc32)[nH]n1 1823499409 DZBHJMWJDODFFP-QGZVFWFLSA-N 497.606 2.312 10 20 JECD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)n1 1827428331 ORMSLEKWEPGTTM-IBGZPJMESA-N 483.569 2.027 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832875091 KFKPUPZWCSKEBN-OJYYBLKUSA-N 473.570 2.351 10 20 JECD COc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc(OC)c1C 1834988415 PFCUDMYYNRZNDA-UHFFFAOYSA-N 498.580 2.317 10 20 JECD Cc1nccnc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1836014619 GVMWZERYKILJNG-UHFFFAOYSA-N 473.961 2.349 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)no1 1837518939 ZDFMRBRMTKDKTF-UHFFFAOYSA-N 479.537 2.388 10 20 JECD CSc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1838287869 GQCVHNJMWXBIJJ-JOCHJYFZSA-N 493.969 2.252 10 20 JECD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442175 DCWSPMPKZJGJSO-UHFFFAOYSA-N 479.468 2.273 10 20 JECD COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 12590464 LPJYQGVCWHKKIU-UHFFFAOYSA-N 489.462 2.113 10 20 JECD COc1ccc(NC(=S)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1F 727979070 HAQRXKJKQQAUCW-UHFFFAOYSA-N 453.565 2.084 10 20 JECD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H](C)c2cc(OC)ccc2O)c1 728980044 UOQLRZXSBJFPMV-OAHLLOKOSA-N 463.556 2.039 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 749266653 XNDFLGLKYNUCOC-IBGZPJMESA-N 467.588 2.318 10 20 JECD CC(C)N1C(=O)c2ccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2S1(=O)=O 916745247 GGLTXCMHZGCBRB-UHFFFAOYSA-N 457.552 2.348 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCC3(NS(C)(=O)=O)CCCCC3)cc2F)C[C@H](C)O1 918201881 PNTIGBPRWFRNHU-IRXDYDNUSA-N 470.611 2.491 10 20 JECD O=C1COc2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)cc2N1 918278084 RQJJYILAKLWPOD-UHFFFAOYSA-N 478.427 2.128 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(C(=O)NC(C)C)cc3C)CC2)cc1 918279291 PLTATUSJIYYTAN-UHFFFAOYSA-N 495.624 2.409 10 20 JECD O=C(CNC(=O)c1cccc(F)c1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919761458 CDRDKQZDRZQYIX-UHFFFAOYSA-N 466.492 2.128 10 20 JECD CN(C)c1ccc(CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cn1 919783159 FWFMQWWAWMNHNL-UHFFFAOYSA-N 464.549 2.403 10 20 JECD O=C(NCCOCC(F)(F)F)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919784085 ZYXGIUUALANJJA-UHFFFAOYSA-N 456.444 2.320 10 20 JECD Cc1c[nH]cc1C(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 920580367 PENFQCSGQCQMGJ-IDUWFGFVSA-N 473.532 2.226 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cc3ncsc3[nH]1)CCO2 1782007034 HCAWUXFRUQCNMM-FQEVSTJZSA-N 462.915 2.446 10 20 JECD O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1783439042 ZKEXEXVDWJZQOE-VHFSOBRXSA-N 489.912 2.495 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)[C@@H]1CCC(F)(F)C1 1783460175 FIOIOPKWMJDGMU-KCBZAUGUSA-N 466.481 2.232 10 20 JECD O=C(CCCc1cccnc1)N1CC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1784671744 RYKMTKLUSSWAKJ-AREMUKBSSA-N 475.549 2.027 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccsc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539050 IGHMGTZLNUHLRA-VCOUNFBDSA-N 480.590 2.453 10 20 JECD C/C=C(\C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796307282 CDJCGLMNEQYINL-AIPHRGIXSA-N 486.613 2.260 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799770417 VWRJGYCSGKMNKA-BVVJYIAVSA-N 457.914 2.453 10 20 JECD Cc1nn(C)cc1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1803829003 DGJSMRIUDDSLTO-XZSBDORCSA-N 477.521 2.273 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)[C@@H]1CNc2ccccc21 1807173928 BLERCLCKIWMZCQ-QUZZAMIASA-N 459.506 2.417 10 20 JECD CC(=O)N[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1)c1ccc(F)cc1 1810546938 MZHFYVMXESQSJZ-JOCHJYFZSA-N 484.528 2.354 10 20 JECD O=C(COc1cc(Cl)ccn1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810547212 SEBZDUKKFMRHJZ-UHFFFAOYSA-N 460.918 2.465 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811796039 BHYPXMJLDQHXBW-XFQXTVEOSA-N 474.945 2.381 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CNC(=O)c2ccco2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803812 MDULCBZQWIIGDI-BTYIYWSLSA-N 498.923 2.489 10 20 JECD O=C(/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)NC1CC1 1811805842 DLVGWMLUXDJEQI-QDZKVSRNSA-N 484.940 2.301 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)[C@@H]1CCCS1(=O)=O 1812497420 JVECNIGZJKBVSW-JVPBZIDWSA-N 493.969 2.043 10 20 JECD CC(=O)Nc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1813894578 DGINEDTYYSKDRA-FDDCHVKYSA-N 475.505 2.480 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1c1cccnc1 1814166263 PJQTXDKHCNQOPM-UYIBYSMUSA-N 479.533 2.485 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc3cnccc3[nH]2)[C@H]1c1cccnc1 1814189468 QHGIYTSMANRFHV-BTYIYWSLSA-N 494.602 2.138 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3cccnc3[nH]1)CC2)c1cc(O)nc(O)c1 1816726385 VSLSKDWZNYGFBK-LBPRGKRZSA-N 450.480 2.365 10 20 JECD CSCC[C@@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818147705 FGXOUFORSHHSPY-RBUKOAKNSA-N 484.582 2.309 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2)c1ccccn1 1827075681 KLCOBIIFENDXTN-VXGBXAGGSA-N 475.621 2.114 10 20 JECD O=C(CCCc1cccnc1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1827103094 JICREOHCKKCJQS-AWEZNQCLSA-N 489.648 2.333 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cnc[nH]2)CC1 1827574365 OOKRFWNLJGYOEU-QFIPXVFZSA-N 462.554 2.365 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)Cc1ccc(F)cc1)CC2 1828242213 FAZQZGRUDMRZAE-CYBMUJFWSA-N 478.596 2.297 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ncn2)CC1 1829470229 NDIPREAJGQEGRP-HNNXBMFYSA-N 482.031 2.224 10 20 JECD CCNC(=S)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740704 VGCHDHFKCLHEKX-KRWDZBQOSA-N 483.034 2.469 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(N2CCC(NC(=O)C3(F)CCCCC3)CC2)CC1 1835468670 MBWNRFOVMWLUOS-UHFFFAOYSA-N 484.663 2.091 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3occ(Cl)c3c1)CCO2 1838614350 JSNXIGQSLDLBIS-QHCPKHFHSA-N 487.896 2.276 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)cc1 1839348384 QZMFNVVWPWQTEG-AREMUKBSSA-N 477.565 2.130 10 20 JECD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CC(F)(F)C1 1843249506 QTCMJJUQNMZLNN-OAHLLOKOSA-N 496.511 2.202 10 20 JECD CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1845852229 SDIOQWSCTCHGQZ-OAQYLSRUSA-N 482.537 2.261 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 105176440 XTIWQIGXESSIOZ-UHFFFAOYSA-N 475.611 2.373 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)NC(=O)c3n[nH]c4ccccc34)CC2)cc1 726374888 OXFWFPAUYYITMX-GOSISDBHSA-N 464.570 2.018 10 20 JECD NS(=O)(=O)c1ccc(CN2C(=O)/C(=C\c3ccc(-n4cncn4)c(F)c3)SC2=S)cc1 726627841 RQGLMIFQHKHLIQ-CAOOACKPSA-N 475.552 2.455 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCc3cccc(OC)c3O)CC2=O)cc1 727761241 PHATVLUWHCHAIF-QGZVFWFLSA-N 475.567 2.101 10 20 JECD COc1ccc(-c2noc(C[S@@](=O)CC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 729875472 BSCFOWZKHPECMZ-MGBGTMOVSA-N 470.551 2.351 10 20 JECD CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c1 747018252 XYDCSYYMOZIPNX-UHFFFAOYSA-N 465.598 2.396 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)CC2)cc1 748971597 STUYFPSPHQUQBJ-UHFFFAOYSA-N 486.638 2.485 10 20 JECD Cc1cc(C(=O)COC(=O)C2CCN(S(N)(=O)=O)CC2)c(C)n1-c1cccc(Br)c1 914899084 WHXKKQXOSYNHNP-UHFFFAOYSA-N 498.399 2.498 10 20 JECD CCC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 919477674 IFMYBHIUUCKLAX-XGHQBKJUSA-N 463.550 2.390 10 20 JECD CCCS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 919560302 RTULHERHGAJHFK-UHFFFAOYSA-N 493.557 2.287 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(CN4CCN(C)CC4)c3)CC2)cc1 920194029 LYXPMDRHXLCEBE-UHFFFAOYSA-N 465.598 2.120 10 20 JECD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 920880308 CLPTXUQBKKZBIZ-BVZFJXPGSA-N 450.539 2.476 10 20 JECD CC1=CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)CC1 1783248192 PZJZNRRICMEBOB-GSHUGGBRSA-N 465.641 2.107 10 20 JECD O=C(CCc1ccc(F)cc1)N1CC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1783596766 KVURGTWYTJVVPF-AREMUKBSSA-N 478.524 2.381 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(F)c1[N+](=O)[O-])CCO2 1785509773 DGRFZVCOWSPUKG-NKOINVLESA-N 487.440 2.008 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccoc1Cl 1789420628 FGUOQTSJRPWOOC-WCQKHNBBSA-N 462.886 2.357 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1cc(F)ccc1F 1789438069 VSGDOMLCYRSPOS-OHEPNIRZSA-N 482.487 2.351 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@H](F)c1ccccc1 1793721629 YZXMXUYVSZHECN-AAUAJYIVSA-N 464.497 2.080 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccccc3)[nH]n1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480573 JXVFJIDLCUZARN-HBNMSFMJSA-N 498.543 2.073 10 20 JECD CC[S@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799621022 ZCBYDDNLIFQPBN-FINLDYFPSA-N 471.623 2.456 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1occc1Br)C2 1802080132 MDPLVSLODSEWCF-ZAHULMEISA-N 493.310 2.076 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCCC=C1F 1802210169 YFJIDWGCQAXNLU-OZGBSPNSSA-N 472.492 2.115 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)C1(O)CCC1 1802470554 YKJKDXOZZMHBDR-OXFPBFHOSA-N 481.549 2.469 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cncn2-c2ccncc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991165 NIQGYTYSOYDLAK-GAJHUEQPSA-N 485.504 2.102 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CNc3ccccc32)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995344 YEAUTUBFTPPUBG-BTCOZLQPSA-N 459.506 2.417 10 20 JECD O=C(Cc1cnc[nH]1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1808257214 ZDBJLWROWNVFIP-VBKZILBWSA-N 455.902 2.432 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3noc4c3CCCC4)C2)CC1 1810582319 GKLIVNOVGYZLNN-UHFFFAOYSA-N 476.624 2.259 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)[C@@H]1CCCO1 1812846529 RHZRKELOKLXFBO-HARLFGEKSA-N 461.522 2.059 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1814028585 DTLRXDNBXCLFMD-IERDGZPVSA-N 485.541 2.122 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cc(=O)cco2)[C@@H]1c1cccnc1 1814162639 OQZXHHJOHKNECY-OUWGLZAPSA-N 477.473 2.185 10 20 JECD O=C(COc1cc(Cl)ccn1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816726465 WOGWTCWDECMGDZ-LBPRGKRZSA-N 475.914 2.303 10 20 JECD COc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c(O)c1 1816727083 CWEMBTDDVQMKNP-LLVKDONJSA-N 456.480 2.203 10 20 JECD CCCC(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361910 LDHMQOHECZTISJ-HUUCEWRRSA-N 496.593 2.153 10 20 JECD NC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccccc1 1817401598 UWGCLPXAEQTUPI-AEFFLSMTSA-N 450.499 2.264 10 20 JECD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821290906 DXWWAFHDRWJUPO-XHDPSFHLSA-N 499.977 2.108 10 20 JECD C[C@@H]1Oc2ccc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cc(O)nc(O)c3)CC4)cc2NC1=O 1821398720 ZAPJDBAELIALCR-GWCFXTLKSA-N 495.517 2.208 10 20 JECD O=C(CCn1ccnn1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1822810640 MLBRMMUQMYSKON-HNNXBMFYSA-N 459.894 2.462 10 20 JECD CN1C(=O)CC[C@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1823053983 GACWPFSMFBUXAE-MFKMUULPSA-N 464.931 2.054 10 20 JECD O=C(c1ccnc2c1OCO2)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428544 VECKZMYDFAXBLP-QGZVFWFLSA-N 454.483 2.164 10 20 JECD O=C1NC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)CC2)O1 1830738548 UAXPCFFQHWRUGC-WBVHZDCISA-N 451.907 2.093 10 20 JECD CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)CCCCC1 1840123782 CHGNRXUZOVWFPN-AREMUKBSSA-N 482.581 2.206 10 20 JECD C[C@H](C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[S@](=O)c1ccccc1 1845776412 GLWSVDHNFROASC-JTYJAPAGSA-N 478.574 2.179 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3oc4ccccc4c3CS(C)(=O)=O)CC2)cc1 726658280 DHEJWEZXFSYBCU-UHFFFAOYSA-N 486.546 2.492 10 20 JECD COc1ccc(CN2C[C@H](C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2=O)cc1 726679649 IZWWBQYYKROFMK-HXUWFJFHSA-N 453.539 2.312 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)c1 731207759 UWOJGCMMZKZQLH-CPJSRVTESA-N 486.657 2.240 10 20 JECD C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)C1 731280832 DWFBZDFREFIPQS-FPOVZHCZSA-N 489.636 2.309 10 20 JECD O=C(NC1CCN(c2ncccn2)CC1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 915645007 IAQMEDIARUAPLX-UHFFFAOYSA-N 498.521 2.290 10 20 JECD COc1ccc(N2CCN(C(=O)CNc3ccccc3C(=O)N3CCC[C@H](O)C3)CC2)cc1 917824443 WLDZDFRHCUGZDZ-FQEVSTJZSA-N 452.555 2.053 10 20 JECD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 917834030 GQKSKQXWSWMXNR-LJQANCHMSA-N 472.611 2.395 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)cc2)C1 918001862 XYDYVCDLADFTQA-QPPBQGQZSA-N 483.588 2.400 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)N3CCCC[C@H]3CNS(C)(=O)=O)cc2F)C[C@@H](C)O1 918220025 GNCAOUHMJNJUSL-NUJGCVRESA-N 456.584 2.053 10 20 JECD COc1ccccc1C(=O)N1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 918224243 OYSJFYUPHHBKAO-UHFFFAOYSA-N 456.518 2.339 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc(OCC(F)(F)F)nc1 918440266 PSWSBJNTGIRWHU-UHFFFAOYSA-N 470.423 2.378 10 20 JECD COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 918465374 LBXJFSXLWFTAKV-MRXNPFEDSA-N 472.929 2.083 10 20 JECD O=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)NCc1ccc(N2CCOCC2)c(F)c1 919036546 FJRYODPDXLNNKA-DEOSSOPVSA-N 485.537 2.451 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 919791871 DWCKJAPKFZHRCH-UHFFFAOYSA-N 484.622 2.228 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(-c4csnn4)cc3)cc2)C1 920194717 WFWNJMSLXODGSD-KRWDZBQOSA-N 464.551 2.162 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 920924836 GLSROOLYSVJBCU-GOSISDBHSA-N 488.610 2.370 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(C(F)(F)F)n1)C2)c1cc(O)nc(O)c1 1777851023 KYGBXAPXSFEUCJ-IIBYNOLFSA-N 480.443 2.348 10 20 JECD Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)cn1 1783219957 KNONXYZTVYFLBX-ZYHKADTASA-N 481.549 2.277 10 20 JECD O=C(CNc1ccc(F)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1786813369 BGBWYNMQSGUICA-MIGYXXLQSA-N 485.512 2.048 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)c(O)c1 1789482253 NVUTUXRSJQXCCR-APXLUKDGSA-N 476.913 2.373 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790246082 JZXLDRDWFXJDHM-CYUZSUMBSA-N 450.944 2.220 10 20 JECD CC(C)(C)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)[nH]n1 1792218231 MUBOIZBBCXAHJB-TVGHNQMJSA-N 484.553 2.131 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccccc3)C[C@@H]21 1792218869 VNUQRRVZRBXLPJ-OONPCUATSA-N 466.534 2.429 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)c(Cl)c1 1792245516 YDKPKMMBUKSZRC-QRTARXTBSA-N 482.027 2.102 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccccc2)CC1 1792526563 KAUWZDDYMXNKGO-JWMIDBARSA-N 464.518 2.138 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncc(F)cc1F)C1=NN(c2ccccc2)C(=O)C1 1793811191 RJNCCTFHLWWEOR-ACHSLPGTSA-N 453.449 2.405 10 20 JECD Cn1ccc2cccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CN3C(=O)CSC3=S)C4)c21 1797585553 LDDNKFICHJFSMT-MUJYYYPQSA-N 456.593 2.290 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1=NN(c2ccccc2)C(=O)C1 1800661171 CYUNDZGDVRCECX-VBUUOAMHSA-N 477.477 2.345 10 20 JECD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O)c1cccs1 1802082600 VZMNKJQNDYZXTC-OFTYRASOSA-N 458.536 2.271 10 20 JECD CC(C)c1nc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)co1 1804840964 OHTTWXNKHSLYBF-DNVCBOLYSA-N 487.607 2.373 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccnc(Cl)c1 1805667988 GOBNXVKACBRVLP-DNVCBOLYSA-N 490.010 2.310 10 20 JECD Cc1nocc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1805820937 CBEIIXARYQRAPR-JPYJTQIMSA-N 472.505 2.491 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3cccn3cn2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995731 ICMLBBMGRSGQDH-KSFYIVLOSA-N 458.478 2.169 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1807998238 BJJFIMABXYHQJR-MHECFPHRSA-N 499.531 2.410 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2cccnc2n1 1809725717 OGASNTCZDLUVKU-HTAPYJJXSA-N 470.489 2.464 10 20 JECD CNc1ccc(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)cc1 1809726018 AWXRRXWQVGAFIE-UHFFFAOYSA-N 460.625 2.433 10 20 JECD CCc1ncsc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1811645140 XXBPKUFJLMEQNI-KDOFPFPSSA-N 489.648 2.280 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cccc(O)n2)[C@H]1c1cccnc1 1814161648 AVFDEWJBCFZHMK-XFKNCTKQSA-N 476.489 2.332 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2c[nH]c3cnccc23)[C@H]1c1cccnc1 1814189597 TVHFSBNCJKLGIR-BTYIYWSLSA-N 494.602 2.138 10 20 JECD Cc1nc2ccccn2c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1818085357 JXVMKKUDURQAKL-ZDUSSCGKSA-N 464.507 2.445 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1cc(Cl)c2nncn2c1 1819678549 AWCPUTLQUUWVOZ-LLVKDONJSA-N 485.913 2.185 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(Br)CC2)n[nH]1 1820945781 VRIFWCPHEQTPOJ-LLVKDONJSA-N 486.417 2.190 10 20 JECD CN1N=C(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CCC1=O 1821290788 CVUCTEFYOYHWSM-OAHLLOKOSA-N 474.905 2.388 10 20 JECD C[C@@H](Nc1nccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1827661038 XPVKSJUBFPYVBQ-ZBFHGGJFSA-N 495.696 2.424 10 20 JECD Cc1nccnc1C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828198387 ZYPRPZGRQDJUEA-MXPWBENCSA-N 467.507 2.298 10 20 JECD COC(=O)CCCCCC(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828250434 SEFFHWCJKZZNQZ-GFCCVEGCSA-N 498.652 2.039 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncc[nH]2)CCO3)cc1 1833720403 IPGHKJHMLJJEQA-RUZDIDTESA-N 463.538 2.201 10 20 JECD Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)nc1 1834262578 FQENXHWBYCZOHD-UHFFFAOYSA-N 488.592 2.368 10 20 JECD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)N1C[C@H]2C[C@H]2C1 1835672270 CWFXPMPZSFCJCH-RYQLBKOJSA-N 491.032 2.277 10 20 JECD O=C(C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)C1CC1 1836688687 YRZMIOZOURUQDS-UHFFFAOYSA-N 450.919 2.343 10 20 JECD Cc1ccc(CCC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)nc1 1837167319 UZSNFPFYPGVEBK-UHFFFAOYSA-N 468.554 2.441 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1838031638 YNEOVEXOEYHYMR-UHFFFAOYSA-N 483.521 2.190 10 20 JECD Cc1onc(-c2ccccc2)c1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1842366921 XTSPLOYGSDBWFW-UHFFFAOYSA-N 470.576 2.327 10 20 JECD CC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331318 JQHDCABNTVJGEG-HXUWFJFHSA-N 472.586 2.277 10 20 JECD Cn1cnc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1C(F)(F)F 1843441842 WNVFGNLQFOFHJY-UHFFFAOYSA-N 474.443 2.049 10 20 JECD N[C@H](C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)c1cccc(Cl)c1 1847039224 UELBEFTZQJAQOV-FNQPIQQGSA-N 457.914 2.373 10 20 JECD COC(=O)CCn1c(SCC(=O)NCc2ccc(N(C)C)cc2)nc2ccccc2c1=O 19299499 AERQZRCENGZLPE-UHFFFAOYSA-N 454.552 2.434 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 749025966 CWGJKFWGLBLNRC-UHFFFAOYSA-N 496.633 2.238 10 20 JECD O=C(CN(CCO)Cc1ccccc1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 754251540 VIDSHKBTUYJUGG-BKUYFWCQSA-N 499.614 2.227 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3cc(-c4c(C)nn(C)c4C)[nH]n3)CC2)cc1 915699609 PBGPGWJRRMSXGK-UHFFFAOYSA-N 451.575 2.378 10 20 JECD O=C(CN1CCC(NC(=O)c2ccc(F)cc2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 917020940 DNMOXIPYVAFKJR-UHFFFAOYSA-N 472.536 2.312 10 20 JECD C[C@H](CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)N1CCN(c2ccccc2)CC1 918007527 GANAPNBMEYGUDL-GGAORHGYSA-N 478.641 2.398 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)C1 918116822 AYVJCORTSUXOMX-IBGZPJMESA-N 466.542 2.328 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccccc1C(=O)N1CCCC1 918439516 MISXEVQMZAPRPJ-UHFFFAOYSA-N 468.529 2.278 10 20 JECD O=C(CCN1C(=O)COc2ccccc21)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919698240 YIDZWYPUQMJLOK-UHFFFAOYSA-N 490.539 2.374 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 919792056 NCPUNRCLDZCVOY-UHFFFAOYSA-N 464.613 2.237 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1 919809552 UYJVTDJTIACYAP-YVLHZVERSA-N 479.511 2.369 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 920188671 JRRYBHVQZUXCIG-UHFFFAOYSA-N 482.556 2.472 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccccc1CN1CCOCC1)c1ccc(N2CCOCC2)cc1 920925324 JEXGVXDQMVDMDO-LJQANCHMSA-N 452.555 2.171 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(-c2ccccc2)[nH]n1 1780150288 FXTWNCWSHKYVEV-CJFMBICVSA-N 477.521 2.324 10 20 JECD CCOc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c1 1780506612 RDDOETOJAOFAPH-NTKDMRAZSA-N 455.511 2.333 10 20 JECD CC(C)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)cc1 1780767925 INTUNPNJYOVSID-JOCHJYFZSA-N 461.609 2.114 10 20 JECD Cn1cc2cc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)ccc2n1 1782007671 KLRRNHBLUXZWIK-QHCPKHFHSA-N 470.913 2.395 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3nc4ccccc4o3)C2)C1 1782236743 BVHGGXRLHWSNQB-HLZSCNFSSA-N 465.462 2.102 10 20 JECD Cc1cc(F)cc(CC(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1784067556 VXSXHWBCEGNNFS-YQVIQHHGSA-N 470.497 2.337 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOC4=O)[C@H]3C2)cc1 1784280387 VMKRWGICJNSHFO-PMVMPFDFSA-N 480.565 2.140 10 20 JECD CNc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785508229 BGERBMCTPPWZLQ-ZHMUPQBKSA-N 453.495 2.002 10 20 JECD COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1F 1785510644 VIMPQDMNPRQOPT-CIFMFNLYSA-N 486.496 2.037 10 20 JECD CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1ccccc1 1786364333 UPYGGWSLGLHIHR-VJANTYMQSA-N 475.636 2.020 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)C1 1793098944 LIGKLUJHPOPJQL-CAVMOMJPSA-N 466.538 2.007 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc2cc[nH]c2cc1Cl 1797070517 SJNRYMSUVVXRPU-VTEUUUEMSA-N 456.886 2.145 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)NC(=O)CO2 1798111383 UMYYALXVSFXDSW-KFSMGIKGSA-N 479.489 2.100 10 20 JECD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1800577322 GZTJHBVPYRZNFT-WFGJHKILSA-N 456.539 2.233 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(F)(F)F)nc1)C2 1802081003 IRUBIKAODMHRKL-SUNZXIKVSA-N 493.438 2.134 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cc(Br)ccc1O 1804336125 VZZKXLIJZCNMRJ-CLLJXQQHSA-N 498.424 2.267 10 20 JECD COCC1(C(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)CC1 1805991953 NXOVQXNDZDJCOR-UHFFFAOYSA-N 452.555 2.437 10 20 JECD O=Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1807388543 QXURNASEWMQWCJ-AUUYWEPGSA-N 488.616 2.136 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2n[nH]c(C3CC3)c2F)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991017 MMNFCMDVXAZXEF-SPLOXXLWSA-N 466.473 2.261 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccc1 1811670855 KHVMLJYSHHZGTL-PXNSSMCTSA-N 454.577 2.262 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cncnc2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811798275 LVXBBBGRBCJYIN-IERDGZPVSA-N 467.913 2.499 10 20 JECD N[C@H](C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccccn1 1814163074 XTCKZOUPHNNRPL-IAARQISNSA-N 489.532 2.013 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)Cc2ccsc2)[C@H]1c1cccnc1 1814189673 VWUNRKFQKNXCPP-JXFKEZNVSA-N 474.633 2.252 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc(O)cc2F)[C@H]1c1cccnc1 1814189937 KZJLUOKNWZDDNB-VLIAUNLRSA-N 488.566 2.106 10 20 JECD O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816719924 ACVXVVRYKWVTDC-ZDUSSCGKSA-N 469.479 2.326 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2CCCCO2)[nH]n1 1823496070 CJESOSOTDYYYDN-HIFRSBDPSA-N 465.601 2.221 10 20 JECD O=C(Cc1ccc2ncnn2c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428360 WIADUODRTPPRPP-IBGZPJMESA-N 464.526 2.012 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)nc2)CC1 1829199399 WODLFOLNISWWPT-MRXNPFEDSA-N 464.588 2.314 10 20 JECD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)n1cncn1 1832212855 XBDGDMPWCPOVQO-ZEWDCPDSSA-N 469.542 2.289 10 20 JECD O=C(Cc1cccnc1Cl)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1832723304 KAWSUNBFXSBXIO-QFIPXVFZSA-N 496.347 2.112 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)C1=NO[C@H](c2ccccc2)C1 1835459274 RZUMNDDWBDLERP-QFIPXVFZSA-N 493.564 2.196 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1ccc2nncn2c1 1835583806 DMJDAABRKFGGFX-UHFFFAOYSA-N 498.971 2.293 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(F)F)no1)CCO2 1836244950 ZIPJDFONROGBSO-FQEVSTJZSA-N 487.843 2.061 10 20 JECD CC(C)(C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836691847 HQYHGXMOYFRIBJ-HSZRJFAPSA-N 484.597 2.185 10 20 JECD Cn1cccc1C(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1842363157 ZKDDFLHNMAVOCJ-SFHVURJKSA-N 498.580 2.389 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2n[nH]c3cccc(F)c23)C1 1845693026 ACUWKHGRDYQLTI-UHFFFAOYSA-N 460.469 2.312 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1COc2ccccc2O1 1847753406 FDLHCMKPLJNAQF-WLHKCWHESA-N 466.490 2.249 10 20 JECD C[C@H](C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)NC2(CCCC2)C1=O 726653614 HPUGVHZARHWPBS-CQSZACIVSA-N 489.484 2.197 10 20 JECD CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1S(=O)(=O)N1CCCC1 729062976 GWJDUDHLGNNVCA-HNNXBMFYSA-N 491.566 2.400 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(C)c(C(=O)NC(C)C)c3)CC2)cc1 731286678 XMXOWJYKCXUZTH-UHFFFAOYSA-N 495.624 2.409 10 20 JECD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c2ccccc2O1 747017418 GIBCSKWIRGMUQL-QFIPXVFZSA-N 450.539 2.006 10 20 JECD O=C(NCc1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 748481098 GLUIYPDINMWVMY-UHFFFAOYSA-N 471.560 2.456 10 20 JECD Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 917833548 ALHLMVGZLBXORY-CVHFWEDTSA-N 463.517 2.137 10 20 JECD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c2ccccc2O1 918437524 JARBSBYAUHYJNL-JOCHJYFZSA-N 482.606 2.176 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CCCNC(=O)c3ccc(F)cc3)CC2)cc1 920410853 GWDQLVBJCRKIPM-UHFFFAOYSA-N 457.502 2.236 10 20 JECD O=C(Cc1[nH]nc2c(Cl)cccc12)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1780545655 UCTLOYSVYJVCDO-HOYKHHGWSA-N 499.955 2.393 10 20 JECD COc1ccc(C2(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)nc(O)c5)CCO4)C3)CCC2)cc1 1781208398 GDZOBVHZHDQDRT-DEOSSOPVSA-N 467.522 2.067 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1ncn(-c3ccccc3)n1)CCO2 1782005426 FCLFTMAADOLNJT-HSZRJFAPSA-N 483.912 2.089 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C(F)(F)F)ccn1)CCO2 1785507375 OZVJFZGRCVMJCB-WYAMSBGYSA-N 493.438 2.374 10 20 JECD Cc1ccc2oc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)cc2n1 1785509221 PJUHNMFCKKWLLW-OGPASDKVSA-N 479.489 2.410 10 20 JECD NC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1)c1ccccc1 1790243294 DHOQKEWRPDEIQG-DBSRCYSRSA-N 473.957 2.087 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccco3)C[C@@H]21 1792217805 NPJMOEYGPBWOFR-XMDPJVLOSA-N 454.479 2.103 10 20 JECD Cc1nn2cc(CC(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C3=NN(c5ccccc5)C(=O)C3)C4)nc2s1 1793903590 XKKYTEQJGMVOII-IDHPPYADSA-N 491.577 2.073 10 20 JECD Cn1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)cc2c1-c1ncccc1OC2 1796393557 CFZIYRUJQBBDSN-BJWYYQGGSA-N 475.505 2.351 10 20 JECD Cc1ncc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)s1 1796935585 VKELLGHJRVJBHQ-VBUUOAMHSA-N 451.552 2.425 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cnc(-c2ccccc2)s1 1798253310 GIXBPFPLWNLAGN-CWPLJXCYSA-N 466.519 2.133 10 20 JECD COc1ccc(Cl)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1801667509 ZQWZFENGHGCKAM-GCZWLPJRSA-N 488.924 2.382 10 20 JECD COc1ncc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1C 1807990181 FYTCBQCLJNAXOH-KKSFZXQISA-N 463.494 2.233 10 20 JECD C[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1)N1CSCSC1 1810546548 ITFZFWKOMWALQD-OAHLLOKOSA-N 466.629 2.381 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cnn3c2CCC3)[C@@H]1c1cccnc1 1814166855 UPKUGSMDUKQTOV-TVFRQAABSA-N 489.532 2.374 10 20 JECD Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c(C)n1 1814190050 POSASJOLGMJTNR-UWJYYQICSA-N 483.619 2.273 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814191634 MMGFOAHXNNVBOR-BYCJELGNSA-N 495.630 2.446 10 20 JECD Cn1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)c1=O 1815415823 VUZZHDZGBIKQBJ-HXUWFJFHSA-N 487.520 2.207 10 20 JECD Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)nc1 1816545412 POEVRXQWWJBFDY-OAHLLOKOSA-N 458.569 2.279 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1818127626 ACYDPWPQJQOBDC-PXPBSWCZSA-N 471.514 2.099 10 20 JECD COC(=O)c1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)s1 1822436829 BBFRJKSOTGLNMM-LLVKDONJSA-N 488.547 2.266 10 20 JECD Cn1cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)cn1 1832276295 QKDFKKLPPPSCCI-IEJURRBGSA-N 468.554 2.413 10 20 JECD CCn1nccc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1834277138 BHVKVBADLTUIIO-UHFFFAOYSA-N 475.977 2.467 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C(F)(F)c3ccco3)CC2)CC1)c1cc(O)nc(O)c1 1834987352 LUZCFRMHYHPEBS-UHFFFAOYSA-N 464.469 2.063 10 20 JECD COC(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1841108310 WKPBPSPMVKDOCT-LJQANCHMSA-N 474.602 2.333 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cn3c(F)cccc3n2)C1 1845648506 UASYEIMIDOENGX-SOFGYWHQSA-N 452.442 2.121 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)COc4ccc(Cl)cc43)CC2)cc1 28065291 ZYKLGGSRFYNCGG-UHFFFAOYSA-N 472.973 2.403 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N3C[C@H](C)O[C@@H](c4ccccc4)C3)nnc2n1 109055896 XTFPTTFLIALOHU-GOEBONIOSA-N 456.576 2.464 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)c2C)cc1 762391519 TZXBTYGYKVOJSD-UHFFFAOYSA-N 497.529 2.104 10 20 JECD CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)N(C)C 915779201 XZNAPERYTZIMAI-UHFFFAOYSA-N 474.583 2.191 10 20 JECD CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918138744 RENWPLCWWKVJNP-FQEVSTJZSA-N 481.615 2.379 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 918441064 WCHYCCUTJQGTSR-UHFFFAOYSA-N 454.502 2.390 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCn3cnc4ccccc4c3=O)cc2F)C[C@H](C)O1 918921342 KXHYFYROJBPISS-ROUUACIJSA-N 496.539 2.399 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCn3c(=O)n(C)c4ccccc43)cc2F)C[C@@H](C)O1 918929807 AHEZQXSEPGLQRS-HDICACEKSA-N 498.555 2.342 10 20 JECD Nc1c(Br)cccc1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 919308885 IDLHJWZXRDRSMO-UHFFFAOYSA-N 466.307 2.480 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1778563805 RFXNIRSGAHGSBU-JOCHJYFZSA-N 460.918 2.041 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C3)cc1 1780988363 YAUADYPXUWSRDH-ROSOWXQZSA-N 466.582 2.356 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)nc(O)n2)CCO3)cc1 1781754011 PYIIKHBFOVWWNX-RUZDIDTESA-N 477.521 2.053 10 20 JECD Nc1ccccc1/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1786905632 COFBXXYPVUGQBJ-RTMRXWGUSA-N 487.560 2.055 10 20 JECD O=C(CCc1ccsc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1787020810 XEEZFUVQLVHTOP-VCOUNFBDSA-N 480.590 2.453 10 20 JECD N[C@H](C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1)c1ccccn1 1788043724 KETKMMRACKWOTK-IBGZPJMESA-N 469.592 2.076 10 20 JECD CN(C)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1794804357 KZVTVQOETZWQTK-GGPHIMKMSA-N 460.538 2.192 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cc(-c4ccccc4)ccn3n1)C2)c1cc(O)nc(O)c1 1796137914 JWJRXXZYFQFSJR-NXKWYNOOSA-N 499.527 2.325 10 20 JECD CC(C)c1nc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)no1 1796932557 JLRABEKGJZPYSV-VBUUOAMHSA-N 464.526 2.167 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NO[C@H](c3ccccc3)C1)C2)c1cc(O)c(O)c(Cl)c1 1799769354 IFQRRJSKXPMZSX-GQSCTRQFSA-N 485.924 2.472 10 20 JECD O=C(CN1CCc2sccc2C1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804271546 ULFPVKHROLRXAG-XDHUDOTRSA-N 493.589 2.327 10 20 JECD CN(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccc(Cl)cc1 1804336404 UYJPYIFGSJDOED-CLWJZODNSA-N 495.070 2.441 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3cc(O)nc(Cl)c3)C2)CC1 1807662519 RBCJSNSYXDPRMG-UHFFFAOYSA-N 483.015 2.146 10 20 JECD CC(C)(C)n1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cn1 1807989527 BJHQDAFRYNPYKR-KKSFZXQISA-N 464.526 2.473 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnc(-c3ccccn3)nc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993935 RDWKPNDGZPEODZ-GAJHUEQPSA-N 497.515 2.373 10 20 JECD COc1nc(C)ccc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807994839 KHVITWPJYZPMTR-IERDGZPVSA-N 463.494 2.233 10 20 JECD Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1810398025 WQKSHXLNNXFYJM-IBVKSMDESA-N 499.575 2.463 10 20 JECD Cc1c(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cnn1C 1814162975 SVTLRLKURRUOHL-LFXIQIKPSA-N 477.521 2.273 10 20 JECD CNc1nsnc1C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817357404 OXNDJNFOBKYRBU-NSHDSACASA-N 496.578 2.055 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1821741141 WRXLWSGQYWOQHL-LBPRGKRZSA-N 493.505 2.398 10 20 JECD COCCn1nccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823475084 KZHAYVVKGTXOBJ-JKNJVXJCSA-N 496.524 2.389 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823497424 DKJBQFSVLCNJJW-BBRMVZONSA-N 487.611 2.158 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)Cn2cccn2)CC1 1827209372 FYSGUIFOHYOBMP-JOCHJYFZSA-N 462.554 2.296 10 20 JECD CC[C@@H](NC(N)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1827568216 PEPGSUBSHIXDGL-SJORKVTESA-N 466.966 2.431 10 20 JECD CC(=O)O[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)C(C)C 1828198409 BSVNVFJTMOXBQV-SFGMFPBASA-N 489.550 2.473 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cn3cccnc3n1)CC2 1828198518 GXECKBSKSMPZAD-MXPWBENCSA-N 492.517 2.242 10 20 JECD CC[C@H](C)[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)c1ccccc1 1834930801 LHROIZBDMQNFKW-QFMFQJCFSA-N 483.565 2.393 10 20 JECD Cn1cc(F)cc1C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835132875 VXBNNHIZZIZWDR-UHFFFAOYSA-N 494.571 2.142 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)[C@H]3CCC=CO3)CC2)CC1 1838110507 RSGMSYUGEPMQRV-HSZRJFAPSA-N 480.565 2.471 10 20 JECD COC(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1841108799 WWFLDPQOBWABCE-QGZVFWFLSA-N 491.585 2.162 10 20 JECD COc1ccc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(OC)c1 1844871934 BLNJSQXXCRPWTL-UHFFFAOYSA-N 462.506 2.314 10 20 JECD CN1CCC[C@H](C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)C1 1845053739 IWVIBKDMUKZBCU-RBBKRZOGSA-N 499.656 2.250 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 10907981 HEOKCVFOENXKHA-UHFFFAOYSA-N 472.592 2.407 10 20 JECD CN1CCN(C(=O)C2CCN(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)CC2)CC1 726721370 DJLHQBGZXDGGFN-UHFFFAOYSA-N 479.572 2.452 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=S)NCCc3ccc4c(c3)OCCO4)cc2)C1 726749396 OGAHGZODVOFJDX-LJQANCHMSA-N 454.596 2.366 10 20 JECD CN(C)c1ccc(CN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C2CC2)cc1 917092139 MNQHGOAISGZZLW-UHFFFAOYSA-N 459.568 2.383 10 20 JECD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c2ccccc2O1 918461635 JGBAKSVPHFSXRX-QHCPKHFHSA-N 480.565 2.054 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@H]1CC(=O)N(C2CCCC2)C1 919697598 CIFGJOBHTJAOCZ-IBGZPJMESA-N 466.561 2.350 10 20 JECD Cc1oc2ncnc(O)c2c1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919761522 HBSQOLWAJFVLGI-UHFFFAOYSA-N 463.473 2.423 10 20 JECD CN(C)Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919799972 MWKLNGATWHNOAZ-UHFFFAOYSA-N 491.571 2.259 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 920190613 NAXQIVACPQDZPY-UHFFFAOYSA-N 451.571 2.175 10 20 JECD C[C@H](NS(=O)(=O)c1ccc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)cc1)[C@H]1C[C@H]2CC[C@H]1C2 920980690 WEQGUFHHHDQBTO-YRBFXIGRSA-N 460.556 2.136 10 20 JECD COc1ccc(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1OC 1777852068 AKMBFMCAKTYDII-MZNJEOGPSA-N 489.500 2.090 10 20 JECD Cc1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)ccc1F 1778126330 RYUQAWRPWRPLEF-ATIYNZHBSA-N 493.539 2.450 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@@]1(F)Cl)C2)C1=NN(c2ccccc2)C(=O)C1 1778127373 KFIGGXVLFZDEAF-DTJFYBITSA-N 476.936 2.218 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cccc(Br)c3F)C2)C1 1781564589 OSSQLJYSOGTOHG-FQEVSTJZSA-N 480.290 2.152 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncoc4c3)C[C@@H]21 1792218827 CJECWRLJJRWPTC-QOGCKDPTSA-N 479.489 2.251 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1796056294 DUVDLFOKKCMPPO-FNEHVWACSA-N 452.511 2.350 10 20 JECD Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796480854 XETDLMSTLSFBOU-VSVJTWGKSA-N 474.561 2.310 10 20 JECD CCOc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1OC 1802118904 LZLXQYFCOFQHDS-BJWYYQGGSA-N 491.635 2.135 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1ccon1 1805996588 VYXJYWRBOXFJSA-JTSKRJEESA-N 458.478 2.182 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccn(C(F)F)n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995216 NDQYIIKINPPLRT-ACJLOTCBSA-N 458.425 2.113 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])[nH]1 1811620618 YUQVFDKAEJPNBY-JVZQGOEESA-N 493.476 2.468 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1ncccn1 1816505583 BHAWITRKBOCHSU-PMGBHYCQSA-N 450.455 2.336 10 20 JECD CC(C)(O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1817060820 CNHISWOEHUOVOB-GOSISDBHSA-N 452.515 2.356 10 20 JECD CCC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)COC1 1824910366 FHSDJCYFMZWLQP-CQSZACIVSA-N 467.551 2.275 10 20 JECD COC1(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CCC1 1832499508 GQGMGMJXEORPLC-QGZVFWFLSA-N 467.657 2.426 10 20 JECD Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cn1 1832905009 CRIWANABGHAWPP-XMMPIXPASA-N 489.956 2.157 10 20 JECD CCOC(=O)c1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1836469314 QEHTXQHMFUDHCU-UHFFFAOYSA-N 496.564 2.169 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2c(Cl)cncc2Cl)C1 1840998230 NNKJMXMZSSQOCJ-UHFFFAOYSA-N 459.380 2.066 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)[C@@H]2CCc3ccccc3[C@H]2O)C1 1841386668 NGFONBYXXOBBQP-ZJSXRUAMSA-N 472.545 2.279 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2ccc(OC(F)F)cn2)C1 1842276852 NROFWRVYTLWJDY-XVNBXDOJSA-N 461.421 2.330 10 20 JECD COc1nccc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)c1NC(=O)OC(C)(C)C 1843250180 SQWOWYNFKRRYBU-UHFFFAOYSA-N 499.524 2.374 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)c1ccon1)C2 1844251580 IGFMXXDRURHDEN-QGZVFWFLSA-N 486.525 2.039 10 20 JECD CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1847037859 VRJRQMKTHNKKQV-VQHVLOKHSA-N 487.553 2.277 10 20 JECD O=C1c2ccccc2C(=O)N1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c(O)c(Cl)c1 1848086046 CCNZOIQFOFXEQC-ROUUACIJSA-N 483.908 2.253 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CNC(=O)c3cccc(Br)c3)CC2)cc1 23473183 WZVCTCMBTFTMDV-UHFFFAOYSA-N 490.354 2.080 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(CN4CCN(C)CC4)c3)CC2)cc1 726726909 DAZUPPBHBWQWHY-UHFFFAOYSA-N 465.598 2.166 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C)c(C(=O)NC(C)C)c3)CC2)cc1 731286096 QRFMYEIYRJEVMR-UHFFFAOYSA-N 481.597 2.019 10 20 JECD CN(C)c1ccc(CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc1F 746799057 YTVBFDWNBQFZBS-UHFFFAOYSA-N 461.563 2.278 10 20 JECD CCN(CC)C(=O)CSCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 824287855 ZOFGTMKCPQKNLS-YVLHZVERSA-N 495.648 2.334 10 20 JECD Cc1cc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccc(Cl)cc1 917330251 PCJZGYOQFAERJU-HXUWFJFHSA-N 494.013 2.236 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)N3CCN([C@H](C(N)=O)c4ccccc4)CC3)cc2F)C[C@@H](C)O1 918199592 JEOGNXJZVBJMOB-IECBHUPTSA-N 483.588 2.493 10 20 JECD CC(C)CN1C[C@@H](C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1=O 919076273 CMXUGEJHMJBIEA-SCTDSRPQSA-N 463.550 2.103 10 20 JECD CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 919840766 PHLRLKHCTGQSOE-UHFFFAOYSA-N 465.597 2.204 10 20 JECD CN(C)C(=O)CCNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 920476101 QXKNVLVGAYNCHB-LCYFTJDESA-N 456.387 2.245 10 20 JECD O=C1CCc2cc(OC[C@H](O)CNC(=O)NCc3ccc(N4CCSCC4)cc3)ccc2N1 920812228 MRXKNXZUQOAPGZ-HXUWFJFHSA-N 470.595 2.364 10 20 JECD COc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1N1CCCC1=O 920926462 PIAPKHSXGHDMCA-KRWDZBQOSA-N 466.538 2.475 10 20 JECD O=C1NC(=S)NC(=O)C1=CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCCC1 920980029 SWOAFESVDYEIGN-UHFFFAOYSA-N 491.639 2.068 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)c1ccc(Cl)cc1)C2)c1cc(O)nc(O)c1 1777846611 QPEHOACXCISDFR-UZUQRXQVSA-N 473.913 2.157 10 20 JECD Cc1c[nH]cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127268 BNZYYVZURFIMMH-PXDATVDWSA-N 463.538 2.244 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1781838136 DMADWNMAMZHPMA-QHCPKHFHSA-N 483.912 2.089 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1782661898 XOGZLROXXYBZGW-NPMXOYFQSA-N 459.930 2.469 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1784287869 KJVQUAOEHYGKDR-NPMXOYFQSA-N 459.930 2.469 10 20 JECD Cc1ccccc1NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785508500 FQXVPQOIUNWIJK-CFSVISAESA-N 467.522 2.067 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)CCCc1ccncc1)CCO2 1785508789 MBHLQFUEYOVMBL-PIITYICYSA-N 467.522 2.064 10 20 JECD CC(C)(C)n1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)c1Cl 1785713285 CUBIQFVGQDOPLA-RCBQFDQVSA-N 477.949 2.005 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(Br)c3F)C[C@@H]21)c1cc(O)nc(O)c1 1787294132 BVWPMYNWBQFXCW-PJODQICGSA-N 494.317 2.302 10 20 JECD C[C@H](NC(=O)c1ccccn1)C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788429056 QOHGQNHKBJLBKC-HNNXBMFYSA-N 475.505 2.454 10 20 JECD CN(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)cn1 1798956999 NZAINPJXKBYVKC-HGTZELSKSA-N 452.511 2.230 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Cl)cccc1Cl)C2 1802105257 IZAYXKDJDLLRBU-YQYWCBKUSA-N 488.418 2.057 10 20 JECD O=C(CCNC(=O)c1ccccc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804291149 FOIZULYLBFUMRY-LDEDEHCMSA-N 479.533 2.275 10 20 JECD CCc1cc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)nn1C 1808470783 ZHQMKEJGMZWQNR-KBMIEXCESA-N 499.575 2.490 10 20 JECD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n[nH]1 1810424201 FJUSSXIHAOLJFQ-QLFHSEGHSA-N 477.521 2.192 10 20 JECD CCN(C)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1812316268 ORZIFNAXUQHXGU-GYNLSJJSSA-N 468.554 2.258 10 20 JECD O=C(CN1CCOC1=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1815029955 YQTCKEKLNUYVNP-CQSZACIVSA-N 463.878 2.232 10 20 JECD CCc1nn(C)c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1Cl 1816721230 HNGSKOOFGBCEJX-SNVBAGLBSA-N 476.946 2.438 10 20 JECD COc1ncccc1CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816721464 LRFGWPYPPMHLIH-AWEZNQCLSA-N 469.523 2.212 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C1(Br)CC1)CC2)c1cc(O)nc(O)c1 1816727129 FVZCLRHMOCTUPI-VIFPVBQESA-N 453.318 2.103 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3ncccc3[nH]1)CC2)c1cc(O)nc(O)c1 1816728305 GURHBTBMJSWROL-NSHDSACASA-N 450.480 2.365 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(N3CCOCC3)c1)CC2)c1cc(O)nc(O)c1 1816730034 ZRDLSNAEJLZRNX-INIZCTEOSA-N 495.561 2.326 10 20 JECD COC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146209 WNWQIRYEKLEBIE-HNAYVOBHSA-N 452.515 2.477 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3c[nH]c4ncccc34)sc2C1)c1cc(O)nc(O)c1 1818159854 MSPUWXDLPZQHSD-NSHDSACASA-N 450.480 2.365 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc4ncsc4[nH]3)sc2C1)c1cc(O)nc(O)c1 1820223352 IAYLXFHHHITAEV-VIFPVBQESA-N 456.509 2.427 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2)c1ccc(O)cc1 1822922093 XYWNXQLKARZWRN-DGCLKSJQSA-N 490.632 2.425 10 20 JECD C[C@H](Oc1ccccc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1825413341 BAPWTLMGYHYEOT-STQMWFEESA-N 490.632 2.383 10 20 JECD COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)n1 1825673915 VLSKSOVQFAOEDN-QGZVFWFLSA-N 476.624 2.184 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2)C1=COCC1 1827237096 OCULNBIECWVOPM-CQSZACIVSA-N 451.508 2.152 10 20 JECD O=C1COc2ccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)cc2N1 1828628365 HZIZXWLDWCWZRR-LJQANCHMSA-N 480.521 2.371 10 20 JECD O=C(CCc1ccc[nH]1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898192 FDRNJIXNMOOFAW-SFHVURJKSA-N 462.641 2.427 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccn(C)n2)CCO3)cc1 1834248588 CMZBLCODNFPIKB-AREMUKBSSA-N 477.565 2.211 10 20 JECD CCc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1836359714 FLVSXHJLHPGUKD-QHCPKHFHSA-N 475.929 2.092 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 1836418483 WTALJBSCIXWOAK-XLNZFTOWSA-N 487.940 2.020 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1Cl)CCO2 1838865552 JLMJLIHANMKKEX-VWLOTQADSA-N 496.951 2.203 10 20 JECD O=C(/C=C/c1cccc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1839926598 BTEAYMUWRQLJJM-JVPDDCAZSA-N 488.924 2.240 10 20 JECD CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2F)[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250933 DGZXABQLFZZDRF-UEABVUSTSA-N 490.532 2.046 10 20 JECD O=C(C[C@@H]1CNc2ccccc2O1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441884 SVQMANMUJYUACO-LJQANCHMSA-N 473.533 2.246 10 20 JECD C[C@@H]1Oc2ccc(C(=O)N3CC4(CCCN4C(=O)/C=C/c4ccc(O)c(O)c4O)C3)cc2NC1=O 1847038193 DGXVVXIQUSTQOS-GPAKFWEMSA-N 479.489 2.053 10 20 JECD COc1ccc(Cl)c(CC(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)c1F 1847056693 XOPSGLWCARYQGY-UHFFFAOYSA-N 485.990 2.094 10 20 JECD CN1CCCc2cc(CNC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21 109460559 YJOVOACESOZHGH-UHFFFAOYSA-N 457.596 2.339 10 20 JECD COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1SC 728516068 LTJWYILZDSIZKV-UHFFFAOYSA-N 465.553 2.490 10 20 JECD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 918462480 VQFKLXOWKUOHTE-UHFFFAOYSA-N 488.610 2.451 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)nc12 918878077 SLWIXCQCKRYWFK-CYBMUJFWSA-N 456.430 2.155 10 20 JECD CC(C)CN1C(=O)/C(=C\Nc2cc(Br)ccc2N2CCOCC2)C(=O)NC1=S 920979267 DNFOPCYXPXXLTF-UVTDQMKNSA-N 467.389 2.481 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)cc1 1779886122 DQTJOWCGPYWTGV-AREMUKBSSA-N 460.534 2.485 10 20 JECD CCc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)cc1 1780788432 ABFPAEKMKJEUOY-AREMUKBSSA-N 460.534 2.485 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3cccc(F)c3F)C2)C1 1780808780 QUDABWLSUDZBSU-DEOSSOPVSA-N 468.460 2.201 10 20 JECD O=C(Cc1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1787063038 BNGGIHQSRMJLRU-USDOSNGCSA-N 458.536 2.101 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cccnc1-c1ccc(F)c(F)c1 1796039563 HPOYAZGTAXQKSS-MFKICJERSA-N 496.470 2.350 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cnccc2c1 1797502730 WFUAHQXQEWHZFD-BCDXTJNWSA-N 454.577 2.347 10 20 JECD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1OC 1798896323 NWHWCOBSROUQBL-YVWYUNDQSA-N 476.913 2.285 10 20 JECD CCOc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1O 1799755610 GJNHTCHWYCTWNU-HBCWATKFSA-N 476.913 2.373 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)[C@H]1CCCCO1 1802590537 YEFFHDSQFOFSCQ-WCGQXLBRSA-N 467.522 2.487 10 20 JECD Cc1nnc(CCC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)s1 1807993522 JUDISKXWAPCEEO-BTYIYWSLSA-N 468.539 2.000 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2ccc3c(c2)CCO3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998570 MHESFUFEMQBMDZ-KBMIEXCESA-N 474.517 2.385 10 20 JECD Cc1cc(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)nn1C 1808293846 FPBSYRZBVKENAO-FNORWQNLSA-N 454.527 2.404 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccc(-n2cncn2)c1 1811822355 FESWVYBBLRUUPG-FDDCHVKYSA-N 485.504 2.102 10 20 JECD O=C(/C=C/c1cnccn1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813484168 FSVTZNMNZHBRQR-OYXVSLRXSA-N 495.543 2.384 10 20 JECD COc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1814185969 VYIJYOISIFPYTC-AUUYWEPGSA-N 490.632 2.332 10 20 JECD Cc1c(F)ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1N 1815245277 NPPSSRVXGKOVSL-JTQLQIEISA-N 493.611 2.259 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(Cl)c3nncn3c1)CC2)c1cc(O)nc(O)c1 1816726379 VNZDCHQPUXZXFQ-LLVKDONJSA-N 485.913 2.185 10 20 JECD Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)ccn1 1819758891 RXFBZCOFYGZXJB-OAHLLOKOSA-N 458.569 2.279 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(=O)oc2)[nH]n1 1823474768 DKASNTJPPOSFEF-CDVVCGDMSA-N 466.450 2.499 10 20 JECD CN(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cn1 1823500243 XNJYNVMCAMEZII-OAHLLOKOSA-N 487.611 2.037 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnn3c1OCCC3)CC2 1828197618 DRXCSKXLAJNORS-LPZVBRGNSA-N 497.533 2.178 10 20 JECD O=C(c1ncc(F)cc1F)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896291 CASWLNLCYUJLEY-INIZCTEOSA-N 482.578 2.453 10 20 JECD COc1nn(C)cc1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837378309 TUUJGPOJWVKYPP-UHFFFAOYSA-N 492.960 2.419 10 20 JECD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)ccc1O 1839310265 FZCVQKLGDPJYBM-QHCPKHFHSA-N 476.913 2.149 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncc[nH]4)C3)C2)cc1 1839348448 BOMQHFQCNWIVQZ-RUZDIDTESA-N 463.538 2.201 10 20 JECD Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C)n1-c1ccc(Br)cc1 728698280 MZPWQOUYHDVJHK-PMACEKPBSA-N 496.427 2.084 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(C(=O)N4CCCCC4)CC3)cc2F)C[C@@H](C)O1 916975384 DUTKMVGXWPTOMS-BGYRXZFFSA-N 475.609 2.279 10 20 JECD COc1ccc(N2CCCN(C(=O)c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 917821662 LHEPORHDYMRLNA-UHFFFAOYSA-N 473.595 2.377 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc4nc5n(c(=O)c4c3)CCC5)cc2F)C[C@H](C)O1 918286617 JBFBACYPPTYVGL-HOTGVXAUSA-N 493.539 2.350 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2F)C[C@H](C)O1 918286811 KHXBECQXAHJWCA-HOTGVXAUSA-N 456.518 2.396 10 20 JECD CCCCN1C(=O)c2ccc(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cc2C1=O 918338513 XBBLARMKVXNQQL-UHFFFAOYSA-N 469.563 2.248 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)cc2)C1 918464897 DDGVYERSZDRIPO-CVDCTZTESA-N 480.565 2.201 10 20 JECD CCCS(=O)(=O)Nc1cccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 918944550 BPVDYJRBVAALRB-UHFFFAOYSA-N 493.557 2.287 10 20 JECD CCNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 919410708 LUDOMPYTYRDLOF-UHFFFAOYSA-N 451.520 2.005 10 20 JECD O=S(=O)(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc2nc(O)[nH]c2c1 919730118 OPKHUEOMBSXFER-UHFFFAOYSA-N 483.529 2.003 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1 919832946 YDZDLLJZMBDSOQ-UHFFFAOYSA-N 451.932 2.405 10 20 JECD COc1cc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)ccc1OCC(=O)N1CCOCC1 920472109 JNXLEDRWTBFESJ-ZHZULCJRSA-N 491.635 2.228 10 20 JECD COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 920638277 SVTHELPRTFNFSO-CHWSQXEVSA-N 466.512 2.204 10 20 JECD CCC[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1)n1cccc1 1777847835 BLVPDKNTAJFCKD-KHCICDEESA-N 456.543 2.463 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3ncccc3c1)C2)c1cc(O)nc(O)c1 1777848333 QNYZQZWBGDHFJR-CJFMBICVSA-N 462.506 2.482 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1778956110 LOVSOIAKWUAZGN-FQRUVTKNSA-N 481.597 2.245 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1782008080 UUWADPWILHHGCJ-HSZRJFAPSA-N 473.913 2.467 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1782373642 SPZVEGKXNGEFSC-JOCHJYFZSA-N 474.876 2.295 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@]1(F)Cl)C2 1783222870 PLPWSRWCRPYBSA-VMPDLBTJSA-N 468.909 2.255 10 20 JECD Cc1cc(F)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785510354 XLJYIKMEIHDICJ-ISTCRNMPSA-N 456.470 2.408 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cnc2snnc2c1 1789204018 ASKHJIPNZCJZSA-SVKFGRERSA-N 489.941 2.058 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(O)nn4)C[C@@H]32)cc1 1790126263 KPZXSMVSRWUGBQ-RRPUWOKSSA-N 475.549 2.497 10 20 JECD COc1ccc([C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1792830724 SLBZPPZIDZCNEU-YWOZTKAZSA-N 482.533 2.219 10 20 JECD O=C(/C=C/c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1795755418 SKUORFRZZYPMPF-GMIJLADMSA-N 464.547 2.144 10 20 JECD Cc1cccc(-c2cnccc2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)c1 1796137823 HLUFMEQLPJZEKA-NHKMSHSESA-N 474.517 2.380 10 20 JECD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)nn1 1798371887 PTRNQVAZAIDLIP-IRJINJETSA-N 475.549 2.410 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(F)CCCC=C1F 1802215380 TYAZFGBTNZLWQD-JZZCHEDGSA-N 464.465 2.152 10 20 JECD CC(C)OCC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1802654372 VOGQQPNFOXYYMQ-CYFREDJKSA-N 463.538 2.305 10 20 JECD COc1cnc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(F)c1 1805082876 UXJAKEJGXLTKKJ-SZNDQCEHSA-N 467.457 2.064 10 20 JECD COc1cccnc1CCC(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1806971497 YREMYTFLDDRYDW-UHFFFAOYSA-N 454.527 2.374 10 20 JECD CC(C)N[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)C(C)C 1807993363 IVRTZNJCPWZYTO-HSQYWUDLSA-N 455.559 2.230 10 20 JECD Cc1ncc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)s1 1807997811 DRLHFKVZDCEPFK-YCRPNKLZSA-N 453.524 2.215 10 20 JECD Cn1cnc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1C(F)(F)F 1808667541 AXQSKFRZXKKQOK-UGSOOPFHSA-N 490.442 2.274 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCN(C(=O)CNC(=N)N)[C@@H]2c2cccnc2)cc1 1811265576 ZEQDBQVOOVZJKD-XUZZJYLKSA-N 473.581 2.292 10 20 JECD COCCOCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1814311193 OWVFJIDMAVBZHU-LLVKDONJSA-N 455.920 2.097 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2nc3ccc(F)cn3n2)[nH]n1)c1cc(O)nc(O)c1 1817847026 HOIXJDNGHGCXLR-AWEZNQCLSA-N 466.433 2.017 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(-n4ccnc4)ccn3)sc2C1)c1cc(O)nc(O)c1 1821687629 VSOQOGCDMAJGIE-ZDUSSCGKSA-N 477.506 2.070 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2)N1CCN(C)CC1 1822692553 JPRSVRHMFIYOOA-TZMCWYRMSA-N 494.017 2.069 10 20 JECD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)n1cnnn1 1822860883 YPHLLFMGBJBXRX-IINYFYTJSA-N 460.882 2.028 10 20 JECD O=C(CSc1ccncc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1832710906 WKXMKTGHDBHXOW-QFIPXVFZSA-N 493.969 2.009 10 20 JECD Cn1ccc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)c1 1834080621 KMWNJDBIEUTMKW-HWKANZROSA-N 468.554 2.041 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)c3cccc(O)n3)CC2)CC1 1837471467 KESKFAXBSZVZJU-UHFFFAOYSA-N 491.548 2.192 10 20 JECD O=C(CCC(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431722 INCVTPPWJAMXEJ-SFHVURJKSA-N 466.840 2.164 10 20 JECD C[C@H](Cc1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840471820 KVWBKFZVHNUSSE-CMJOXMDJSA-N 478.929 2.293 10 20 JECD CCSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1844240990 PMJSBBCPVGLSSU-MRXNPFEDSA-N 494.614 2.346 10 20 JECD O=C(CC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)Nc1ccc(F)cc1 1847038353 OMPISKOFDGKWDH-YCRREMRBSA-N 469.469 2.188 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)cc1 24088774 WHJXGUQITZZZLZ-UHFFFAOYSA-N 464.566 2.400 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O 109429635 PMQHFXKRKKCZLQ-MHZLTWQESA-N 477.609 2.499 10 20 JECD C[C@H]1CN(CCNC(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)CCO1 725720740 JVJZKAVVWVKEHU-RKPNYOAGSA-N 484.441 2.487 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccccc3Br)CC2)cc1 743442646 SEUWKFNWNCEFHW-UHFFFAOYSA-N 461.360 2.335 10 20 JECD Cc1nc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)CC2)cn1C 747631857 JWLRYFLFZNJYRU-UHFFFAOYSA-N 459.616 2.386 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N(C)Cc3nc(O)c4ccccc4n3)CC2)cc1 916234314 KJLLYWFWZVMZHK-UHFFFAOYSA-N 450.543 2.308 10 20 JECD CN(C)CCNS(=O)(=O)c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)c([N+](=O)[O-])c1 917085253 GFCMHEHKBQCZFM-UHFFFAOYSA-N 491.614 2.256 10 20 JECD CCNC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918285661 ARBBXKHDJZCUKC-IRXDYDNUSA-N 486.544 2.209 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3cc([N+](=O)[O-])ccc3N)cc2F)C[C@@H](C)O1 919030498 FLAWPRVCNSPMAS-ZIAGYGMSSA-N 460.462 2.403 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 920638426 ZKAMIBKAZAEMIK-UHFFFAOYSA-N 494.481 2.335 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1c(F)ccnc1Cl 1794238779 RHCYJLUENKBMOY-CULMDFNYSA-N 470.284 2.456 10 20 JECD CC(=O)Nc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)n1 1794578670 WFLXYGLVKONNPH-NCSHHQJSSA-N 466.494 2.122 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc(N2CCCC2)ccn1 1796582819 LUFBLAUNUPSKKI-VPTLXERWSA-N 486.956 2.263 10 20 JECD CCCCCc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)s1 1800234690 FLKRLOLCQWLGMW-YVWYUNDQSA-N 460.556 2.199 10 20 JECD O=C(/C=C/c1ccc(Br)s1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1801323423 JVRHDOKVPGTSAJ-XIRRHLMSSA-N 494.367 2.233 10 20 JECD CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(O)nc(O)c3)C4)C[C@H]2C1 1801864412 RNZVUVCWWHVRJH-LVJQVDSHSA-N 486.569 2.392 10 20 JECD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1F 1802080261 JUHKYPIRMYVMKE-ZLSBKTEHSA-N 456.470 2.168 10 20 JECD COc1ccc(/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c(F)c1 1804336444 YIMNRQVNYIBELB-NCSLWMNCSA-N 477.583 2.346 10 20 JECD CCc1nn(C)c(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1Cl 1805052140 ZPDWUEWSUVEWNO-XOBRGWDASA-N 484.944 2.471 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1n[nH]c2ccccc12 1809828167 OJUGWGLZPRPCGO-OYHNWAKOSA-N 458.478 2.398 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)N1CSCSC1 1810401164 GGFFZPRWSLIVHS-AKCHCHLHSA-N 489.623 2.250 10 20 JECD CC[C@H](NC(N)=O)C(=O)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1 1810826728 IYJHXGIETWDABO-HNNXBMFYSA-N 452.939 2.043 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814192125 RDUQEQZIXYGIPX-RADWXHQJSA-N 497.646 2.222 10 20 JECD O=C(COc1ccccc1F)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822099577 ZQUWTHJQHZHRRA-OAHLLOKOSA-N 491.570 2.480 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2snnc2C2CC2)[nH]n1 1823498837 WOGMILMMHJUOCC-GFCCVEGCSA-N 491.624 2.305 10 20 JECD C[C@@H](CC(N)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1824592542 NZIFRLJKKWHUSB-SUMWQHHRSA-N 451.951 2.496 10 20 JECD COC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1831632661 SJFMDONFVKBQBB-BCHFMIIMSA-N 469.582 2.447 10 20 JECD CC(=O)C[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1831805419 VTSFYVHGYRFUSY-RHSMWYFYSA-N 453.630 2.082 10 20 JECD Cc1ccc(-c2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(O)nc(O)c5)C4)C3)c[nH]2)cc1 1833355663 HXIUQAFMEGTPSN-AREMUKBSSA-N 492.532 2.180 10 20 JECD Cc1cncc(C(=O)NC2CCN(C3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)c1 1834229027 QDHAWPJEAFOHHQ-UHFFFAOYSA-N 488.592 2.368 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(F)F)no1)CCO2 1836244951 ZIPJDFONROGBSO-HXUWFJFHSA-N 487.843 2.061 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@H]2F)C1 1845094590 ITAZNJIFFRPQLK-GVDBMIGSSA-N 477.533 2.095 10 20 JECD C[C@@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 14077114 NOZTZKRSUVZREQ-CHWSQXEVSA-N 489.933 2.306 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCCN(C(=O)C3CCC3)C3CC3)cc2)C1 731364605 TZNWRFUASKQVJK-HXUWFJFHSA-N 455.603 2.369 10 20 JECD CS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 746990674 UWRPYYYVDQCEKG-UHFFFAOYSA-N 499.511 2.342 10 20 JECD CC/C(Nc1cccc2c1C(=O)c1ccccc1C2=O)=C1/C(=O)NC(=S)N(CCOC)C1=O 814334902 JRPQPGYHWSQGQO-KNTRCKAVSA-N 463.515 2.428 10 20 JECD O=S(=O)(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc2c(c1)OCCO2 919729086 CGNUEUSHMVGCRW-UHFFFAOYSA-N 485.541 2.192 10 20 JECD Cn1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 919749885 CZEPWNJEQXACIU-UHFFFAOYSA-N 469.523 2.160 10 20 JECD CS(=O)(=O)N1CCC[C@H](NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 920292553 PMVQVKUBMTWMLM-JMRXEAOASA-N 473.667 2.270 10 20 JECD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 920906579 HYCKLGXXPAXLIO-GASCZTMLSA-N 477.493 2.102 10 20 JECD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)N1C[C@H]2C[C@H]2C1 1781122143 PSJHRQXEPZFBPB-RMRGNVRKSA-N 477.989 2.219 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)n2cncn2)CCO3)cc1 1781754989 DDCYGVPOMGMAMA-CJFMBICVSA-N 462.554 2.390 10 20 JECD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)n(C(F)F)n1 1782007386 QXNPDFRAJHJDSU-FQEVSTJZSA-N 470.860 2.409 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)c2n1 1782007629 VOGYMAPLMQNVQB-QHCPKHFHSA-N 486.912 2.393 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCOc1ccc(F)cc1 1792817068 MSMPZCYWMCUEPY-MUJYYYPQSA-N 465.572 2.093 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(F)CCCCC1(F)F 1797206460 ILDKYWFRKKHDNB-LEIHUNCNSA-N 492.498 2.287 10 20 JECD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccccc1 1802103674 DOVKAKYCARTDMA-FDWBTHDASA-N 452.507 2.210 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(F)nc2F)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993293 VPLCVLPYKVQZEY-YJYMSZOUSA-N 455.421 2.194 10 20 JECD Cc1nc[nH]c1CSCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810192384 AGZIOSDKTLOAHB-ZHRRBRCNSA-N 482.566 2.172 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cncnc2)[C@@H]1c1cccnc1 1814162642 OUVZTNMJWRZRRS-JEYNVIPUSA-N 461.478 2.021 10 20 JECD CO/C=C(\C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1819539779 NFZFMTDPEMMWFD-XTZCOPOCSA-N 453.524 2.398 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1c(F)cncc1F 1819919604 IAXKMVBPKMOPQF-CYBMUJFWSA-N 480.522 2.249 10 20 JECD COCCOCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708612 KBZGILMEUHZLBS-NSHDSACASA-N 455.920 2.097 10 20 JECD Cc1nc2ncccn2c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427988 WOPNALIIUMYEKF-SFHVURJKSA-N 464.526 2.391 10 20 JECD CC1(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCN3C(=O)OCc3ccccc3)C2)CC1 1829037452 LADFYRREXPVTBC-SANMLTNESA-N 494.548 2.359 10 20 JECD O=C(c1nccc2nc[nH]c12)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902523 PENSVFHUYBXXPO-MRXNPFEDSA-N 486.623 2.052 10 20 JECD Cn1ncc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1C(F)(F)F 1837253938 KMDDICOYIRECSM-UHFFFAOYSA-N 497.474 2.171 10 20 JECD CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1841392807 OKHOFZMJZOHZIM-INIZCTEOSA-N 472.542 2.099 10 20 JECD COc1cccc(CCC(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)n1 1843441385 PTJNZEVLAMIJNK-UHFFFAOYSA-N 461.522 2.019 10 20 JECD O=C(c1n[nH]c2c1CCc1ncccc1-2)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442340 BPLDMHSJXITUJL-UHFFFAOYSA-N 495.543 2.180 10 20 JECD COc1ccc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cc1N(C)C 1843442751 YENIWHRVSUZWEQ-UHFFFAOYSA-N 475.549 2.371 10 20 JECD O=C(Cc1ccccc1I)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1847628275 FMVVWZRCWCBQSY-HOTGVXAUSA-N 493.301 2.156 10 20 JECD CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 15692425 WFLYUWLHDAXOHC-NSHDSACASA-N 453.407 2.150 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NCCn1cncn1 726538048 UYHPUZZPNWANFM-NTUHNPAUSA-N 452.359 2.058 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccccc3CN3C(=O)CCC3=O)CC2)cc1 726726872 CVDWXLRXJLGRGE-UHFFFAOYSA-N 464.522 2.068 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4F)C3)CC2)cc1 742920464 QIMQPARONCLGHB-KRWDZBQOSA-N 458.509 2.265 10 20 JECD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)CC1 744906169 FVSLWTORRVQPEZ-QHCPKHFHSA-N 494.592 2.316 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OCC(=O)O)c(F)c2)cc1Cl 751268898 ITMWPBDOJSQVKD-UHFFFAOYSA-N 452.869 2.115 10 20 JECD Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1C(N)=O 914792210 GZPRWVGYPFIGJT-UHFFFAOYSA-N 451.551 2.422 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCCN3CCN(c4ccc(F)cc4)CC3)CC2)cc1 916197356 QYNJFBWPVLMHSW-UHFFFAOYSA-N 498.647 2.468 10 20 JECD Cc1ccc(NC(=O)CSCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 916676736 PPPNPMYWDAVMJS-UHFFFAOYSA-N 461.609 2.218 10 20 JECD O=C(CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 917055337 BEEGWHUTIRXOOJ-UHFFFAOYSA-N 457.506 2.009 10 20 JECD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCc1ccc(N2CCC(O)CC2)c(F)c1 917087315 XZFKBLYOSLIFNH-UHFFFAOYSA-N 494.545 2.328 10 20 JECD Cc1cc(=O)c(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nn1-c1ccccc1[N+](=O)[O-] 917833092 LUVREJQWUDCLLQ-SFHVURJKSA-N 490.520 2.081 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)Cc4ccccc4)C3)cc2)C1 917834624 LMWOVNYSUONNHY-PKTZIBPZSA-N 462.594 2.486 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 918138820 WQDDIWDXHXRXKT-UHFFFAOYSA-N 470.526 2.210 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3nn(C)c(=O)c4ccccc34)cc2F)C[C@@H](C)O1 918812560 YEKKURXFRJTQRA-IYBDPMFKSA-N 482.512 2.159 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccc(N2CCOCC2)cc1 920927565 YNYJVKGINVIIOG-LJQANCHMSA-N 480.565 2.340 10 20 JECD O=C1CCc2cc(S(=O)(=O)NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)ccc2N1 1317985743 UPGUKCXFHRHROQ-UHFFFAOYSA-N 496.568 2.306 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nc5ncccn5n4)C3)C2)cc1 1777831460 DKWWEGXVAVDNGU-AREMUKBSSA-N 485.548 2.289 10 20 JECD O=C(/C=C/c1ccc(O)cc1Cl)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783774764 ACYVPDJNXKXFFZ-WYAMSBGYSA-N 459.886 2.009 10 20 JECD O=C(Cc1cnccn1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1786229715 CCLLRRMVBBQXEV-UHFFFAOYSA-N 455.565 2.014 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)C[C@@H]21)c1cc(O)nc(O)c1 1787291121 JJZRHMNTYSFOKY-PVSXMWDLSA-N 492.576 2.464 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1c[nH]c2nccc-2c1 1787332426 ZWIRXHKWMKUCBO-AXHNFQJDSA-N 470.913 2.486 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1cccc(F)c1 1789512582 ALRABMMXQKKVJZ-XJABCFGWSA-N 464.497 2.212 10 20 JECD Cc1cnc(Cl)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1794970777 SPQJTEGYVUFBED-VBUUTPMESA-N 473.913 2.077 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2)c1cc(O)nc(O)c1 1796137581 LDMYDQZDBPVREE-WNKGXHABSA-N 457.914 2.153 10 20 JECD CC(C)(C)OC(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)C1CC1 1796600762 AQQAQPIDWRBDBV-ACHSLPGTSA-N 460.531 2.144 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn[nH]c1 1797039928 IAMYRWIBNBKAEP-PLACYPQZSA-N 482.585 2.380 10 20 JECD CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1797758666 XLZHORKDWIUNHT-IVZYZONNSA-N 474.558 2.392 10 20 JECD CCOc1c(F)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)cc1Cl 1799677878 HNEPNHATMNZTML-HBCWATKFSA-N 479.892 2.201 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1OCCc3ccccc31)C2 1802078345 AHTIVGQUBNHOFK-LBMGYZMASA-N 494.544 2.110 10 20 JECD COc1ccc([C@@H](O)C(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)cc1 1805161409 HZAUXJBEGAQXBJ-OAQYLSRUSA-N 455.511 2.080 10 20 JECD O=C(CCn1c(=O)oc2ccccc21)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1806905207 WUONHUYGBCHTOG-UHFFFAOYSA-N 480.521 2.336 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1cccnc1 1814164253 WKDXFYCTNMFNIC-SXXNRXISSA-N 493.476 2.468 10 20 JECD Cc1ccc(C(=O)C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1814190088 QEBYFPCUCCRQMI-NQIIRXRSSA-N 496.614 2.139 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CC(c3ccccc3)=NO1)CC2)c1cc(O)nc(O)c1 1816720548 XUNZISUISVURPR-WMLDXEAASA-N 479.518 2.368 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cccc4[nH]ncc34)sc2C1)c1cc(O)nc(O)c1 1816769456 DIXPPNNKKFFUFI-LLVKDONJSA-N 450.480 2.365 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)n1ccnc1 1817363495 HBKPLBAHUAAIQM-HUUCEWRRSA-N 477.550 2.306 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CC2)C1=NN(c2ccccc2)C(=O)C1 1817367309 XOJDBRNRGPWHRJ-PSLQGDIJSA-N 479.562 2.416 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-n3cccn3)nc2)[nH]n1)c1cc(O)nc(O)c1 1817846376 UNRWWQFJIOJKLK-KRWDZBQOSA-N 474.481 2.416 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2cncn2c1 1819322335 MPDUYVRIPCXWGD-ZDUSSCGKSA-N 450.480 2.137 10 20 JECD CCc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)n(C)n1 1820632682 CBXHCAZCOYOTCX-OAHLLOKOSA-N 491.577 2.458 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)o1 1823500057 LTECDMUEOWUONA-ZDUSSCGKSA-N 490.567 2.127 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CNc3ccccc31)CC2 1828242889 UQUKNZCDTWNCNS-YPMHNXCESA-N 487.632 2.125 10 20 JECD C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828250007 MSGZZCLVSICJCP-VXGBXAGGSA-N 478.621 2.387 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc4ccccn4n3)CC2)CC1 1838031581 RLCSBIBCSTVBCX-UHFFFAOYSA-N 465.510 2.067 10 20 JECD Cn1ccc(N(CCC(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)Cc2ccccc2)n1 1845832663 ILPAQGIKZWYRCI-UHFFFAOYSA-N 490.564 2.140 10 20 JECD O=C(c1ccc(CCN2CCCC2)nc1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039082 QQJSFXQIVBYASR-RMKNXTFCSA-N 492.576 2.367 10 20 JECD CC(=O)N(C)C1CCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 726237813 NCQPXHCNEQPAHV-UHFFFAOYSA-N 469.565 2.095 10 20 JECD O=C(CSCC(=O)NCc1ccc(N2CCOCC2)cc1)NCc1ccc(N2CCOCC2)cc1 729840564 JZIDWTJIZAUIPL-UHFFFAOYSA-N 498.649 2.026 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1F 731408558 QCGJERQYECLADI-UHFFFAOYSA-N 462.547 2.368 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)CC2)cc1 742921132 YMFWTZIGFPDSCP-NRFANRHFSA-N 492.667 2.238 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 751304650 CJVNEDSEASHVNO-UHFFFAOYSA-N 457.596 2.026 10 20 JECD COc1ccc(N2CCN(C(=O)CSc3nnc4c(=O)[nH]c5ccccc5n34)CC2)cc1 799830167 NPCUHEYUICQASE-UHFFFAOYSA-N 450.524 2.020 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)c2C)cc1F 914655013 OQCSCLARMTWWGZ-IEBWSBKVSA-N 490.553 2.303 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(C)c(NC(C)=O)c3)CC2)cc1 915744432 GMNVJWQCTFADLI-UHFFFAOYSA-N 467.570 2.229 10 20 JECD Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 916625298 ABBFNXDDEOITPT-UHFFFAOYSA-N 493.655 2.451 10 20 JECD CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1Cl 917833434 SIZOHLCCHNDGFV-KRWDZBQOSA-N 479.002 2.222 10 20 JECD CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 917834766 PKCPNVOUZACJOJ-LJQANCHMSA-N 458.584 2.005 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)cc2)C1 918030434 LSCVFXZHZQCZJG-KRWDZBQOSA-N 471.583 2.151 10 20 JECD COCCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 918277066 KMFZLUZJFWAMSZ-UHFFFAOYSA-N 482.459 2.217 10 20 JECD C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(N2CCOCC2)cc1 920879150 JHUGKJJCUSTRES-QGZVFWFLSA-N 477.558 2.174 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)cc2F)C[C@@H](C)O1 921031699 PXHYLTOYEAFIPF-HZPDHXFCSA-N 496.630 2.435 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3cccc(O)c3)C2)C1 1783275579 KZYUVUZLBIASFO-QSYIRPHUSA-N 466.490 2.066 10 20 JECD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1)n1cccc1C=O 1790243320 HNZOIUSZJMMBLV-BAGFXWCHSA-N 475.929 2.220 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccoc3s1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479409 FYDOBDAINXSTRY-VPTLXERWSA-N 478.530 2.490 10 20 JECD COc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799620630 XXVOMLGIKGJXMW-JHDGKUDLSA-N 477.565 2.353 10 20 JECD COc1cccc2[nH]cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=C/c3ccc(O)c(O)c3O)c12 1802079579 KRWZZSVFJDIXCL-MODAACOMSA-N 493.516 2.210 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1806687970 UGXHZADDRFPQJS-OAQYLSRUSA-N 464.566 2.394 10 20 JECD O=C(NC[C@H]1CCN(C(=O)COCc2ccccc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992520 BYFGHEACEJTLKP-DVECYGJZSA-N 462.506 2.424 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2snnc2C2CC2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994810 BZLREOOKZSYWOK-AUUYWEPGSA-N 466.523 2.250 10 20 JECD O=C(CC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)Nc1ccc(F)cc1 1807999846 NJJOAECMTMQVGN-FYSMJZIKSA-N 493.495 2.375 10 20 JECD C[C@H](Nc1nccs1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1808384784 VPKXKBWILZEQJQ-RFUYNDQBSA-N 468.539 2.165 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)CC2)C1 1810547110 OYVLOTBTOJGRRF-HSZRJFAPSA-N 466.494 2.072 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cncnc2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811798274 LVXBBBGRBCJYIN-HRAATJIYSA-N 467.913 2.499 10 20 JECD O=C(/C=C/c1cccc(O)c1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1812729484 FXGWIIMRNSFQSG-XVXCJXIKSA-N 496.614 2.367 10 20 JECD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)nn1C 1814162869 XMARHQRXADTXEN-OLCGYDSQSA-N 491.548 2.202 10 20 JECD Cc1ccncc1CCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814185240 OADCFAOUIJKEHY-AUSIDOKSSA-N 497.646 2.284 10 20 JECD O=C1Cc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)c2N1 1817847368 XSJFXTFFZUJXPV-MRXNPFEDSA-N 462.466 2.330 10 20 JECD CC[S@@](=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1819267837 PYKLAHORGSCUJO-RRMLHLIWSA-N 476.555 2.391 10 20 JECD O=C(Cc1cc[nH]n1)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1821740039 BDSCRPVIDZKNJV-LJQANCHMSA-N 460.498 2.161 10 20 JECD O=C(COc1cccnn1)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1822756682 RXDXTKURWWYPLF-MNDMWVCDSA-N 480.481 2.101 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](N)CN)CC3)cc1 1823440450 QAUCNFZQNIROSC-AEFFLSMTSA-N 452.584 2.062 10 20 JECD C[C@H](Cn1cncn1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823710870 NADCGRLLXDKTMB-PWSUYJOCSA-N 476.946 2.361 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1826541315 SNNAFAANCFMLNA-SWLSCSKDSA-N 453.524 2.449 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C)COC2)CCO3)cc1 1830033683 CHJMELYQVQKWES-SANMLTNESA-N 467.566 2.201 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccncc2=O)CC1 1831108139 TVZNFXPISFFVDB-SFHVURJKSA-N 474.945 2.241 10 20 JECD O=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)c1ccccc1 1832898203 GAEIRGYYJVXGLV-GOSISDBHSA-N 473.620 2.349 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cnc[nH]4)CCO3)C2)cc1 1836488171 FFHMSZWQRQOUTC-AREMUKBSSA-N 477.565 2.130 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1c(Cl)cccc1Cl)CCO2 1838872491 KLLZHAUASDUUOT-NRFANRHFSA-N 482.320 2.183 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cc(Br)ncc2Cl)C1 1842130228 UVZKJLKPVQPQDW-UHFFFAOYSA-N 467.707 2.435 10 20 JECD O=C(OCc1ccccc1)N1CCC(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CC1 1843249427 ICOLMFDRIFGMBR-UHFFFAOYSA-N 494.548 2.359 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CN3C(=O)NC4(CCCC4)C3=O)c2C)cc1 23555871 PYIHRMFRCBJSTI-UHFFFAOYSA-N 481.505 2.471 10 20 JECD CN(C)CC(C)(C)CNC(=S)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 727080767 ZTHRMUJVLJHSEH-UHFFFAOYSA-N 459.639 2.494 10 20 JECD Cn1nc(Br)c2c(=O)n(CC(=O)NCc3ccc(N4CCCCC4)cc3)cnc21 727104163 YAYOWKCHQSRLHT-UHFFFAOYSA-N 459.348 2.199 10 20 JECD CCOC(=O)c1c(S(=O)(=O)Nc2nc(-c3ccc(CCNC(C)=O)cc3)cs2)n[nH]c1C 727245986 FGVODJDRBRCUDI-UHFFFAOYSA-N 477.568 2.498 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccn(C)n3)n2)cc1 727252774 ODEOWFHQLKTEIK-UHFFFAOYSA-N 455.587 2.375 10 20 JECD COc1ccc(N2CCC(NC(=O)NCc3cccc(C(=O)NCCN(C)C)c3)CC2)cc1 727479686 MPAJTPIELFYFMW-UHFFFAOYSA-N 453.587 2.455 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N[C@@H](CN3CCN(C)CC3)c3ccccc3)CC2)cc1 727938502 SCRNNWJXGMESKG-MHZLTWQESA-N 494.684 2.495 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(OC)n1 743381670 YRMMDPWDBUMCIO-UHFFFAOYSA-N 468.432 2.209 10 20 JECD C[C@H](OC(=O)c1sccc1S(N)(=O)=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 774799552 FYYSEUYKAYPESM-NSHDSACASA-N 484.511 2.355 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(CN2C(=O)CSC2=O)c1 916676697 FUPNEZFYDWOHBY-UHFFFAOYSA-N 473.576 2.047 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnc(C(F)(F)F)n3N)cc2F)C[C@@H](C)O1 917171822 UAXOTHAOYZUXTF-PHIMTYICSA-N 462.473 2.172 10 20 JECD COc1cccc(/C=C(\C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n2nnnc2C)c1 917708539 INWJJDJGEICIIB-HYARGMPZSA-N 452.490 2.280 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCN(C(=O)c2ccccc2O)CC1 918220897 LQIHEKWJUYIIEI-UHFFFAOYSA-N 456.518 2.160 10 20 JECD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2ccccc2O1 918297255 OIHFFRFARFXEBD-CVDCTZTESA-N 481.549 2.220 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCNS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)C1 918373326 WBLSFSMBJJDMEH-JOCHJYFZSA-N 498.649 2.252 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H](C)NC(=O)c3ccc(Br)s3)nc12 919524039 ZWGGJJFKESHSLM-SECBINFHSA-N 497.327 2.297 10 20 JECD CCC(=O)N1CCCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 919782790 NMBOTKGUTNBYMV-UHFFFAOYSA-N 469.565 2.096 10 20 JECD O=C(COc1ccccc1CNC(=O)NCc1ccc(N2CCOCC2)cc1)NC[C@H]1CCCO1 919789996 CSGQLCGFUGDCQM-HSZRJFAPSA-N 482.581 2.197 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2)C1 1317985675 RCJGKMXISPHCDT-SFTDATJTSA-N 463.582 2.020 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(c3ccc(O)cc3)CC1)C2)c1cc(O)nc(O)c1 1777846754 UIGJWUIPVSBMIW-NTKDMRAZSA-N 467.522 2.058 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1ccc2occc2c1 1778662192 PCNIUHJTXYDBRS-WZONZLPQSA-N 487.603 2.421 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccncc3-c3ccccc3)C2)C1 1779854795 ZHBIIQAZBWITQU-VWLOTQADSA-N 460.490 2.312 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c3c(Cl)cccc13)CCO2 1785546303 CIOQJVYOQCLVIY-NRFANRHFSA-N 493.010 2.125 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)n[nH]4)[C@H]3C2)cc1 1786940677 KKLVAFQFSWKFFU-VCOUNFBDSA-N 463.538 2.430 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)C[C@@H]21)c1cc(O)nc(O)c1 1787294127 BMMZLMUACPQAJD-JQFCIGGWSA-N 481.427 2.299 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3nn[nH]c3C(F)(F)F)cc2)CCC1 1790160355 VBFATCNAOCZFGC-UHFFFAOYSA-N 498.512 2.432 10 20 JECD Cc1cc(C)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1798918920 NURXNBQCYQYGDP-SASNWOSXSA-N 452.507 2.337 10 20 JECD COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)c(O)c1 1804288754 DZNYEIHFTJJDHF-OVYMSRNUSA-N 454.479 2.483 10 20 JECD N=C(N)SCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1807010283 TWPUJWJRZJTZDF-SJKOYZFVSA-N 463.947 2.092 10 20 JECD COC(=O)c1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)s1 1807277693 KGISBUBWILQTFO-IVZQSRNASA-N 496.545 2.298 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccn3ccnc3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995882 KVBGDEYAYLUEEN-JTSKRJEESA-N 458.478 2.169 10 20 JECD O=C(CC12CCCN1CCC2)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1808034994 BAFZGZBHMMVNKZ-WZONZLPQSA-N 465.554 2.226 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cncc(O)c2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470243 UPYNZUOFXUHEGQ-HOYKHHGWSA-N 484.516 2.295 10 20 JECD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810549523 UMUWRMIEEFIREW-UHFFFAOYSA-N 454.483 2.489 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(-c2ccccn2)[nH]n1 1810929258 OGOCDDIMNZRJES-HJPURHCSSA-N 485.504 2.306 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@@H](CNC(=O)C(Cl)(Cl)Cl)[C@@H]1c1cccnc1 1812723452 SKOXIPTWLWUTBN-FZMZJTMJSA-N 495.841 2.318 10 20 JECD CC(C)N[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)C(C)C 1817453286 CNADXJLNDHGDPY-HNAYVOBHSA-N 480.660 2.285 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc2cccn2cn1 1818781564 NKFUTBJWUMFYCS-INIZCTEOSA-N 483.579 2.224 10 20 JECD CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476363 AJCRZXUNWNQTSA-CSTAJBCFSA-N 455.515 2.326 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccccc2O)[nH]n1 1823499570 MXBBHYWQUCEUAF-OAHLLOKOSA-N 473.580 2.210 10 20 JECD C/C(=C\c1cccnc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1826778321 GFTQRZHCHGHAFV-GMMCIKNFSA-N 487.632 2.414 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCSC1)CC2 1828248953 BVLACBPYYOJOEY-QWRGUYRKSA-N 470.667 2.059 10 20 JECD O=C1NCc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)ccc21 1828722155 CMYFDCRPXCRCGS-FQEVSTJZSA-N 464.522 2.283 10 20 JECD COc1ccnc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1 1832900618 JFZMWCKNKQJAGZ-SFHVURJKSA-N 476.624 2.184 10 20 JECD Cn1cc(CCC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)cn1 1834821340 KANOMSIZAPKUAK-UHFFFAOYSA-N 490.004 2.303 10 20 JECD Cn1cnc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1C(F)(F)F 1838031624 WYVMVGJNWRHSSI-UHFFFAOYSA-N 497.474 2.171 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2cnco2)C1 1841729390 JPZPKTKWEXFURF-GOSISDBHSA-N 469.542 2.210 10 20 JECD O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845500435 BDTXMFRYGGAYQB-OAHLLOKOSA-N 461.946 2.359 10 20 JECD O=C1COc2ccc(C(=O)N3CC4(CCCN4C(=O)c4cc(O)c(O)c(Cl)c4)C3)cc2N1 1845501428 OKBPCZHRSVEPPT-UHFFFAOYSA-N 457.870 2.213 10 20 JECD CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037994 XSWHVBADKWUZFX-TXGSYGBCSA-N 499.564 2.418 10 20 JECD O=C(c1ccc2sccc2c1O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055894 UALCSLWKIRQORN-UHFFFAOYSA-N 461.590 2.284 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(=O)c3ccccc3o2)=NN1c1ccccc1 1847423487 VPVVTCNFDUDVBW-PMACEKPBSA-N 470.485 2.401 10 20 JECD COC(=O)CSCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 21184671 GJGRMOBAKCBJCA-UHFFFAOYSA-N 466.581 2.204 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)c1 726627835 NSHUYTHXGOZIQC-UHFFFAOYSA-N 475.548 2.495 10 20 JECD Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 729523075 GAKFQHARAZEAPM-UHFFFAOYSA-N 455.534 2.228 10 20 JECD COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)NCc3cccc(OC)c3O)cc2)C1 729550224 CBGLSDZFGBXKFP-MRXNPFEDSA-N 477.539 2.296 10 20 JECD CN1CCCc2cc(CNC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21 746718389 CKZGKIIIIGLPPM-UHFFFAOYSA-N 458.584 2.089 10 20 JECD Cc1c(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)cccc1C(=O)N1CCCC1 749031165 OOSPYJJPMGAQHW-UHFFFAOYSA-N 450.539 2.323 10 20 JECD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCc1ccc(N2CCC(CO)CC2)cc1 917085175 FAEDMEXYLASYGZ-UHFFFAOYSA-N 490.582 2.437 10 20 JECD Cc1cc(=O)oc2cc(OCC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)ccc12 918333645 AEOCCHNORNGEGQ-UHFFFAOYSA-N 456.520 2.031 10 20 JECD COC(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1 919055581 IWDJFPDQEMLYOU-GJZGRUSLSA-N 459.474 2.094 10 20 JECD CCCCCNC(=O)C1CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 920255111 BGZLKWJXGOSEPY-KHPPLWFESA-N 470.614 2.445 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cccc2cccnc12 1778460616 JPLQYQGVUNCJBK-KBMIEXCESA-N 462.506 2.482 10 20 JECD O=C1Cc2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)ccc2N1 1782005472 ILMOLLGHWGUAKO-HSZRJFAPSA-N 471.897 2.003 10 20 JECD Cc1cc(C)n(CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)n1 1782438934 ZMQSENYPBIKBEF-YRHVXKOMSA-N 498.580 2.234 10 20 JECD Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785510138 OIVSVYLUJCTCPN-PTGVWUEVSA-N 456.470 2.408 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cc(O)cc([N+](=O)[O-])c1 1790217001 GZGSJTLLDWAWQL-UTLVKMTRSA-N 491.884 2.272 10 20 JECD C[C@H](Oc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1791656006 XEPMXVCDUCEZPD-CXIBIASBSA-N 475.929 2.207 10 20 JECD CC(C)(C)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)s1 1792238955 CICQZTNGQGVNHH-KKUMJFAQSA-N 495.692 2.499 10 20 JECD CN[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2)C(=O)O 1796092574 BIVYYIDPUATLDF-FVTFTPSCSA-N 452.555 2.409 10 20 JECD CC(C)(C)OC(=O)NCC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)CC1 1796600813 FXBXNTSJLXCRAB-MUJYYYPQSA-N 460.531 2.050 10 20 JECD CCc1ncsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1798765597 CRMVLSUJIBHSCL-DRXBFXEBSA-N 451.932 2.287 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(F)F)no1)C2)c1cc(O)c(O)c(Cl)c1 1799770729 AVQRQNKLUGWFBW-KEODLESXSA-N 457.817 2.194 10 20 JECD Cc1cccc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)n[nH]c12 1800074717 QXYFCINBCFSKFM-HBCWATKFSA-N 470.913 2.453 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(O)c([N+](=O)[O-])c1 1800348630 QHOVVAPMQBGOTM-AKNOBNDCSA-N 469.450 2.382 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)[C@H]1CCCCO1 1802590539 YEFFHDSQFOFSCQ-XLUPVJHTSA-N 467.522 2.487 10 20 JECD CC[C@@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1802882875 XPKMLXQKWIBGGS-ZTNFWEORSA-N 474.945 2.381 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)[C@@H]1[C@H]2Sc3ccccc3[C@@H]21 1804333217 IDGMQRKPQUKLGG-HDQDAVINSA-N 473.645 2.373 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)Cc3cnccn3)C2)CC1 1805726618 FHBCVFCKJWFOLT-HWKANZROSA-N 452.511 2.081 10 20 JECD CC(C)N[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)C(C)C 1807328583 GOPGLJZKHIHZGV-HSQYWUDLSA-N 455.559 2.230 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807990882 CFYYCGIUDNHPKM-UVFQYZLESA-N 485.541 2.121 10 20 JECD Cc1cc(C)n(CC(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n1 1808465464 VELFPAVLZGILRC-QFQXNSOFSA-N 499.575 2.394 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808467313 BURSQDPNHFOZMO-JJCHBBGLSA-N 487.560 2.448 10 20 JECD CC(=O)C[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808470634 XJZWGBYYNPFNHH-IQOKHDRSSA-N 475.549 2.496 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC2(CCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)CC1 1810828231 DIARFJMMMIDKGV-FQEVSTJZSA-N 450.539 2.052 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811796237 FSXCAYRFNDGZBC-ZXYWRSMDSA-N 495.985 2.147 10 20 JECD COc1cccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1811843382 DITYMMYDISJFJP-LAUBAEHRSA-N 484.603 2.270 10 20 JECD Cc1nccc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1814164237 VYZLRLXIZJDNBR-OPWPMMOYSA-N 475.505 2.330 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814190022 OHXAQBVSSXBKQW-ZJBJCVSYSA-N 498.630 2.415 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)c21 1816727350 QCRMZPQXPVMSPM-NSHDSACASA-N 480.506 2.081 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)no2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146840 INNNYFSOBPRZIT-MRXNPFEDSA-N 463.454 2.202 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(F)cnc3Cl)CC2)CC1)c1cc(O)nc(O)c1 1834988931 VTUCULQGDIQPEF-UHFFFAOYSA-N 477.924 2.179 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cccc(F)n3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132771 MLDHZZCBJCSEKL-UHFFFAOYSA-N 492.555 2.199 10 20 JECD O=C(CCc1cc(F)ccn1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837145948 XFYYAGQCHVEQQG-UHFFFAOYSA-N 472.517 2.272 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc(N4CCCC4)ccn3)CC2)CC1 1838031421 CZUKGMRXMJEFCD-UHFFFAOYSA-N 495.580 2.414 10 20 JECD O=C(CCc1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432724 YKJXTQXUTMKRIF-JOCHJYFZSA-N 464.902 2.047 10 20 JECD Cc1ccc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1840666280 MLIFEHSDBNBHCX-WHVGEVHXSA-N 482.533 2.204 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@H]2F)C1 1845094589 ITAZNJIFFRPQLK-BBWFWOEESA-N 477.533 2.095 10 20 JECD COC(=O)c1ccc(CC(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1846475662 HCRJOSIOVMXNED-UHFFFAOYSA-N 474.517 2.012 10 20 JECD O=C(CN1CCc2sccc2C1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847033972 RUOQXBFNWQSHBJ-HWKANZROSA-N 469.563 2.140 10 20 JECD CCn1c(C)nnc1SCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 726432815 YJXFRSHQFMICFR-CXUHLZMHSA-N 491.620 2.445 10 20 JECD NS(=O)(=O)c1ccc(N2CCN(Cc3c(O)ccc(C(=O)c4ccccc4)c3O)CC2)cc1 728195306 JEJLPBIRJSWHJD-UHFFFAOYSA-N 467.547 2.298 10 20 JECD CC(C)c1noc(OCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)n1 730730937 BVTVKPZCGHARLU-NVNXTCNLSA-N 476.536 2.318 10 20 JECD CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 743432758 QKPZNGCYRONYNW-UHFFFAOYSA-N 481.597 2.054 10 20 JECD COc1c([N+](=O)[O-])cc(N2CCN(C(=O)[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1Br 835074106 HNESVGYPRREYHI-GFCCVEGCSA-N 459.253 2.102 10 20 JECD Cc1ccc2oc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3cc(O)nc(O)c3)C4)cc2n1 1777722302 URRXCDSHOIXVKQ-NTKDMRAZSA-N 466.494 2.384 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1778253436 XWCBXCCABKXSGI-AUSIDOKSSA-N 458.898 2.198 10 20 JECD COc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cn1 1782003285 HIAPJACOEKPGNY-QHCPKHFHSA-N 475.929 2.231 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)cc1 1782676375 ILCJUUFEHKHQRA-AREMUKBSSA-N 491.548 2.112 10 20 JECD C[C@H]1CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)CC1 1783247046 NRIKXTRSKVSTGL-PEOGOYOCSA-N 467.657 2.187 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCCO3)CCO2 1785505104 BGZXJJPWOZXNBN-RSCNSQJMSA-N 494.544 2.214 10 20 JECD CC(C)(C)Oc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1785545324 PCGZBBASAXQQBB-QHCPKHFHSA-N 491.635 2.168 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)cc1OCC1CC1 1790189152 FUTRXSVPGYKPDF-JLMWRMLUSA-N 497.548 2.197 10 20 JECD COc1cc(C)ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1791943584 SHKHRZNIBNRCPK-AIBVMGEKSA-N 482.533 2.427 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(F)c3)C[C@@H]21 1792218551 LIFAHZFOCPNSBA-QOGCKDPTSA-N 488.487 2.317 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3cc4n(n3)CCCO4)CCC2)cc1 1792315199 OXUHZRQRLXKDHU-UHFFFAOYSA-N 485.591 2.274 10 20 JECD CN(C)c1ncc(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)o1 1808032132 JSCDICWFIGJKKL-FNORWQNLSA-N 470.526 2.416 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnco2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808463325 CGTWKZVCOVNKRQ-JTSKRJEESA-N 458.478 2.182 10 20 JECD CC(C)(O)CC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808468683 XFZVPDYTRFLHGH-JPYJTQIMSA-N 463.538 2.041 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc(OCCCO)cc1 1811380045 SOKQDSXMZCMODO-YADARESESA-N 492.532 2.282 10 20 JECD CCc1ncsc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1811645142 XXBPKUFJLMEQNI-KSSFIOAISA-N 489.648 2.280 10 20 JECD COc1ccccc1CC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814189402 GWOVMAXDWXFGTD-FDDCHVKYSA-N 498.630 2.199 10 20 JECD O=C(CNC(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1815924104 YCUXAVMHXNQMPG-CQSZACIVSA-N 470.511 2.013 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc(-c3ccccn3)nc1)CC2)c1cc(O)nc(O)c1 1816722240 VGVRHYDRHZQHJB-AWEZNQCLSA-N 489.517 2.341 10 20 JECD COCCOCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1817050064 OWPAEJPDSQHLIY-HNNXBMFYSA-N 452.895 2.443 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145733 IAZDYVPHJHDUMX-BEFAXECRSA-N 479.541 2.109 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2nc[nH]c2c1 1819067784 QGNXMHWRCAMGSY-LBPRGKRZSA-N 450.480 2.365 10 20 JECD CN1CCC[C@@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)C1 1822549275 VXXUMKWHKNGGAW-HZPDHXFCSA-N 480.594 2.190 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3nccn23)[nH]n1 1823499388 DIGQSXSNDAQUFF-AWEZNQCLSA-N 483.579 2.224 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cccnc1Cl)CC2 1828244041 ZHDZFCLLNMOJJP-SECBINFHSA-N 482.012 2.278 10 20 JECD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)n1cncn1 1832204368 UUPXTFJHAYGFQZ-PGRDOPGGSA-N 477.569 2.252 10 20 JECD Cc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cn1 1837199439 HPXNPVLRCXUJQL-UHFFFAOYSA-N 454.527 2.051 10 20 JECD CC[C@H](C)[C@@H](N)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1837851547 FNCPPDQXGDOIRM-KYGQDUPUSA-N 475.586 2.189 10 20 JECD O=C(c1cc(-c2ccncc2)[nH]n1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442000 ZZHAJJNGAWUYHJ-UHFFFAOYSA-N 469.505 2.082 10 20 JECD O=C(C[C@@H]1COc2ccccc2O1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034134 BBLCIOUWSXDDEB-UGAXZCSASA-N 466.490 2.250 10 20 JECD COc1cc(Br)c(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)cc1OC 727178305 UWBIUTGCRGWYIY-QPEQYQDCSA-N 481.415 2.217 10 20 JECD CN(C[C@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1)C(=O)OC(C)(C)C 729474484 KXXOYQZQTRRWPB-LJQANCHMSA-N 464.582 2.467 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3cc(NC(C)=O)ccc3OC)CC2)cc1 748965267 BMHCWPHHUAPWJP-UHFFFAOYSA-N 476.599 2.153 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCN(C(=O)[C@@H]2CCCO2)CC1 916633656 JUQKGPQWESEIGK-IBGZPJMESA-N 470.492 2.075 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)CC2)cc1 917063673 NCDZGQPEOFHTNU-UHFFFAOYSA-N 475.593 2.212 10 20 JECD COc1ccc(N2CCCN(S(=O)(=O)c3cc(OC)c(OC)c(C(=O)O)c3)CC2)cc1 917759687 UEFIHKUSNYCTOY-UHFFFAOYSA-N 450.513 2.312 10 20 JECD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)cc1 917832359 UPYOLWLWWMLXSS-JOCHJYFZSA-N 498.649 2.414 10 20 JECD CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 918284500 HXJJCHOPDIPEQD-UHFFFAOYSA-N 456.518 2.399 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3Cn3cncn3)cc2F)C[C@@H](C)O1 918287037 NBZBPUUJDKQQLH-CALCHBBNSA-N 466.517 2.334 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3cccc(Br)c3)cc2)C1 918373279 VCFDWVOUXHCXLS-QGZVFWFLSA-N 473.371 2.197 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)CC2)cc1 919224528 DXTCEHLFVBUSDS-UHFFFAOYSA-N 458.427 2.326 10 20 JECD Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)NCCCN(C(C)C)S(C)(=O)=O 919568718 HWEPVTDYUJZGRV-UHFFFAOYSA-N 455.602 2.489 10 20 JECD O=C(CN1C(=O)CCOc2ccccc21)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919697736 IAALNISHIXFESO-UHFFFAOYSA-N 490.539 2.374 10 20 JECD COCCN1C(=O)/C(=C/Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)C(=O)NC1=S 920974833 UXXQUDJOAPEQPG-QGOAFFKASA-N 454.508 2.133 10 20 JECD CC[C@@H](C)[C@@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781121442 WQTMWLBTGXUFDY-JKWAKEATSA-N 453.967 2.252 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cccn4nccc34)C2)C1 1782335950 SZIQINGKAGBXHB-JOCHJYFZSA-N 456.886 2.156 10 20 JECD Cc1cccc(F)c1C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1784936104 LABINMGVXYWAOP-VWLOTQADSA-N 464.497 2.371 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1csc3c1CCCO3)CCO2 1785508262 CYLWXUIUIZJFJA-JIBKAZCMSA-N 486.546 2.347 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)C[C@@H]21)c1cc(O)nc(O)c1 1787291123 JJZRHMNTYSFOKY-VZZMYQLRSA-N 492.576 2.464 10 20 JECD COc1ccc(COCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1801108863 JMUGNWDUQWFLKH-FAQVEIGNSA-N 490.940 2.180 10 20 JECD C[C@H](NNc1ccccc1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807991705 IQVFZZSTACYLPN-TXBYWVTISA-N 476.537 2.213 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccn2nccc2c1 1810045220 QIXVQUNJNSOERW-VGSWGCGISA-N 458.478 2.169 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)CC1 1810550066 SANGHLJYAJBEAK-UHFFFAOYSA-N 474.558 2.395 10 20 JECD CCCNC(=O)CCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162766 XIMDYDNDMPMCJJ-OXOXJNMLSA-N 496.564 2.224 10 20 JECD CCc1ncccc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814185816 UXXVBXWWGCWBAK-KKSFZXQISA-N 483.619 2.219 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccccc2)[C@@H]1c1cccnc1 1814190254 VBNXVFXLXHZWQP-YLJYHZDGSA-N 454.577 2.262 10 20 JECD CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1815167735 MXQYJDQLVODUBJ-NHYWBVRUSA-N 499.977 2.108 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)o1 1817846253 MXPFBFRBXTYMKR-CQSZACIVSA-N 454.443 2.387 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3ccoc3cn1)CC2 1828246936 JQBOGVORIULVBX-NSHDSACASA-N 487.588 2.370 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccncc2)CC1 1830180561 PGOVLLOZJDNYRJ-SFHVURJKSA-N 460.625 2.104 10 20 JECD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)n1ccnn1 1831173217 IQRUREBVMDLPLT-GCJKJVERSA-N 477.569 2.252 10 20 JECD Cc1ccncc1CCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833828850 BPTDCRDCRXXUCB-UHFFFAOYSA-N 467.570 2.014 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)C1CCC1 1834354956 FRKIVKNLADJVLA-UHFFFAOYSA-N 451.571 2.151 10 20 JECD O=C(/C=C/c1ccccc1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1834523472 UOLHZODYJVPKOQ-VOTSOKGWSA-N 450.539 2.391 10 20 JECD CC[C@@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1835913738 GTRJOHVWCOMJJV-ZEQKJWHPSA-N 468.598 2.162 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cnc4ccccn34)CC2)CC1 1838031565 PKNVMXKTSFSLDX-UHFFFAOYSA-N 465.510 2.067 10 20 JECD CCC1(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)COC1 1838110353 BACFZOBUYKALBT-UHFFFAOYSA-N 482.581 2.205 10 20 JECD Cc1cc(C(=O)COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c(C)n1-c1cccc(F)c1 23469082 MSFZQEHWIBBBOU-SFHVURJKSA-N 489.525 2.125 10 20 JECD COc1ccc(N2CCCN(c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[N+](=O)[O-])CC2)cc1 108090776 ITKVAKGWTMQZEC-UHFFFAOYSA-N 489.598 2.256 10 20 JECD CCN=c1nc(NCC)n2c(SCC(=O)NCc3ccc(N4CCC(C)CC4)cc3)n[nH]c2n1 731015789 GRWOVGMJZWYKAB-UHFFFAOYSA-N 483.646 2.450 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccccc3OCCN3CCOCC3)cc2)C1 744291885 KNQRDXOQABIIDY-QHCPKHFHSA-N 495.624 2.099 10 20 JECD Cc1cc(C(=O)COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1-c1ccc2c(c1)OCCO2 748918381 WUHATJDYUNSTTJ-UHFFFAOYSA-N 467.434 2.361 10 20 JECD C[C@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 748918619 YJTUQCSNCUDJHT-ZDUSSCGKSA-N 475.413 2.102 10 20 JECD O=Cc1ccc(C(=O)OCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 825183246 GIJWQLWUXGEGHD-GRSHGNNSSA-N 498.538 2.402 10 20 JECD Cc1cc(C)nc(-n2nc(C)c(CC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2C)n1 917835015 WZQNSLRXCAGVSX-OAQYLSRUSA-N 475.597 2.457 10 20 JECD COC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 918276258 BZKQQAZAOMOQLM-UHFFFAOYSA-N 495.454 2.349 10 20 JECD Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1-n1cnnn1 918278080 RMITZRBHFSXXQG-UHFFFAOYSA-N 489.458 2.081 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(-n4ccnc4)nc3)cc2F)C[C@H](C)O1 918285958 CIONOELZEXGWHF-HOTGVXAUSA-N 452.490 2.275 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(-n4cnc5ccccc54)nc3)cc2)C1 918466316 ZKSCSYREJCMWIO-IBGZPJMESA-N 497.559 2.377 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)nc12 919135070 NDGRXEDBSPNRQD-UHFFFAOYSA-N 473.507 2.008 10 20 JECD COC(=O)N(C)c1ccc(NC(=O)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 920185227 DNDMAVNIQLXYGT-UHFFFAOYSA-N 483.569 2.165 10 20 JECD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccc(O)cc1 1781263794 BXDQPWQBHFJFPN-RPNGFCFTSA-N 468.506 2.156 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)cc1 1781753360 GSCFXQQHBFAZPP-MHZLTWQESA-N 474.561 2.400 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1O 1782008291 YIDOUNJRRSJHAF-HSZRJFAPSA-N 489.912 2.173 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009666 YMFVOMCVYCQGRD-PEBXRYMYSA-N 461.902 2.057 10 20 JECD C[C@](O)(C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1)C(F)(F)F 1786599422 ZSDRQQJFBXLGDP-KRWDZBQOSA-N 475.514 2.294 10 20 JECD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1)c1ccc(O)cc1 1787540139 ITPPDQSAKOZUFF-JYFRSGACSA-N 490.560 2.268 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncsc4[nH]3)C[C@@H]21 1792217582 AGEFREHCYFQNJI-KCVUBDHBSA-N 484.534 2.048 10 20 JECD CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)CC1 1796605598 UIQMMBRVQVHNNF-BCDXTJNWSA-N 474.558 2.392 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)C1 1797714189 PXUFLGIISVGWOD-FNLKRUPLSA-N 495.580 2.284 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1sccc1Cl 1798285808 KRUKTWACCAPHPA-ZAHULMEISA-N 464.927 2.435 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1802864438 ZOLQALGPZRHVBZ-YYFZDKIDSA-N 485.541 2.121 10 20 JECD Cc1ccc(CCC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cn1 1804483136 WCUFGSOLZQXNRB-XXBNENTESA-N 497.646 2.284 10 20 JECD Cc1nc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccc1F 1807992001 UAWXPRHLECTJIJ-VFNWGFHPSA-N 451.458 2.364 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807993190 FOKKNKBEMNEQSH-LUQKVYGDSA-N 499.568 2.368 10 20 JECD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)on1 1808463281 BLXBXBBWWIAVJN-DFBJGRDBSA-N 486.532 2.419 10 20 JECD C[C@H](Cn1cccn1)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808463704 FIAZIDPHOBPCTO-DZRGJMJISA-N 499.575 2.413 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc(Cl)cn1 1810748694 KZJAOTRUKUZQEM-KUHUBIRLSA-N 490.010 2.310 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccccc1-n1nccn1 1811470247 NLKYMQWLJQGGKP-UZUQRXQVSA-N 485.504 2.102 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(CO)on2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811806789 SKPYPCGNWHCLRU-DJJJIMSYSA-N 472.885 2.260 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)n1cccc1 1813315247 RUDUHJAFXZHSAM-SYNHAJSKSA-N 471.608 2.010 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cnoc2)[C@@H]1c1cccnc1 1814163548 HGBAWXBJLDRCRH-SFFRXTGVSA-N 450.451 2.219 10 20 JECD COC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815305558 MJKAVKIBGOKUNF-BEFAXECRSA-N 452.515 2.477 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)n1cccc1C=O 1815382521 HOYASDHBBGLGDF-AAEUAGOBSA-N 455.496 2.050 10 20 JECD C[C@@](O)(C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)C(F)(F)F 1817363715 MAUXUEWXPDCBNC-BIBXISHDSA-N 495.483 2.161 10 20 JECD C[C@@H](Cn1cncn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1819545054 IQEMLJAGRQXVKK-LRPCFIKCSA-N 481.513 2.160 10 20 JECD CCn1nc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cc1C 1819909720 RKDIQBGOMXNTHK-OAHLLOKOSA-N 475.600 2.101 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)C2=CCCS2)[nH]n1 1823497533 WTCUUDYMZBFPNT-GFCCVEGCSA-N 451.599 2.283 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccnc2)CC1 1826079116 VPLNOHOKOZRIIW-QFIPXVFZSA-N 462.554 2.296 10 20 JECD Cn1cccc1C(=O)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828199733 FNTJWJGCFMFEAR-OMDQHUAHSA-N 482.518 2.107 10 20 JECD Cc1cnn([C@@H](C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1 1832899219 BILJPAUCSHPDQQ-WMZOPIPTSA-N 477.656 2.233 10 20 JECD Cc1cnc(Cl)c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834988159 PWSGXHALLJCZEQ-UHFFFAOYSA-N 473.961 2.349 10 20 JECD Cc1c(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)ccc2c1OCCO2 1835030906 KPOWQAOJLQARHZ-UHFFFAOYSA-N 496.564 2.071 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)n(C(F)F)n1 1838030368 SQITYEXENNSAEK-UHFFFAOYSA-N 479.484 2.319 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 1842787463 OKDXRKOCOZXLLK-UHFFFAOYSA-N 487.525 2.191 10 20 JECD C[C@H]1[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CCCN1C(=O)OC(C)(C)C 1843250577 NGCWHHKCFDNBPG-RDJZCZTQSA-N 474.558 2.345 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cnn3c(-c4cccs4)ccnc23)C1 1843302488 ZQHQOFCXZYQXGQ-UHFFFAOYSA-N 476.518 2.395 10 20 JECD O=C(c1ccc2ncncc2c1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441794 QBEPMYVZTXKCFI-UHFFFAOYSA-N 454.490 2.240 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2ccc(-n3cccn3)nc2)C1 1844523316 VAAYOFFKODIBHS-UHFFFAOYSA-N 453.886 2.463 10 20 JECD COC(=O)CSCc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 728760114 ACYMYLVHSMBYFV-UHFFFAOYSA-N 489.569 2.448 10 20 JECD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 729522820 UKFPJMHJPHEBHH-FQEVSTJZSA-N 489.502 2.447 10 20 JECD COCCN1CC[C@H](NC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)C1 730787711 PSRKCWSYSNJZEM-HEUOVEHFSA-N 484.441 2.487 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)cc1 742920223 GYYGSQFQJXBGIY-UHFFFAOYSA-N 486.638 2.007 10 20 JECD COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 746990869 UDMBZDRIHLSUGT-IBGZPJMESA-N 496.564 2.217 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1)c1ccc(N2CCOCC2)cc1 748472558 YRKIAMNDAJCQRV-QGZVFWFLSA-N 456.518 2.315 10 20 JECD C[C@@H](OC(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 915402802 ABHNKGLBHAYQOS-CQSZACIVSA-N 497.463 2.448 10 20 JECD Cn1cccc1C(=O)N1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 917125986 INDVATKRBBPQJZ-UHFFFAOYSA-N 456.502 2.197 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CS(=O)(=O)c3cccc(Br)c3)cc2)C1 918673273 ORHVHJVJUOOMSF-INIZCTEOSA-N 494.411 2.241 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)Cc3c(C)nc4c(c(C)nn4C)c3C)nc12 919299275 BRNMWCGAPBJYGG-UHFFFAOYSA-N 452.471 2.104 10 20 JECD O=C1O[C@@H](C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)Cc2ccccc21 919698228 XTDFYFJMBYMETO-JOCHJYFZSA-N 461.497 2.340 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(c4cccc(OC)c4)CC3)CC2)cc1 1324194855 GAIAVKRVLLGWFP-KHPPLWFESA-N 464.566 2.257 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1[nH]cc3c1CCC3)C2)C1=NN(c2ccccc2)C(=O)C1 1778127775 MGOMAWUOIHSUKQ-AJTFRIOCSA-N 489.576 2.424 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3c(F)cccc3F)C2)C1 1780498048 PYPPQGVWTNRNGJ-NKOINVLESA-N 460.433 2.239 10 20 JECD O=C(CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)Nc1ccc(F)cc1 1782007314 CBTUXQVDAKDCLP-QHCPKHFHSA-N 491.903 2.363 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)c1ccccc1)C2 1783219776 CIKDSQSCMWUWGW-NMWJHDRCSA-N 482.533 2.064 10 20 JECD C[C@@]1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)CC1(F)F 1783222774 LHFUEKDFYCKBKM-OEYZGZHASA-N 466.481 2.376 10 20 JECD CC(C)c1nn2ccccc2c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787291054 BQFSSLOIKPHXFX-IEZWGBDMSA-N 479.537 2.171 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790244930 FWBRUYRXPNDSLQ-HTZUNMPGSA-N 497.939 2.443 10 20 JECD C[C@H](C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1)n1ccnc1 1792314673 NTDRVXQLFZMYFB-CQSZACIVSA-N 457.581 2.439 10 20 JECD CC(C)(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cn1 1792443366 MQZVIRLNWAYMGX-MUJYYYPQSA-N 460.625 2.491 10 20 JECD CC[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2)NC(=O)OC(C)(C)C 1800187390 BKVZQLXDACYRFN-LVQVYYBASA-N 498.671 2.178 10 20 JECD C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)Oc1ccccc1 1800343795 SJZZMIAFXUPMAI-IMEVERKTSA-N 482.533 2.264 10 20 JECD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1Cl 1801791573 AJBMKVMRKIOBBX-GPVSGQMNSA-N 496.951 2.345 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Cl)c(F)c1)C2 1802078782 GGRDNXPIMAUHED-OQQDEAHASA-N 490.915 2.441 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3cccs3)on1)C2 1802080579 XBRCAXBYVWASLB-HGTBEIHSSA-N 497.529 2.437 10 20 JECD CC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)o1 1804286379 SIWUDZZWYGUQQB-OVYMSRNUSA-N 455.467 2.320 10 20 JECD Cn1c(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)cccc1=O 1805312307 CSVFWROVTJFMGX-BTYIYWSLSA-N 482.924 2.478 10 20 JECD COc1cnc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cn1 1806049568 ATHLVYLSKSUZKA-FERYEXAHSA-N 491.504 2.030 10 20 JECD COc1ccc(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)s1 1807506497 OUWWBVFPBNEDBB-UHFFFAOYSA-N 467.638 2.462 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1807999758 FVERAVRCLPPMPB-FDDCHVKYSA-N 475.505 2.480 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1nc2ccccc2[nH]1 1809046068 SPXSWCVGTDJSBD-FOIQADDNSA-N 494.602 2.138 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2nccn2c1 1809411539 IRSPFLNJFIIKSL-AOMKIAJQSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1n[nH]c2ccccc12 1809829649 DEUBYWQDDKESEV-VFNWGFHPSA-N 494.602 2.138 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(C(=O)O)ncn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811797564 GMVLLCREWVAOSC-DJJJIMSYSA-N 497.895 2.268 10 20 JECD O=C1CCc2ccc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)cc2N1 1812265921 FBXMGBPSEVLQGG-KOSHJBKYSA-N 487.516 2.406 10 20 JECD O=C(CCN1CCCC1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814270404 WDGGLBCGSNERTR-PAQDKISJSA-N 480.565 2.404 10 20 JECD CCOc1ncccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1814339086 NEARHCYFARIUMJ-OAHLLOKOSA-N 488.595 2.370 10 20 JECD COC(=O)[C@@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)C1 1814860493 ACMOSVYIAMNMBW-ZENOOKHLSA-N 457.487 2.111 10 20 JECD CCc1[nH]nc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)c1Cl 1815809653 ZIPRRLAKHNJQDN-VIFPVBQESA-N 462.919 2.428 10 20 JECD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716454 NLGUODUHTMDZMQ-LJQANCHMSA-N 493.524 2.344 10 20 JECD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)n1cncn1 1827717632 QTSJKMZHKWCADP-PGRDOPGGSA-N 477.569 2.252 10 20 JECD Cc1cnn(CC(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)c1 1828199621 ZOFXOHYEFOFCEV-UFZAZABTSA-N 469.523 2.090 10 20 JECD O=C(Cc1cncnc1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876570 IMSSYQZBYUQXCV-ZEZYUPADSA-N 466.538 2.469 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)[C@H]1CCC=CO1 1835725038 QFHMILCYVBZLQR-GZNAHNRGSA-N 471.554 2.081 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc(O)cc3F)CC2)CC1 1838030246 ILQBRRIYGZYQIK-UHFFFAOYSA-N 459.474 2.264 10 20 JECD O=C(CCn1ccnn1)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838688608 OYKNELMUKIYKRZ-UHFFFAOYSA-N 477.949 2.045 10 20 JECD Cc1ncc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)s1 1840519571 MZWGNYPHZXNYBN-ZZTDINLMSA-N 493.969 2.300 10 20 JECD CC(C)n1nc(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1C(=O)O 1842261098 VOJOSMUXCOFGHT-UHFFFAOYSA-N 462.890 2.358 10 20 JECD O=C([C@@H]1CC(c2ccccc2)=NN1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845502195 ZOEIIQYXVGECOV-SFHVURJKSA-N 454.914 2.334 10 20 JECD CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 726277438 NWBINXBBAJYGCF-HXUWFJFHSA-N 485.551 2.284 10 20 JECD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)Cc2ccc(N(C)C)cc2)o1 915060510 KZRHKUDCGOOCJD-SFHVURJKSA-N 463.556 2.334 10 20 JECD Cc1cc(=O)c(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nn1-c1ccccc1[N+](=O)[O-] 917833090 LUVREJQWUDCLLQ-GOSISDBHSA-N 490.520 2.081 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)cc2)C1 918118631 UUIUDWMFZWFSGR-VWNXMTODSA-N 465.598 2.089 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCc3cccc(S(N)(=O)=O)c3)cc2F)C[C@@H](C)O1 918212221 XTAKPLCRDIOTNH-HUUCEWRRSA-N 450.536 2.086 10 20 JECD CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918284388 DNDKYZSKDNCVSO-UHFFFAOYSA-N 462.909 2.272 10 20 JECD COc1ccc(NC(C)=O)cc1NC(=O)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 918442117 DKKJMISEMMLIRT-UHFFFAOYSA-N 454.527 2.117 10 20 JECD CC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 918463228 JMFRCNDTXKRQQJ-IBGZPJMESA-N 479.581 2.172 10 20 JECD Cc1cc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1Br 918569386 YYALPQJGCFOBHV-OAHLLOKOSA-N 482.400 2.280 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H](NC(=O)c3ccco3)c3ccccc3)nc12 918941096 IPYCCOGIKICCLN-IBGZPJMESA-N 464.434 2.419 10 20 JECD COc1cc(OC)c(NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1Cl 920635002 AXYPNTUTZALGNE-UHFFFAOYSA-N 458.876 2.230 10 20 JECD Cc1cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c(C)n1-c1cccc(Br)c1 921165942 PXWBWPVYHYBWAW-UHFFFAOYSA-N 483.432 2.164 10 20 JECD COc1cc(C)ccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777851745 QHUPUAWXIHUPGY-NTKDMRAZSA-N 455.511 2.251 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cccn4ccnc34)C2)C1 1778581729 JGYWAZJVIFMBDG-JOCHJYFZSA-N 456.886 2.156 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@]1(F)Cl)C2 1783222867 PLPWSRWCRPYBSA-SEKVQACRSA-N 468.909 2.255 10 20 JECD O=C(CCc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1786415630 FPYXHSRFOJBWQV-SSPYTLHUSA-N 474.561 2.392 10 20 JECD CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C[C@@H]21 1786440299 BJTAIPOFBQNVOT-UVUJQTEASA-N 488.629 2.484 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)C1CCSCC1 1792291929 QRFTZOOOVVBZMX-YEWWUXTCSA-N 454.976 2.488 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1ON=C(c2ccccc2)O1 1798330417 HKPJGMTVWCQQMN-UHMFHEDWSA-N 479.489 2.190 10 20 JECD CC(C)c1csc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)n1 1804330981 NATKXOQVQAPNLG-CLLJXQQHSA-N 452.627 2.379 10 20 JECD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804336138 YGAFGCBKGBVKTB-CLLJXQQHSA-N 480.543 2.154 10 20 JECD Cc1nnc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)o1 1807478262 GQNCNBUJBBNEIG-JLTOFOAXSA-N 471.901 2.400 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnc(C(F)(F)F)cn2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993408 KGSYDKZRUFSPCK-ORAYPTAESA-N 488.426 2.330 10 20 JECD COC(=O)CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807997879 GEUKEIQZKNJRNK-UZUQRXQVSA-N 470.526 2.331 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C(F)F)no1)CC2)c1cc(O)nc(O)c1 1816722101 CRFUWNVEZOHNOY-MRVPVSSYSA-N 451.411 2.415 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823501161 ONOFDPVFNUGQME-DZGCQCFKSA-N 488.595 2.125 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823501202 PNWMCRHCDADNHO-HOTGVXAUSA-N 478.644 2.135 10 20 JECD CCC1(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)COC1 1828197552 AXFVWYZBGWTUFY-FLUIGGAXSA-N 459.524 2.312 10 20 JECD CC(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCN2C(=O)OCc2ccccc2)C1 1829037658 UMRNUNKQUDGERY-RUZDIDTESA-N 482.537 2.215 10 20 JECD Cc1nc(N)sc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898308 KAYLPSXRAUSQAJ-AWEZNQCLSA-N 481.669 2.127 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(N2CCC(NC(=O)C3(C(F)(F)F)CCC3)CC2)CC1 1834644630 YXXZMHHRZQKARI-UHFFFAOYSA-N 470.492 2.411 10 20 JECD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc(C)c1C(=O)O 1834987254 JGKQMJKEPURPEY-UHFFFAOYSA-N 496.564 2.307 10 20 JECD CN(C)c1cccc(OCC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1837087279 GNVDMVKZNODDTL-UHFFFAOYSA-N 498.580 2.250 10 20 JECD CCC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1839831573 XDEMWDUUFZIETI-RUZDIDTESA-N 453.539 2.143 10 20 JECD O=C(Cc1cccc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843440727 FOPMNMKGKOLUEV-UHFFFAOYSA-N 461.478 2.134 10 20 JECD O=C(COC(=O)c1ccccc1-n1cnnn1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9840559 RGRBFHRRCZQKPL-UHFFFAOYSA-N 453.414 2.233 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 16134829 DUGNRAZMOUUYDB-QFIPXVFZSA-N 473.595 2.253 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)N[C@@](C)(c2cccc(N3CCOC3=O)c2)C1=O 725766172 VEUXRYLWWAITAB-SANMLTNESA-N 493.564 2.336 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(N4CCCC4)nn3)cc2F)C[C@@H](C)O1 727874563 JWPPUCSFIIKMFQ-CALCHBBNSA-N 471.533 2.303 10 20 JECD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCc1ccc(N3CCSCC3)cc1)OCCO2 728294596 OHPMEAJYKRSNOU-UHFFFAOYSA-N 451.526 2.398 10 20 JECD O=C(COC(=O)[C@H]1CCCN1c1ncnc2sccc12)NCc1ccc(N2CCOCC2)c(F)c1 728673218 PGESCJJQFRDPHG-HXUWFJFHSA-N 499.568 2.495 10 20 JECD CNS(=O)(=O)c1cccc(NC(=O)CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 729686933 SJXIPSZFQJBHBI-UHFFFAOYSA-N 461.544 2.222 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CN3c4cccc5cccc(c45)S3(=O)=O)CC2)cc1 742927558 UUCKSNOOEKKYCT-UHFFFAOYSA-N 480.590 2.296 10 20 JECD COCCNS(=O)(=O)c1ccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 916625847 RVCUHGBGRISNNX-UHFFFAOYSA-N 478.640 2.164 10 20 JECD C[C@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 917874445 LXCRINGENAXUKJ-AWEZNQCLSA-N 489.484 2.197 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCN(C(=O)c2ccc(O)cc2)CC1 918221561 XORDYZOPVGMBBH-UHFFFAOYSA-N 456.518 2.160 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cn3cc(Cl)ccc3n1)C2)c1cc(O)nc(O)c1 1777848169 LVXUBSCEDSOXBV-UZUQRXQVSA-N 485.928 2.235 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc(F)nc1 1779639226 GKXCKERDILSCCS-ZEPKXSBXSA-N 471.485 2.178 10 20 JECD Cc1nn(C)cc1C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1786510830 CXJGAKBHEFOSMM-UHFFFAOYSA-N 457.581 2.337 10 20 JECD Cn1cccc1C(=O)C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792316104 PWHSNQIQZMCVGH-UHFFFAOYSA-N 470.576 2.202 10 20 JECD Cc1ccncc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1794102228 ILMXKGAYIPHESR-UPHUGPLXSA-N 459.930 2.291 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cccc(-n2cncn2)c1 1796932875 ALYZAKHNJJCNJY-FJPGZJACSA-N 483.532 2.312 10 20 JECD CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)cc1Cl 1799461003 DBXQOIAMUCBGJS-VPTLXERWSA-N 475.929 2.450 10 20 JECD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1800606621 ZUFGWXQKZOLWSF-VSVJTWGKSA-N 474.561 2.310 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc(F)nc1F 1802308448 MYOAOGDSAYPCEF-BFUOFWGJSA-N 455.421 2.194 10 20 JECD CN1CCC(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)CC1 1802569308 KLADCIVRKMAXCU-BWKNWUBXSA-N 488.592 2.222 10 20 JECD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1803263112 ULTKZGQAHIBEMD-PLHGULCKSA-N 479.449 2.422 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ncc(F)cc1F 1803879315 GDNRGAMCVITJRG-ZUOKHONESA-N 455.421 2.194 10 20 JECD Cc1[nH]nc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)c1F 1805119030 PLMTWSSHCKXEAX-UZUQRXQVSA-N 489.511 2.365 10 20 JECD COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1806587708 KTRLYDHJUMDNKX-FDDCHVKYSA-N 498.630 2.199 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807995299 PBHZRNLSXLCIFS-JIGPKXGUSA-N 462.510 2.103 10 20 JECD O=C1Cc2cc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)ccc2N1 1807995919 LAHLHMKFXJVGTH-WAIKUNEKSA-N 473.489 2.016 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)c2ccco2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808465743 YBKDBNPZRCQORV-NTUVXCKYSA-N 487.516 2.207 10 20 JECD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)no1 1808469334 LROQWXMBXDDNND-KBMIEXCESA-N 486.532 2.419 10 20 JECD CCc1noc(C)c1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1810942867 YRIWZENYVNNORU-MGPUTAFESA-N 487.607 2.120 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)on1 1814190315 WPSFQHUDPUKADQ-FOIQADDNSA-N 487.607 2.373 10 20 JECD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)n(C(F)F)n1 1816727014 BIJPSFUJLMCHQF-JTQLQIEISA-N 464.454 2.389 10 20 JECD CN1CCN(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CC1 1817154928 OEKDLUYUAHYRJE-GOSISDBHSA-N 490.992 2.418 10 20 JECD Cc1cc(C)n(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)n1 1817848255 ANVBILBQNWGZHI-KRWDZBQOSA-N 453.503 2.425 10 20 JECD Cn1ccc(=O)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818147339 YEMXPWMTCRFEES-FQEVSTJZSA-N 487.520 2.207 10 20 JECD Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)nn1C(F)F 1820291579 SSGWXTUAPUIVGC-CYBMUJFWSA-N 497.553 2.476 10 20 JECD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)N1CCN(C)CC1 1820789920 QNPLYQTYSVKXCL-KSSFIOAISA-N 490.992 2.416 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)Cn2nnc3ccccc32)CC1 1824850687 BHDHENHPVJBPJN-IBGZPJMESA-N 464.526 2.171 10 20 JECD Cc1oncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1826033152 BMLCXCIAFPQPTD-INIZCTEOSA-N 450.586 2.077 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cn2)CC1 1826144023 RCOWALZFRIQEAZ-KRWDZBQOSA-N 464.588 2.314 10 20 JECD O=C1CCc2ccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)nc2N1 1827426495 XVYWIQJCQQBILY-IBGZPJMESA-N 479.537 2.320 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)C(C)C)C3)C2)cc1 1839348774 LEHDIAOSWRJGNA-OZXSUGGESA-N 469.582 2.181 10 20 JECD C[C@H](C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1)n1cccn1 1843331572 KHLRPQRBIZSMRL-WIYYLYMNSA-N 496.612 2.366 10 20 JECD Cc1ccc(C(=O)NCC(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)cc1 1845502487 FLWMQKZQBDVZPF-UHFFFAOYSA-N 457.914 2.307 10 20 JECD COc1ccc(-c2nnc(SCC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2N)cc1 23473611 MRQGWTBHOPQKKD-UHFFFAOYSA-N 454.556 2.117 10 20 JECD COc1ccc(-n2c(C)cc(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)c2C)cc1 726543712 IRBJNCAUDQNLBO-UHFFFAOYSA-N 462.554 2.361 10 20 JECD CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NCc3ccc(N(C)C)c(F)c3)cc2)CC1 728131651 DNGCQUVTMJCIEH-UHFFFAOYSA-N 485.604 2.477 10 20 JECD CC1CCC(NC(=O)CN2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)CC1 728304661 XPZUPDRVGXZCBD-UHFFFAOYSA-N 457.619 2.045 10 20 JECD C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 728948599 KPZBJBVXNSYSMA-INIZCTEOSA-N 483.535 2.036 10 20 JECD COC(=O)CCc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 729784086 AMPWKQAUDZIYEL-UHFFFAOYSA-N 457.502 2.147 10 20 JECD CCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)CC1 741737383 ZCGGFZBLQIRVFX-UHFFFAOYSA-N 493.652 2.300 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)c1 748051824 SEAQFRCDEYTXBF-OYRHEFFESA-N 486.657 2.049 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc2F)C[C@@H](C)O1 917012128 DOLVQOHEIQIQTQ-HDICACEKSA-N 486.548 2.181 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)cc2)C1 918464899 DDGVYERSZDRIPO-XXBNENTESA-N 480.565 2.201 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)nc12 918971282 SMXUOXLUJMMCSE-UHFFFAOYSA-N 493.259 2.258 10 20 JECD CC(C)CN1C[C@H](C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1=O 919076272 CMXUGEJHMJBIEA-JENIJYKNSA-N 463.550 2.103 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 920636868 OLGRKUKQFRWADC-SFHVURJKSA-N 490.534 2.446 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2)c1cc(O)c(O)c(Cl)c1 1781122116 MQDARIACSMOTDT-IIBYNOLFSA-N 478.889 2.429 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 1783407547 MMGPVAXDBYWDQD-DWACAAAGSA-N 486.572 2.414 10 20 JECD CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)N(CC)CC 1784627525 LOYLHDGTISXZPP-QQDKQVRDSA-N 467.994 2.465 10 20 JECD CCS(=O)(=O)CC(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1786341576 OJJYOVPQGBVTAT-UHFFFAOYSA-N 482.562 2.348 10 20 JECD O=C(/C=C/c1cccc(O)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1790920757 BQQIYGOORPYXTG-GNKBYLHGSA-N 480.517 2.215 10 20 JECD CC(C)(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)ccn1 1794300443 WYTVLUXRSHJNRM-GMNSRVPRSA-N 481.549 2.413 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1796934657 DILCUYZMGNCXQN-AVIYLWBTSA-N 497.555 2.328 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)cc(F)c1)C2)c1cc(O)c(O)c(Cl)c1 1799770790 HDFCFWBULWTJAP-VTEUUUEMSA-N 466.868 2.475 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C3)cc1 1800512920 KUKFWSXLYDIRRH-VILGAWFOSA-N 498.649 2.076 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1803150716 JMHBHKBJDUFRQA-LDBYXDLTSA-N 499.568 2.368 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccn3ccnc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995208 FCMHWLMJRQAGJJ-IERDGZPVSA-N 458.478 2.169 10 20 JECD CN1CCCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808463558 DAYSRQSZUIJHAR-GRYUFTJMSA-N 488.592 2.365 10 20 JECD CCc1cc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n(C)n1 1808469232 KMHNGUPZSRUTFD-DFBJGRDBSA-N 499.575 2.490 10 20 JECD C[C@H](Cn1cncn1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1810478574 XYRSFORPVJKFEV-PTSWNOGYSA-N 484.944 2.394 10 20 JECD CC(C)c1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n[nH]1 1811504658 QZFZVNZYXNBYPU-QVKFZJNVSA-N 450.499 2.368 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccc(CO)o2)[C@H]1c1cccnc1 1814163852 OCTYPTRSERNNPZ-HGALLEHASA-N 479.489 2.317 10 20 JECD O=C(Cc1cnc2ccccn12)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1814840193 FVPXJUWNHODSTO-INIZCTEOSA-N 497.606 2.153 10 20 JECD O=C(/C=C/c1cccnc1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815963558 YDWLJNPBRXZQHQ-MOEXGYKKSA-N 470.580 2.371 10 20 JECD CCC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818147709 FHXPMLBYVJOJIE-RXVVDRJESA-N 493.568 2.500 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1819622394 IBGCFMVGZLRKMK-HIFRSBDPSA-N 487.611 2.158 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc(F)nc1 1819697035 WICWAEDLWJRXOB-ZDUSSCGKSA-N 462.532 2.110 10 20 JECD Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)o1 1822910375 AHUVHUKQWXOYMP-HNNXBMFYSA-N 461.569 2.406 10 20 JECD C[C@@H]1CCc2c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CN4C(=O)CSC4=S)n[nH]3)n[nH]c21 1823498757 VRAPNLVIWPHKOS-BXUZGUMPSA-N 487.611 2.349 10 20 JECD Cn1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)cn1 1825931805 KPRNMWRBOINKLQ-JOCHJYFZSA-N 462.554 2.446 10 20 JECD Cc1ncoc1C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828195019 HNMNSOBHBKTXSM-QDBLGGKGSA-N 456.480 2.496 10 20 JECD Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c(O)c1 1838032206 IGOOFLHYVHWYLV-UHFFFAOYSA-N 455.511 2.433 10 20 JECD Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1839348307 MGDZNBFTYSMQKD-HHHXNRCGSA-N 491.592 2.369 10 20 JECD Cc1ccccc1NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434057 KOVTVPIMTGTYJH-XMMPIXPASA-N 489.956 2.242 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)C1=COCC1)C2 1844251676 QIAMPKAOQDPYGF-GOSISDBHSA-N 487.553 2.041 10 20 JECD COc1ccc(OC)c(CCCC(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)c1 1845215634 TZWKELRCXARYLX-UHFFFAOYSA-N 491.635 2.090 10 20 JECD O=C(CCS(=O)(=O)c1ccccc1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501040 RYIUCKNQPJREEJ-UHFFFAOYSA-N 478.954 2.432 10 20 JECD COc1cc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)cc(C(F)(F)F)c1 1847054308 GPKRXOGTJZJNGA-UHFFFAOYSA-N 487.525 2.391 10 20 JECD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCCC13CN(C(=O)c1cc(O)nc(O)c1)C3)C2 1847093827 HRVJVFOWBPQFBY-ULQDDVLXSA-N 472.542 2.098 10 20 JECD Cc1ncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)[nH]1 1847912042 PMSCZAGBGIJBSB-WDSOQIARSA-N 499.568 2.081 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 104985453 GYFQHTKSMHNADF-HXUWFJFHSA-N 479.533 2.343 10 20 JECD O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1cccc(S(=O)(=O)NC2CC2)c1 725823989 JJJAQIBREQZLCQ-UHFFFAOYSA-N 467.638 2.159 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(OC)c(-n4nnnc4C)c3)CC2)cc1 726701254 FPGZUMUZHVDJQS-UHFFFAOYSA-N 480.573 2.322 10 20 JECD CCOc1cccc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)c1OC(F)F 727176557 MMGBTJGWCMNCRJ-FMIVXFBMSA-N 452.526 2.437 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)C[C@H](NC(C)=O)c3c(F)cccc3F)nc12 727573957 MHBYOJBCNKZDTP-INIZCTEOSA-N 462.409 2.201 10 20 JECD CCCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 728023511 ZYRRXGGWHVYSFU-UHFFFAOYSA-N 451.570 2.325 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(CCN4CCCC4)cc3)CC2)cc1 743433119 WWJPXHNBHBICNT-UHFFFAOYSA-N 479.625 2.210 10 20 JECD CCc1ccc(C(=O)N2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 917008883 CWPQWFXMMFBRRI-UHFFFAOYSA-N 468.573 2.299 10 20 JECD CC(C)N(CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)Cc1ccc(N(C)C)cc1 917074950 MLCHEWMWVDKNCH-VWLOTQADSA-N 480.609 2.474 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)c4ccsc4)CC3)cc2)C1 918122445 KWARMWVPYSPICA-SFHVURJKSA-N 455.584 2.117 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cccc(NS(C)(=O)=O)c3)cc2F)C[C@@H](C)O1 918832269 OJESYMUWBMXZTH-IYBDPMFKSA-N 493.557 2.284 10 20 JECD CCc1ccc(N2C[C@@H](C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2=O)cc1 918877724 BSSPFARDTPVHLM-FQEVSTJZSA-N 483.540 2.437 10 20 JECD C[C@@H](Sc1nnnn1C1CC1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919701348 XXJPQWGMYOOSTH-OAHLLOKOSA-N 483.577 2.061 10 20 JECD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)C2)cc1 919754431 RQEPGOVMMFHAQD-FGZHOGPDSA-N 498.649 2.414 10 20 JECD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 920494633 OIUZEXLVRASYCS-FQEVSTJZSA-N 475.567 2.227 10 20 JECD C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(N2CCOCC2)cc1 920879433 MJNSQYFDLUDOCK-KRWDZBQOSA-N 477.558 2.174 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cnn2c1OCCC2 1781266201 DIDXDSKMHMTEER-WZONZLPQSA-N 490.944 2.172 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)cc1 1781751567 UEMACXUAMOFJFW-VWLOTQADSA-N 461.522 2.347 10 20 JECD CCOc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)cc1OC 1782076035 UNCLBXBHDNXHHE-QFQXNSOFSA-N 499.564 2.270 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)C2)C1 1783814628 YVQNNIWCSBWYNI-HLMUQQDYSA-N 464.518 2.450 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1c(F)ccnc1Cl 1785482538 XTDBYWYROLSIBF-FKYOHGGQSA-N 491.903 2.298 10 20 JECD COc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)c1OC 1789412457 RUMLNPZZYSHSIX-YEWDVWPNSA-N 491.928 2.071 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C[C@@H]21 1792218424 BRFKROKUIQUZDL-COXPJZAUSA-N 470.497 2.178 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(=O)n2C)cc1 1794587018 NKQSNEKUNHSNJN-GQEURGSBSA-N 474.561 2.310 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)cncc1F)C1=NN(c2ccccc2)C(=O)C1 1798930564 INUGYJLSSYTEAK-RBVVOMGSSA-N 453.449 2.405 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ncc(F)cc1F 1803879310 GDNRGAMCVITJRG-XCLFUZPHSA-N 455.421 2.194 10 20 JECD O=C1C[C@@H](C(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)CN1Cc1cccs1 1806891135 YIMOUYSLWYTBSS-GOSISDBHSA-N 498.605 2.448 10 20 JECD O=C(CCN1CCOCC1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1806954193 KSWUBUVTDVDCDK-HTAPYJJXSA-N 488.972 2.188 10 20 JECD Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)nc1C 1807796572 RNMILGYQTORQTK-UHFFFAOYSA-N 460.625 2.404 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2n[nH]c3c2CCCC3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994058 NNWGJDXTFAFASG-IVZQSRNASA-N 462.510 2.123 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CC2)C1 1810546588 JXUPLIXDNUTWAF-UHFFFAOYSA-N 484.465 2.288 10 20 JECD O=C(CC1(O)CCC1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813639423 MMLPFMHSXBOJIX-DPLQINJDSA-N 467.522 2.223 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1814028584 DTLRXDNBXCLFMD-HRAATJIYSA-N 485.541 2.122 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)C2Cc3ccccc3C2)[C@H]1c1cccnc1 1814190909 DQQAJDFEEHSUDK-CVDCTZTESA-N 494.642 2.363 10 20 JECD O=C(CC(F)(F)C(=O)O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1818024761 FOPLDVDIIUUACS-INIZCTEOSA-N 488.451 2.305 10 20 JECD Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)ccn1 1823500230 XDSSCDMZSRWGTL-HNNXBMFYSA-N 458.569 2.279 10 20 JECD COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)n1 1827427038 CDXDADOOEFGAIX-MRXNPFEDSA-N 485.497 2.352 10 20 JECD Cn1ncc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1Cl 1829499081 PMZBZDMCGGRASD-HNNXBMFYSA-N 484.047 2.167 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1832483280 KJRKGALNAIYSIX-ADGBJGEGSA-N 464.566 2.291 10 20 JECD Cc1ncoc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898211 GKDZWUHIKPJIKZ-HNNXBMFYSA-N 450.586 2.077 10 20 JECD Cc1onc(C(=O)NC2CCN(C3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)c1C 1833605189 KPLCPRATMZZBLP-UHFFFAOYSA-N 492.580 2.270 10 20 JECD Cc1ncccc1C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1834147308 LTDWCFHFPMFGEG-FNORWQNLSA-N 480.565 2.405 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348412 AEFWVFMDUGVNDK-IGKIAQTJSA-N 496.608 2.079 10 20 JECD Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cn1 1839432694 XBLFIKZFTFVFHP-XMMPIXPASA-N 489.956 2.157 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)Cc2ccc3c(c2)CCO3)C1 1846098166 ISOQRFMGHVVOCR-UHFFFAOYSA-N 458.518 2.160 10 20 JECD CC(C)(C)OC(=O)N(CC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)C1CC1 1847034972 QFCHEVPMVCYECH-UXBLZVDNSA-N 487.553 2.420 10 20 JECD COc1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c(O)c1OC 1847038527 UZLWJWHMOSKVIB-WEVVVXLNSA-N 470.478 2.057 10 20 JECD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCc3ccc(N(C)C)cc3)CC2)c1 18215495 WPXZIRNUHKMPJF-UHFFFAOYSA-N 486.638 2.299 10 20 JECD CN(C)c1ccc(CNC(=O)CSc2nnc(N3CCOCC3)n2CC(F)(F)F)cc1 116266815 ASOFVARLMXGNQE-UHFFFAOYSA-N 458.510 2.152 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCc3cccc(CN4CCCC4=O)c3)CC2)cc1 742940833 ZLIWNCQLVRSNQP-UHFFFAOYSA-N 465.598 2.439 10 20 JECD COCCN1C(=O)/C(=C\NNc2ncnc3sc(-c4ccccc4)cc23)C(=O)NC1=S 814318378 MQWCQQUGYUDZFR-UVTDQMKNSA-N 454.537 2.048 10 20 JECD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COc2nsnc2N2CCOCC2)cc1 914685727 OVKHIGXMNZUSAS-LJQANCHMSA-N 461.588 2.027 10 20 JECD Cc1cc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c(C)n1-c1ccc(F)cc1 914761844 FOJGNFYLOXBWGO-QZTJIDSGSA-N 478.590 2.345 10 20 JECD Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)ccc1-n1cnnn1 914914568 IVLOQUXUJZPVPZ-UHFFFAOYSA-N 494.533 2.065 10 20 JECD COC(=O)[C@H](C)NC(=O)c1ccc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c([N+](=O)[O-])c1 917391533 YYMAWHRZIMJSJK-MAUKXSAKSA-N 483.525 2.200 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3cccc(C(=O)NCC(F)(F)F)c3)cc2)C1 917930842 WRBNNGYGVXWLQW-QGZVFWFLSA-N 498.527 2.159 10 20 JECD CCn1c(=O)nc(O)c2c(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc(C3CC3)nc21 918632997 HKFNYIBLTAYQDL-UHFFFAOYSA-N 467.501 2.300 10 20 JECD CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918643737 NYYGPLIOPJZNRB-JOCHJYFZSA-N 489.663 2.398 10 20 JECD COCCOc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC 920926889 RDZUBOGMUSCZTO-KRWDZBQOSA-N 457.527 2.373 10 20 JECD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782001796 CTKBDAPSQOPICW-QFIPXVFZSA-N 475.885 2.346 10 20 JECD CCc1nn(C)c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1Cl 1782005140 VBOKRNFLXHIOCW-OAQYLSRUSA-N 483.352 2.458 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785509996 KPNQQNOVUONQBE-JNHKJOQOSA-N 468.506 2.114 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cc(Cl)ccn3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245001 LFLYUVYHZSMNSA-QITLCBANSA-N 496.347 2.472 10 20 JECD Cc1nccn1[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790245481 DWXLLFAQHWVRQD-HAHWVIBASA-N 462.934 2.111 10 20 JECD CC(C)(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2)NC(=O)OC(C)(C)C 1793152331 JLJFPQHKTAHRJC-QDMKHBRRSA-N 498.671 2.178 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1C[C@@H]3CC[C@H]1C3)C2)C1=NN(c2ccccc2)C(=O)C1 1796481183 SCYUVPOJYJDYNL-TXIUKFDOSA-N 464.566 2.195 10 20 JECD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cc1F 1799766926 IJGSJOXEUJFADE-HBCWATKFSA-N 464.877 2.416 10 20 JECD Cc1ccc(F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802077456 HASXOCFKUWZVME-CPVVTZALSA-N 456.470 2.168 10 20 JECD CN1CCC[C@H](C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)C1 1807546826 ZDRMETHCBQMRQO-CZSZKKDXSA-N 488.592 2.222 10 20 JECD COC(=O)CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807997877 GEUKEIQZKNJRNK-HXOBKFHXSA-N 470.526 2.331 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1809669249 XAYCNXMMSIHPPO-PYQAKABTSA-N 460.625 2.384 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2ccnn2c1 1812204126 SAQFVLNTYZXRPH-OPAMFIHVSA-N 458.478 2.169 10 20 JECD CC[C@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1814473981 SFQUFVALLUHPLU-FXAWDEMLSA-N 479.541 2.109 10 20 JECD Cc1ccn2ncc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cc(O)nc(O)c3)CC4)c2c1 1816934425 MOSWUBIKZPVXNR-CYBMUJFWSA-N 464.507 2.445 10 20 JECD O=C(Cc1ccc2c(c1)OCO2)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1816997188 VIMQTFWGFSKGNC-MRXNPFEDSA-N 465.466 2.493 10 20 JECD N[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cccnc1 1817411786 NVOACSOUPWURSY-NVXWUHKLSA-N 451.487 2.007 10 20 JECD CNCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1826888116 JHYOMPWBFAOWSU-QFIPXVFZSA-N 453.587 2.399 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccnc2)CC1 1827207316 JEMMPZSZHYYMDW-SFHVURJKSA-N 460.625 2.104 10 20 JECD O=C(NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)c1cccs1 1827427320 WGWVASQFLWZAMW-QGZVFWFLSA-N 472.567 2.218 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H](O)C2)CC1 1828366201 HEJFBFAJWHTDEV-DWLFOUALSA-N 452.555 2.170 10 20 JECD O=C(CC[C@@H]1CCOC1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900295 PUXOLJSQPAGGCT-AEFFLSMTSA-N 467.657 2.283 10 20 JECD O=C(CCc1cccnc1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837972993 JUBJBZIWUQWMRS-UHFFFAOYSA-N 454.527 2.133 10 20 JECD CO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839349261 MCODMLCCDKROMS-CPJSRVTESA-N 455.555 2.199 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCO2)CCO3)cc1 1840014951 NLMRVUPIYZCAJQ-JYFHCDHNSA-N 467.566 2.343 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C3CC3)C2)C1 1840881818 PGVPFTHPRUAPMH-XATMQCHFSA-N 494.544 2.464 10 20 JECD CCOc1c(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cnc2c1cnn2C 1843215063 DNLUZMVSFAENEH-SOFGYWHQSA-N 493.520 2.014 10 20 JECD COC(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251648 OLAUVUKQSKZGTA-KRWDZBQOSA-N 491.585 2.162 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccc(-c3ccccc3)nc2)C1 1844602466 ZOLOVAKRBMJUJR-UHFFFAOYSA-N 466.588 2.426 10 20 JECD CCCN1CCN(c2ccc(C(=O)N3CCCC34CN(C(=O)c3cc(O)nc(O)c3)C4)cc2)CC1 1845565328 WEVAWELDDMFBQR-UHFFFAOYSA-N 479.581 2.156 10 20 JECD NS(=O)(=O)c1ccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1 726705839 VADDTRPTYJOPSX-UHFFFAOYSA-N 460.528 2.465 10 20 JECD NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)NCc3ccc(N4CCOCC4)cc3)c2)C1 731048500 WQTWXHQHLJZVOF-QHCPKHFHSA-N 465.598 2.220 10 20 JECD C[C@H](OC(=O)c1ccc(S(N)(=O)=O)s1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 745257738 AGQSIBGOGQSOMK-NSHDSACASA-N 484.511 2.355 10 20 JECD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 748472544 YJXWJIRFLASHCD-UHFFFAOYSA-N 450.539 2.323 10 20 JECD COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918139418 COBVVQYCXSXNQL-ZIAGYGMSSA-N 451.520 2.025 10 20 JECD O=C(CCNC(=O)c1ccsc1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919697459 AOWWBQSAEHWIMA-UHFFFAOYSA-N 468.558 2.440 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2F)C[C@H](C)O1 920437384 RFORLZWNCMUYOC-HOTGVXAUSA-N 494.545 2.332 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccn4ccnc4c3)C2)C1 1778568262 UKIMLUCMHCPNDF-QFIPXVFZSA-N 456.886 2.156 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)n(C)n1 1781121186 ITDUMWKMGRPONP-XMSQKQJNSA-N 462.934 2.234 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cncc3cnccc13)CCO2 1782007084 IXQUQISZCDIOKJ-QHCPKHFHSA-N 468.897 2.452 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1782552619 GHZJZPVHPZLOCQ-QFIPXVFZSA-N 474.876 2.295 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ncc(F)cc1F 1784768321 QUFFAEUBKOQYPK-SVKFGRERSA-N 467.856 2.332 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C[C@@H]21)c1cc(O)nc(O)c1 1787291276 UMSNCXRVNBRJGH-LRQRDZAKSA-N 464.522 2.200 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539808 XOZPVHIGIVXRIY-QOKNQOGYSA-N 470.913 2.319 10 20 JECD Cc1nc(N)sc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790243559 XPQHGZDJBXLKHE-WBIUFABUSA-N 466.947 2.005 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3ccc4c(n3)OCCO4)CCC2)cc1 1792313976 QBLXTOKNAVIWAN-UHFFFAOYSA-N 498.586 2.461 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1793868571 URPQNKBYEIHLNA-WQZMEWCLSA-N 495.580 2.427 10 20 JECD Cc1ccc(C)c(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796480812 VJQMOZGVHCEBCW-ZJZZYZHZSA-N 490.560 2.065 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCc1cccnc1)C2)c1cc(O)c(O)c(Cl)c1 1799770401 UWPIWLJJILXKIK-UPHUGPLXSA-N 459.930 2.372 10 20 JECD CC(C)(C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1803070490 IDNOSZHQUQSTPX-OFAXGOBFSA-N 477.565 2.287 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992211 MBUGZQGZYUDIIG-DJJJIMSYSA-N 453.411 2.022 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc[nH]c3nccc2-3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993008 FYDKOLUTYDLUFT-QVKFZJNVSA-N 458.478 2.349 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cn3cc(F)ccc3n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996410 RPENGPJYAIDESO-NYHFZMIOSA-N 476.468 2.308 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC2(CCCN(C(=O)c3cccc(O)n3)C2)CC1 1808370402 VSGVLYAJCOIFJO-UHFFFAOYSA-N 461.522 2.425 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc2cnccc2[nH]1 1809998405 YXILJQJBCJPXRZ-IVZQSRNASA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccc1F 1811680796 BUDFMZWOSSLVDX-QRWLVFNGSA-N 472.567 2.401 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccncn2)[C@@H]1c1cccnc1 1814163459 CUIMNSITHMFBGA-NWWLCNQNSA-N 461.478 2.021 10 20 JECD Cc1ncccc1CCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814185382 QJAZNVVFWJPXJC-WMZHIEFXSA-N 497.646 2.284 10 20 JECD Cc1cccc(CC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1814186766 WUQHQSGAZGDLOZ-XXBNENTESA-N 482.631 2.499 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1csnn1 1815368209 QQPLGCMSSNKMDL-DYLGSBMWSA-N 456.484 2.397 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3snnc3C3CC3)sc2C1)c1cc(O)nc(O)c1 1817833999 KQDQNMGEISGCGA-SNVBAGLBSA-N 458.525 2.218 10 20 JECD O=C(NCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)c1ccccc1 1817848472 LRPDEUJLZTUCSB-SFHVURJKSA-N 478.509 2.342 10 20 JECD CCN(CC)C[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1821683077 RXVSPAJEXZSHBC-HOCLYGCPSA-N 480.660 2.240 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)[C@@H]1CCCS1(=O)=O 1821837879 DHFCREOJEGJOET-ZBFHGGJFSA-N 482.946 2.357 10 20 JECD C[C@H](Oc1cccnc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822816184 WVYFSYPVXMCLOX-SUMWQHHRSA-N 452.471 2.384 10 20 JECD Cn1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)n1 1827141346 AGSSDAWVQACQJX-CPSHHHPTSA-N 468.554 2.413 10 20 JECD O=C([C@H]1CC(c2ccccc2)=NN1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429898 VRSVITAJMCLEJD-YADHBBJMSA-N 477.565 2.492 10 20 JECD O=C([C@H](O)c1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898653 USHVDFCWCWOPCU-GHTZIAJQSA-N 475.636 2.200 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccn4)CCO3)C2)cc1 1836172088 FUPQTZNTJQVCLB-SANMLTNESA-N 477.565 2.061 10 20 JECD COc1ccc(F)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840689049 AAJKQWDJSYNFDU-HSZRJFAPSA-N 494.903 2.283 10 20 JECD Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1C 1840879916 MOXGWDCYFRXRDC-PMHUYKBPSA-N 496.560 2.133 10 20 JECD CCc1nn(C)c(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1Cl 1842254117 GACJSFVDRHWJAC-SOFGYWHQSA-N 460.918 2.283 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc4nc(OC)ccc4c3)CC2)cc1 727615917 PPMHZXQHEJONLS-UHFFFAOYSA-N 463.538 2.129 10 20 JECD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 729285494 FAQPRXPOEFDXFC-FIKGOQFSSA-N 467.549 2.344 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCc3cccc(CN4CCOCC4)c3)CC2)cc1 742939994 OJLXHLIKKROYNR-UHFFFAOYSA-N 467.614 2.149 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(Sc4nccn4C)cc3)CC2)cc1 743432205 JBHLRGYPZUOJDS-UHFFFAOYSA-N 494.621 2.457 10 20 JECD CC(C)N(CC(N)=O)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 914405987 GFMOIXLFYQUQJQ-QPEQYQDCSA-N 456.387 2.373 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(OCC(=O)N(C)C)cc3)CC2)cc1 915343929 ORTHGCWCNCICRJ-UHFFFAOYSA-N 469.586 2.496 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@H](C(=O)NCC4CC4)C3)CC2)cc1 916196603 NURGSRJTPNPHRG-NRFANRHFSA-N 457.619 2.155 10 20 JECD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918298072 XJHPPWQDEXTZPE-GOSISDBHSA-N 455.511 2.249 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)CC(C)(C)C)cc2F)C[C@@H](C)O1 919730879 COPDVWLTXDPRKV-HZPDHXFCSA-N 451.539 2.151 10 20 JECD C[C@@H](O)[C@@H](NC(=O)c1cc(Cl)ccc1F)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 920262943 IKPYJQOHOGDISY-SPLOXXLWSA-N 479.936 2.226 10 20 JECD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 920880307 CLPTXUQBKKZBIZ-AVRWGWEMSA-N 450.539 2.476 10 20 JECD COc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1C 1777852175 WQCXWPUEQDXAIW-NTKDMRAZSA-N 455.511 2.251 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)nc(O)n2)CCO3)cc1 1781754014 PYIIKHBFOVWWNX-VWLOTQADSA-N 477.521 2.053 10 20 JECD O=C(CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)Nc1ccc(F)cc1 1782007311 CBTUXQVDAKDCLP-HSZRJFAPSA-N 491.903 2.363 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cc(F)cnc1Cl)CCO2 1785506694 FFZBDFXYEIECIH-YSNSILARSA-N 477.876 2.148 10 20 JECD Cc1ccc2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)ccc2c1 1787865536 SHJOYTGZRJDCOZ-MDKPJZGXSA-N 462.506 2.257 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc2cc[nH]c2cc1F 1798568951 CMBWLHGWAKPJDI-XHNJZIHCSA-N 489.507 2.303 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1C[C@@H]3CC[C@H]1C3)C2 1802079322 AULAHWOSWSNGTD-WFGJHKILSA-N 456.539 2.233 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cnc(-c2ccccn2)nc1 1804796269 JHJDDFGECWPOQQ-UZUQRXQVSA-N 497.515 2.373 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)COC3CCCCC3)C2)CC1 1805274271 GNZRNRHMSROWEG-UHFFFAOYSA-N 467.657 2.427 10 20 JECD Cc1ncccc1CCC(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1806819972 MPKOSYGRJYFSDO-UHFFFAOYSA-N 474.652 2.414 10 20 JECD Cc1cc(C)n(CC(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n1 1808465465 VELFPAVLZGILRC-RLWLMLJZSA-N 499.575 2.394 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCN(C(=O)Cn3cnnn3)[C@H]2c2cccnc2)cc1 1811264396 MPZMSJGJAIIDHM-DHLKQENFSA-N 484.564 2.495 10 20 JECD COc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1811925883 JIAXDQLFKYDMSS-DYESRHJHSA-N 484.603 2.270 10 20 JECD CC(=O)C[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813008849 FGKQDSUCQHHPQZ-GERBCZOESA-N 475.549 2.496 10 20 JECD Cc1cncc(CCC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1814186290 ZSBJMIMIWHPYHW-AUSIDOKSSA-N 497.646 2.284 10 20 JECD Cc1cc(C)nc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1814189486 QPYQIQSWJSRRDR-UTKZUKDTSA-N 483.619 2.273 10 20 JECD COc1cnc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c(F)c1 1816215218 YWTSPAYWIMMPON-CQSZACIVSA-N 492.558 2.119 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC2)c1cc(O)c(O)c(Cl)c1 1823711259 YAWMKLYPJDWTOH-MRVPVSSYSA-N 478.874 2.379 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)CCN2CCOCC2)CC1 1826751778 SCOWRVHFOOHWJU-XYASWCNUSA-N 487.597 2.159 10 20 JECD CCNC(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716940 ZYXSCLQTWKNHCW-PGRDOPGGSA-N 496.612 2.107 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ncnn3c2)CC1 1828733954 OPVHUZGJATULHC-GOSISDBHSA-N 450.499 2.083 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832218136 FPHQSJUQLNVDOC-FUHWJXTLSA-N 490.651 2.329 10 20 JECD O=C(COc1cccnn1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832882414 HLMUGIWOBLUYFG-XSBJJCPUSA-N 482.537 2.305 10 20 JECD Cc1ncc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)cn1 1834065006 XIIPYLGEZDPTID-UHFFFAOYSA-N 473.961 2.349 10 20 JECD Cc1cc[nH]c1C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835134360 HVURWMWHOBGKBJ-UHFFFAOYSA-N 476.581 2.301 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC(C)(C)O)CCO3)C2)cc1 1835272296 WPYKBYIABMDGFG-SANMLTNESA-N 469.582 2.325 10 20 JECD CO[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)c1ccccc1 1835283644 DNUUSTOTFYCXSS-URXFXBBRSA-N 490.940 2.209 10 20 JECD O=C(CN1CCCCC1=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838687975 VUQATRAHOLAKJH-UHFFFAOYSA-N 493.988 2.376 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccccc3o1)CCO2 1839502739 NHFHDGWXYGVWKF-HSZRJFAPSA-N 487.896 2.276 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1cccc(O)n1)C2 1843330522 CLKAEABWZRRCHP-HXUWFJFHSA-N 495.580 2.322 10 20 JECD O=C(c1nnc(-c2ccccc2)o1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441856 RZBWOVBBDYPALG-UHFFFAOYSA-N 470.489 2.347 10 20 JECD CS(=O)(=O)NCCN1C(=O)/C(=C/c2csc(COc3ccccc3)n2)SC1=S 727175869 BQISHACYSXYTCO-ZROIWOOFSA-N 455.608 2.473 10 20 JECD Cc1occc1C(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 825285886 BVVHQTDWTDTORX-MFOYZWKCSA-N 474.516 2.491 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccccc1CN1C(=O)CNC1=O 916688823 JHHWKKOAQYYTQQ-UHFFFAOYSA-N 455.490 2.160 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 918309197 HGSIIRRMIVCWHH-XMMPIXPASA-N 494.592 2.144 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCCN1C(=O)c1cccs1 918643767 OSMGFCHFIDZVKW-LJQANCHMSA-N 461.609 2.294 10 20 JECD O=C(O)c1ccc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919730386 XECSHTRLEDCEEA-UHFFFAOYSA-N 471.514 2.119 10 20 JECD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 919877798 BTKXGAXZLYGBAL-UHFFFAOYSA-N 481.571 2.097 10 20 JECD COc1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)ccc1OCC(=O)N1CCOCC1 920182267 LQFHRFQRZWEGLG-UHFFFAOYSA-N 483.609 2.431 10 20 JECD C[C@@H]1C[C@@]1(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127712 VDYLQLMSANDBHZ-POBVKMQOSA-N 452.555 2.339 10 20 JECD Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)no1 1781123169 YVLFDLYWUOZWKU-XMSQKQJNSA-N 463.918 2.418 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4cccn4)cc3)C2)C1 1781716330 CSWPGDXYYWFMLR-HHHXNRCGSA-N 498.543 2.109 10 20 JECD CC(C)(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc1 1781729677 VERXLLAMARYHQR-XMMPIXPASA-N 455.511 2.427 10 20 JECD Cc1cc(O)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc1Br 1781958236 XDQXGZPKEACBNB-NRFANRHFSA-N 492.326 2.027 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccn3nccc13)C2 1783221859 OHNXKAPJVGXVCN-YRHVXKOMSA-N 492.532 2.292 10 20 JECD COc1nc(C)ccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783221906 SEYCEQIBYMJTEZ-DWRUAZSGSA-N 497.548 2.356 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)Cc3cccc(F)c3F)C2)C1 1783388038 CDZYFKMZEBWKHN-SXBBHYFQSA-N 474.460 2.167 10 20 JECD CCCNC(=O)CCC(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1786303110 UEJYTOANLKHBFW-UHFFFAOYSA-N 476.624 2.287 10 20 JECD CC(C)(C)n1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)nn1 1789356533 QRSIYZSAMSURCW-YEWDVWPNSA-N 477.949 2.005 10 20 JECD CC(C)n1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790245136 TVGBQCJZTBGVNC-RFUYNDQBSA-N 462.934 2.436 10 20 JECD Cn1ncc2c(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)cccc21 1807996565 VJZMEMNNVZLUBT-MWTRTKDXSA-N 472.505 2.408 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)COc2cccnc2)[C@H]1c1cccnc1 1814161526 HOOCGJWXSLTKBD-OLCGYDSQSA-N 490.516 2.392 10 20 JECD Cc1ccoc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814189679 WAHJGJSEVSOANX-QAPCUYQASA-N 458.565 2.163 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)C2Cc3ccccc3C2)[C@@H]1c1cccnc1 1814190910 DQQAJDFEEHSUDK-WMZHIEFXSA-N 494.642 2.363 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc(Cl)cnc1O 1814347529 CPCLSAVRZIRNFN-CYBMUJFWSA-N 494.986 2.330 10 20 JECD O=C1CC[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CN1 1814524314 FZGRWWNJANXTDR-ABAIWWIYSA-N 461.906 2.306 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)CN3CCCCC3)sc2C1 1814538734 NARBMUSYTDKAHH-FUVBFXSKSA-N 472.567 2.371 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(N3CCOCC3)cn2)[nH]n1)c1cc(O)nc(O)c1 1817844305 XHAXOOMWPJVQNN-IBGZPJMESA-N 493.524 2.067 10 20 JECD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1)n1ccnn1 1818147925 PSFWGRXMNQIQLD-DNVCBOLYSA-N 475.513 2.047 10 20 JECD COc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)nn1C 1823712348 HQCVNDKEAODEKP-JTQLQIEISA-N 477.930 2.489 10 20 JECD Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)nn1C 1828195027 HYQJYZWTFOFJJM-YOIVXCQUSA-N 483.550 2.170 10 20 JECD Cn1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)cn1 1832882617 KPFNJVVNXMXICE-IEJURRBGSA-N 468.554 2.413 10 20 JECD Cc1c(F)cccc1C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1833171715 NVZLQDWUOLMKAN-UHFFFAOYSA-N 492.642 2.180 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)cc1 1835652683 RSKXMBZAJPTTBM-RUZDIDTESA-N 499.637 2.181 10 20 JECD O=C(Cc1cccs1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1836091344 QIZQDCLDKBARJF-OAQYLSRUSA-N 466.943 2.125 10 20 JECD Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)nc1 1839432642 UISRYJBSMARBSD-XMMPIXPASA-N 489.956 2.157 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)C3(c4ccccc4)CC3)C2)C1 1840880010 SKZNQORWTYCREL-QGVYAHRCSA-N 494.544 2.005 10 20 JECD CC(C)(C)OC(=O)N(CC(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)C1CC1 1841141230 ANNADFOENCRUCN-UXBLZVDNSA-N 487.553 2.420 10 20 JECD O=C(c1cc2cc(F)c(F)cc2[nH]1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056649 TUBKWTLXIVVKSY-UHFFFAOYSA-N 464.519 2.123 10 20 JECD Cn1cc(CCCNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cn1 726799902 YGMKLKBEHVGTPD-UHFFFAOYSA-N 452.538 2.108 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CCc3nc(-c4ncccn4)no3)cc2F)C[C@@H](C)O1 727902175 FBNYVXQDFLZHJI-HZPDHXFCSA-N 498.515 2.072 10 20 JECD COCCN1C(=O)/C(=C\NNc2ncnc3scc(-c4ccc(C)cc4)c23)C(=O)NC1=S 814318143 BUDDMWLFMDFWIR-ZROIWOOFSA-N 468.564 2.357 10 20 JECD CCCCc1noc([C@@H](C)S(=O)(=O)CC(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 915363055 CTQSKJXJEFXDSO-MRXNPFEDSA-N 450.561 2.245 10 20 JECD O=S(=O)(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 917918680 YAPCEAIVISUGCI-UHFFFAOYSA-N 497.614 2.315 10 20 JECD CC(C)[C@@H](NC(=O)c1cccs1)C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 919030827 JQMOPXUQLFLLJM-OAQYLSRUSA-N 477.558 2.338 10 20 JECD CCCS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 920745775 PEAAAEQDYAODQM-UHFFFAOYSA-N 451.570 2.325 10 20 JECD CCOc1ccc(NC=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc1S(=O)(=O)N(CC)CC 920980183 AXKOJWNMKHZFCH-UHFFFAOYSA-N 482.628 2.407 10 20 JECD CCc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)no1 1779821957 UHWXDHWXKIACGJ-YGBPNOIISA-N 471.510 2.195 10 20 JECD CC(C)[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1)c1ccc(F)cc1 1785547164 QREQZMBVLZRLOP-REWPJTCUSA-N 493.626 2.256 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)[C@@]3(F)CCCC=C3F)C2)C1 1785695853 NVJAHIQMUUXNBN-BJKOFHAPSA-N 472.492 2.355 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccccc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539181 XTRAZCLYSHZQMS-SFJLQMFISA-N 472.545 2.472 10 20 JECD CCc1nn(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c1Cl 1799767523 VUZIBWPTQZICIN-DPIQGUFMSA-N 483.352 2.218 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccccc2F)CC1 1804235067 CYHRKHARIMSYMO-QDMKHBRRSA-N 461.584 2.356 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)CCc3ccccn3)C2)CC1 1807255446 IQDJLRVAJCUBSP-UHFFFAOYSA-N 460.625 2.106 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCN2CCCCC2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807990852 KLVVPSDILDPDQE-FDDCHVKYSA-N 453.543 2.083 10 20 JECD COc1cccnc1CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807993947 RHICFJLXAYIVEX-XDHUDOTRSA-N 477.521 2.244 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2(Br)CC2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999188 ILOMKGRMSJNMQD-CXAGYDPISA-N 461.316 2.135 10 20 JECD Cc1cccc(CCC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)n1 1814184767 FRZWQYVXNAINMR-MBSDFSHPSA-N 497.646 2.284 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc3c(c2)COC3)[C@@H]1c1cccnc1 1814189593 SUODSYILJZFJSF-HTAPYJJXSA-N 496.614 2.292 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCc3ccccc3[C@H]1O)CC2)c1cc(O)nc(O)c1 1816719961 BYWOTXPLRRYTCJ-IUSZMWJPSA-N 480.546 2.471 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(-n3cnnc3)cc1)CC2)c1cc(O)nc(O)c1 1816722147 DHOHZRKEETVZDD-AWEZNQCLSA-N 477.506 2.070 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)C1CCC2(CC1)OCCO2 1821821723 RQCNHAXTTIPAIK-QGZVFWFLSA-N 471.514 2.455 10 20 JECD Cc1nn2cc(CC(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)nc2s1 1827423677 CAPNLURJNBQZDM-GOSISDBHSA-N 484.582 2.381 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(n2)OCCO3)CC1 1827532491 MJDGMXZSSQKYHE-GOSISDBHSA-N 468.510 2.206 10 20 JECD CN(C)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1 1828246543 AUJHSYYOWWKVNJ-CYBMUJFWSA-N 489.648 2.295 10 20 JECD CCNC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1828877570 DGXFBOSBCRVFOS-GRWKNNQQSA-N 488.585 2.144 10 20 JECD CC(=O)N[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)C(C)(C)C 1832896488 JRIANZJKRIFQND-PXNSSMCTSA-N 496.699 2.017 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)CC1)c1cc(O)nc(O)c1 1834988154 HBYWNLTZDFKABV-FGZHOGPDSA-N 464.566 2.482 10 20 JECD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1836762422 PFOTWXIEMYGTJM-HNQUOIGGSA-N 486.481 2.320 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)cnc1C 1837249198 XPPMVZWJAKJZHL-UHFFFAOYSA-N 490.651 2.171 10 20 JECD O=C(CCc1ccc2c(c1)OCO2)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837752226 YTDRVRSHFLCEOY-UHFFFAOYSA-N 497.548 2.467 10 20 JECD O=C([C@H]1CCc2ccccc2O1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442417 MXMAENGBKIYMMA-JOCHJYFZSA-N 458.518 2.377 10 20 JECD CS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(O)c(O)c(Cl)c2)c1 1847387473 QDPMTDXGDZHULV-IRXDYDNUSA-N 464.927 2.284 10 20 JECD O=C1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2=NN(c3ccccc3)C(=O)C2)CN1Cc1ccccc1 1847711784 CUNBABUOFFXLEJ-QDSKXPNFSA-N 499.571 2.030 10 20 JECD CNS(=O)(=O)c1cccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726600123 BZZAPBGCZIDKTO-UHFFFAOYSA-N 475.539 2.143 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)nc12 726675989 YFIBURJCVCABOE-GOSISDBHSA-N 497.464 2.176 10 20 JECD CO[C@@H](C)CC(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 750155596 MSXKFGRBVMBMDF-KRWDZBQOSA-N 478.567 2.266 10 20 JECD COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)c1 784100105 WAIINPUJZZMWGI-UHFFFAOYSA-N 493.519 2.413 10 20 JECD COc1ccc(-c2nnn(CC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)n2)cc1OC 917714774 OSYNEDMKZNTNGM-IYBDPMFKSA-N 484.532 2.426 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2)C1 917833426 SDUTWXVLSLIXEI-KRWDZBQOSA-N 481.509 2.301 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccccc3S(C)(=O)=O)cc2F)C[C@@H](C)O1 918799408 WOPBZLVKNXWMCT-IYBDPMFKSA-N 478.542 2.316 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1780224786 ZKKMNGXFZQSECE-NRFANRHFSA-N 492.319 2.433 10 20 JECD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008178 WOYOIDNEZZFEGY-QMHKHESXSA-N 497.976 2.498 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1[nH]cc3c1CCC3)C2 1783221886 PXUNXDQBAYMCFA-LEKYLPEBSA-N 481.549 2.461 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)cc1 1783246062 PVDXIAXYWBXIEQ-NTKDMRAZSA-N 489.663 2.302 10 20 JECD CC(C)(C)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)s1 1785539450 CUVQSUXCGUUVPV-OAQYLSRUSA-N 481.665 2.349 10 20 JECD CO[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccccc1 1795376988 SIWWZIOMZIWYIP-MNDZRTMASA-N 460.914 2.342 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)Cc2cccnc2)cc1 1796400222 ZPERCMCTZARIOH-AYEHBTSNSA-N 487.604 2.262 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cc[nH]c3cc1F)C2)C1=NN(c2ccccc2)C(=O)C1 1796480822 PHJMRNQNSOBBPV-XHNJZIHCSA-N 489.507 2.303 10 20 JECD Cc1ncccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799767443 RZIAJJCEAVUWEL-UPHUGPLXSA-N 459.930 2.291 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3cccc(F)c3)CC1)C2 1802078867 LEQXDLHIZZACLP-MBQWOLKWSA-N 482.508 2.277 10 20 JECD O=C(CCOc1ccccc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1806354200 RAOFCORAQSATDT-JPYJTQIMSA-N 498.630 2.417 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1nccc2occc12 1807795201 RNOLAGJNASIAMG-BTYIYWSLSA-N 495.586 2.403 10 20 JECD CC(C)N1CCC(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)CC1 1807993201 FSQBLXSNNYKJKA-XXBNENTESA-N 467.570 2.328 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc2cccnc2[nH]1 1809901830 SNQNCLHBDYXETL-IERDGZPVSA-N 458.478 2.398 10 20 JECD COc1cccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1 1813899202 SGLCWWZPHGCICL-ZDUSSCGKSA-N 490.632 2.167 10 20 JECD Cc1nc[nH]c1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814163757 KWFBKNMOTXZTCG-VJZFYYHCSA-N 463.494 2.263 10 20 JECD CN1CCC[C@H](C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)C1 1814167119 YDLSDDHSYZTKQE-NTQUVGCOSA-N 480.565 2.259 10 20 JECD CC[C@H](C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)N(CC)CC 1814185193 NDGMUIKRXXXTLU-DBXWQHBBSA-N 491.683 2.068 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(Cl)nc4n[nH]cc34)sc2C1)c1cc(O)nc(O)c1 1816063861 RJHAHTGTWYFOLS-SECBINFHSA-N 485.913 2.414 10 20 JECD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1820678797 OFOPXMRUHFRBQV-SCLBCKFNSA-N 496.499 2.479 10 20 JECD Cn1cncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1826035321 FVQBOKWRRRGFEM-NRFANRHFSA-N 462.554 2.446 10 20 JECD C[C@H](Cn1cccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828195486 OIXVTZCTKMRLSU-DJRXTCLHSA-N 483.550 2.418 10 20 JECD CCOC(=O)O[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828197633 FTFXJYZODXBQBW-KJSMGNOQSA-N 491.522 2.447 10 20 JECD CN1CCC[C@@H](C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)C1 1828197809 LQMGDYRJSGJINM-BKILABGBSA-N 472.567 2.227 10 20 JECD Cn1ncc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1Cl 1829499082 PMZBZDMCGGRASD-OAHLLOKOSA-N 484.047 2.167 10 20 JECD CC(C)[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)c1ccccc1 1830843032 IINWAHJQEOGXBG-DHLKQENFSA-N 469.538 2.003 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCN2C)CCO3)cc1 1832066649 SAGAAWCZTLJVPE-IGKIAQTJSA-N 480.609 2.258 10 20 JECD COC1(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)CCC1 1832899300 CBBSRIFEJYZODU-KRWDZBQOSA-N 467.657 2.426 10 20 JECD Cc1ccc(F)cc1C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1833152494 MORMGDUFSPUXOY-UHFFFAOYSA-N 492.642 2.180 10 20 JECD CC(C)COc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)ccn1 1834986850 BHPQLSOVVRJKTA-UHFFFAOYSA-N 497.596 2.422 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnc3[nH]1)CCO2 1837009475 WRBRARGDMVPHFE-QHCPKHFHSA-N 486.912 2.011 10 20 JECD Cc1nc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)ccc1F 1837280691 JNAIGYWAAZZGBQ-UHFFFAOYSA-N 458.490 2.261 10 20 JECD CC(=O)Nc1ccccc1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838032226 KTMKASIKIMNPEE-UHFFFAOYSA-N 482.537 2.377 10 20 JECD CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cn1 1839431580 AFAQJNRUXBBGNZ-QHCPKHFHSA-N 475.929 2.092 10 20 JECD O=C(/C=C/C1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccc(O)c(O)c1O)CCO2 1840881346 PTIBBAXJAOQJJA-PZNBEYCOSA-N 486.565 2.410 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2ccc(N3CCOCC3)cn2)C1 1842266177 DZNCMUAKPGDCKW-UHFFFAOYSA-N 472.929 2.114 10 20 JECD O=C(c1cccc(N2CCOCC2)c1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442519 PASXAYRPEZEPNJ-UHFFFAOYSA-N 487.560 2.133 10 20 JECD COc1cc(F)ccc1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843443189 QROCWELCTLLSJL-UHFFFAOYSA-N 450.470 2.444 10 20 JECD C[C@H](N[C@H](C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)C1CC1)c1ccccc1 1845885297 GMMGBQHHFVXTEC-AOMKIAJQSA-N 450.539 2.439 10 20 JECD CC(C)OC(=O)c1ncccc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(c2ccccc2)C(=O)C1 1848324596 NXRFMXQECDAVOM-SFTDATJTSA-N 489.532 2.255 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3cccc(OCC(=O)N(C)C)c3)CC2)cc1 743298844 IUMOZRARVVCMCR-UHFFFAOYSA-N 455.559 2.106 10 20 JECD CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)CC1 823027915 REVZXUXBFSKDJG-ZDUSSCGKSA-N 468.893 2.351 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 899391082 FVXYDIDGCFPNBC-FGZHOGPDSA-N 457.571 2.464 10 20 JECD O=C(CCNS(=O)(=O)c1ccccc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 918138609 NYFVFVXCYBKYTK-UHFFFAOYSA-N 455.939 2.301 10 20 JECD CC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc2[N+](=O)[O-])CC1 918374422 DVXYVKZBWQDSJC-UHFFFAOYSA-N 453.499 2.352 10 20 JECD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 919968568 GEQCAKPTMGHVPG-UHFFFAOYSA-N 456.934 2.463 10 20 JECD Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)no1 919971730 UUKLUUITVFHUBK-CQSZACIVSA-N 450.536 2.460 10 20 JECD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)ccc1Br 1780869154 IHWVMVKMTLZLAO-OAQYLSRUSA-N 476.327 2.321 10 20 JECD C[C@H](Sc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510265 JCHKMKUIRIOCSH-RHYXRXPESA-N 485.562 2.222 10 20 JECD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1)c1ccc(Cl)cc1 1785539004 DDXBIBJPIZGTEY-LHSJRXKWSA-N 482.027 2.134 10 20 JECD COc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1 1791949369 VNTFUMLMJDKZSI-GRWTVWFQSA-N 494.523 2.221 10 20 JECD C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1797926965 YNMZFOHOZVBLDG-JFMONLCZSA-N 474.558 2.248 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)[C@H]1CCc2nc(O)nc(O)c2C1 1800715561 FGPLJLJCCJFQIF-DEQVHRJGSA-N 488.928 2.009 10 20 JECD COc1cccc2c1C[C@H](C(=O)N1[C@H]3CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C3)CC2 1801544696 GWKKUXGYXCMQJE-ZJPYXAASSA-N 487.647 2.299 10 20 JECD CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1802172620 DBUAAONOXXPCBW-XMTFNYHQSA-N 474.558 2.438 10 20 JECD CNc1nsnc1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1802477066 NHMDWFYTAYEUAF-AGQHJLAASA-N 496.549 2.125 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1ccc(O)nn1 1805276032 QEPYIKLOHKMGAF-YJYMSZOUSA-N 469.885 2.275 10 20 JECD CC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1806387968 MYSIZJMKHGYQRG-CYFREDJKSA-N 461.522 2.250 10 20 JECD O=C(COc1ccc(F)cc1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1806478647 WQTCMKJPFBFXLT-WAIKUNEKSA-N 466.469 2.426 10 20 JECD CCc1nn(C)c(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)c1Cl 1807671485 GLSVFDBADBUCOR-UHFFFAOYSA-N 498.074 2.341 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc[nH]c3nccc2-3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993006 FYDKOLUTYDLUFT-BTYIYWSLSA-N 458.478 2.349 10 20 JECD CC(C)CNC(=O)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1808447613 UDYSOICIBKUKAU-DNVCBOLYSA-N 474.945 2.238 10 20 JECD C[C@@H]1CCc2c(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)n[nH]c21 1809250199 CEXJDDIETKUBJX-QCPUYCGNSA-N 462.510 2.294 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccn3cncc3c1)CC2)c1cc(O)nc(O)c1 1816725327 HGKKDPGILBLXQF-CYBMUJFWSA-N 450.480 2.137 10 20 JECD CC(=O)Nc1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1 1816727975 DKSGCQWENNWGRE-OAHLLOKOSA-N 467.507 2.447 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3c[nH]c4cnccc34)sc2C1)c1cc(O)nc(O)c1 1819409650 CKJUEICOBSTDRO-NSHDSACASA-N 450.480 2.365 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@@H]1Cc2ccccc2N1 1821768500 QQLDUGAMNLAZFR-DLBZAZTESA-N 484.607 2.299 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)Cn2nnc3ccccc32)CC1 1824850688 BHDHENHPVJBPJN-LJQANCHMSA-N 464.526 2.171 10 20 JECD O=C(c1ccc[n+]([O-])c1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715587 WGMJSZQGYGHKBA-QHCPKHFHSA-N 475.549 2.346 10 20 JECD CC(C)n1nccc1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828244836 SQKNTYFBLPOZFS-LLVKDONJSA-N 478.625 2.007 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cnc3snnc3c2)CC1 1829624301 JCDFLKIZHYPCRB-QGZVFWFLSA-N 468.539 2.440 10 20 JECD O=C(C[C@@H]1CNc2ccccc2O1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838029688 BFDCOHFMOTXRAG-HXUWFJFHSA-N 496.564 2.368 10 20 JECD COc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)cc1OCC1CC1 1843250518 HVKUIMKPSSLCMZ-UHFFFAOYSA-N 453.495 2.421 10 20 JECD CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H]2C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846193822 PIWNOLZLIFXUPY-CWPLJXCYSA-N 486.569 2.203 10 20 JECD C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccc(N2CCOCC2)cc1 109191053 MVZYUWXMPGWJMJ-ZDUSSCGKSA-N 468.373 2.424 10 20 JECD CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 727599012 QFDIKNHPDYVZQU-IBGZPJMESA-N 489.642 2.176 10 20 JECD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc(CS(N)(=O)=O)cc2)c1 728978833 QBUMGGZXBIHLRL-UHFFFAOYSA-N 452.536 2.219 10 20 JECD O=C(COC(=O)Cn1c(=O)nc(O)c2ccccc21)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 809001065 CDUNDQDQAWPZBG-UHFFFAOYSA-N 483.436 2.059 10 20 JECD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 916566164 ONQUDOLDLDUVLN-GOSISDBHSA-N 466.494 2.465 10 20 JECD CN(C)S(=O)(=O)c1ccc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c([N+](=O)[O-])c1 917391512 XILBQMMYBYJRHI-MRXNPFEDSA-N 461.544 2.159 10 20 JECD CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 917834765 PKCPNVOUZACJOJ-IBGZPJMESA-N 458.584 2.005 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCn3c(S)nc4ccccc4c3=O)cc2)C1 918373034 RLEXPJORSWXCLM-QGZVFWFLSA-N 465.579 2.093 10 20 JECD O=C(COC(=O)CCC(=O)N1CCc2sccc2C1)NCc1ccc(N2CCOCC2)c(F)c1 919602389 WJTJLTARBBIGSG-UHFFFAOYSA-N 489.569 2.248 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccn(-c4ccc(OC)cc4)n3)CC2)cc1 920639442 ZCFUULREZDOYME-UHFFFAOYSA-N 450.495 2.395 10 20 JECD Cc1c(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C 920922631 HTPYLSNEUMSNEQ-KRWDZBQOSA-N 463.538 2.137 10 20 JECD COc1cc(C)c(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1OC 1781898372 OIQYNQCQRYYOJK-UJWGQFCKSA-N 498.532 2.286 10 20 JECD COc1cccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1 1787539052 IKDDUDNEZZPRFR-APTRMMRNSA-N 490.560 2.010 10 20 JECD Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)n[nH]1 1789592192 VVJOTGJOBWSKTE-UHFFFAOYSA-N 457.581 2.255 10 20 JECD COC(=O)[C@H]1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)C1 1791246230 AMMHVJOQVWUWMR-BHZNCXQASA-N 494.972 2.324 10 20 JECD Cc1c(F)ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1N 1795701978 VNWYEIJWZFYKOK-DBWKPXFBSA-N 463.893 2.298 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc(-c2ccccc2)ns1 1796369445 UBFUFJBLQASHOO-QDMKHBRRSA-N 487.632 2.317 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ccoc3c1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480637 BKENTLLFICFGCP-NHKMSHSESA-N 472.501 2.429 10 20 JECD CC[C@H](C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)N(CC)CC 1803705804 KUMQZNDDJNUAML-DBXWQHBBSA-N 491.683 2.068 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccno1 1805637173 KWWCSPYDDLDCQN-XGBCVQCSSA-N 450.451 2.219 10 20 JECD Cc1noc(N)c1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1807111116 LRPFHQZCATWJHT-OWVOHWSCSA-N 479.493 2.110 10 20 JECD O=Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1807388552 QXURNASEWMQWCJ-IFXJQAMLSA-N 488.616 2.136 10 20 JECD CN(CC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)C(=O)OC(C)(C)C 1807991031 MVIZKYLQZIKSFS-HRAATJIYSA-N 485.541 2.074 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc(-n3cncn3)c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999144 HSVHEBUAESIYJN-JPYJTQIMSA-N 485.504 2.102 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cccc2nc[nH]c12 1808007597 LRMKUNKLIDVTIU-YCRPNKLZSA-N 494.602 2.138 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccn2ccnc2c1 1809873721 JIFWXXUBWNXEOF-VGSWGCGISA-N 458.478 2.169 10 20 JECD O=C(O)c1cnncc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1810806117 OICDVVRXXMFNPD-BFUOFWGJSA-N 497.895 2.268 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)N1C[C@H]2C[C@H]2C1 1814164167 SMCFODCQDLYARS-KZYWLIOLSA-N 492.576 2.258 10 20 JECD CC(C)c1nc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)no1 1815814506 GALOWHHLHWIKFT-CQSZACIVSA-N 455.475 2.271 10 20 JECD Cn1ccnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1816550840 YBASDUMYMUXBTB-GOSISDBHSA-N 460.498 2.242 10 20 JECD C[C@@](O)(C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)C(F)(F)F 1817363986 MAUXUEWXPDCBNC-PRWKNARSSA-N 495.483 2.161 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccn3cn2)[nH]n1 1823497443 DQMYFMOXJGZUKZ-MRXNPFEDSA-N 483.579 2.224 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cncs2)CC1 1826135228 JUXVCDGJXNZGAQ-AWEZNQCLSA-N 452.627 2.237 10 20 JECD O=C(CCc1ccccn1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896697 NIYVQBNJQIGHHG-LJQANCHMSA-N 474.652 2.494 10 20 JECD Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1[N+](=O)[O-] 1834987223 HPBMKDMVEQCQSG-UHFFFAOYSA-N 497.552 2.137 10 20 JECD Cc1cnc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)cn1 1837444332 AABMCEFYZCMPRJ-HWKANZROSA-N 482.537 2.227 10 20 JECD Cn1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c(C(F)(F)F)n1 1838029693 BNAYPFDPJADPTQ-UHFFFAOYSA-N 497.474 2.171 10 20 JECD COc1ccc(OCC(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1841189635 CLZJBPOIYQZMGJ-UHFFFAOYSA-N 462.506 2.070 10 20 JECD COc1ccc(Cl)cc1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055880 NRLNUBHJEFYRDT-UHFFFAOYSA-N 453.973 2.026 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O 1847571491 VBQXTFJBEWDRGR-WYYKJYLUSA-N 475.542 2.179 10 20 JECD O=C1COc2cc(NC(=O)C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)ccc2N1 726727634 RSPQTYZCKGMDFK-UHFFFAOYSA-N 460.437 2.343 10 20 JECD Cc1ccc(Br)cc1S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 726976816 QGFUXNIAMHBYMJ-UHFFFAOYSA-N 473.414 2.471 10 20 JECD Nc1c(C(=O)OCC(=O)Nc2nnc([C@H]3CCCO3)o2)ccc2c1C(=O)c1ccccc1C2=O 727503091 FDGMPZSIRTWTET-OAHLLOKOSA-N 462.418 2.074 10 20 JECD COc1ccc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1[C@]1(C)NC(=O)NC1=O 731038004 BLMIBGJRCNKKDR-DEOSSOPVSA-N 486.594 2.465 10 20 JECD Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nc2n1 795046892 RGCNTAXCGKOORK-UHFFFAOYSA-N 455.430 2.312 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)OCC(=O)N1CCOCC1 913363943 TWDQCPLGIJNVRY-ZROIWOOFSA-N 485.381 2.052 10 20 JECD COc1ccc(N2C[C@H](C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2=O)cc1 917834710 OCVIYSFEOUIEHH-RBUKOAKNSA-N 450.539 2.066 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cn3cnc4ccc(Br)cc4c3=O)cc2)C1 917836337 LLDUXSCVIJDZPZ-MRXNPFEDSA-N 498.381 2.177 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCCCn3nc4n(c3=O)CCCC4)cc2F)C[C@@H](C)O1 918218921 XVMGCQYBLXYMRG-IAGOWNOFSA-N 460.554 2.023 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(CN4CCCC4=O)cc3)CC2)cc1 918251081 YAXQTHYJJZYULW-UHFFFAOYSA-N 493.608 2.085 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc([N+](=O)[O-])cc3N)cc2F)C[C@@H](C)O1 918799733 HMPOBDDPMSAGOP-OKILXGFUSA-N 460.462 2.403 10 20 JECD C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971028 GBRHPHMPPMHLQR-SANMLTNESA-N 480.540 2.402 10 20 JECD COCCCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)S(=O)(=O)c1ccccc1F 920402499 DKEHQGVIWAWJMU-UHFFFAOYSA-N 479.574 2.210 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H](C(C)C)n3nnc(-c4ccccc4)n3)nc12 920584464 MXPFBRPDMOEJBL-GOSISDBHSA-N 465.470 2.206 10 20 JECD C[C@H]1CN(c2ccc(CNc3ccc(S(=O)(=O)N4CCOCC4)cn3)cc2F)C[C@@H](C)O1 1317886344 GFKZNPYFFURNIS-CALCHBBNSA-N 464.563 2.467 10 20 JECD COc1cc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)ccn1 1782003070 ANUJDEGIHGFVHG-QHCPKHFHSA-N 475.929 2.231 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1cc3cc[nH]c3cc1Cl)CCO2 1785541236 XMZIOALRBCDSPW-OAQYLSRUSA-N 493.010 2.125 10 20 JECD Cc1ccc(O)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1 1787540154 KJPDINNYSUBPFU-NYDSKATKSA-N 476.533 2.087 10 20 JECD N[C@H](CC(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1)c1cccnc1 1788096807 OFPOPSHTQYULGP-GOSISDBHSA-N 483.619 2.466 10 20 JECD NC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1)c1ccccc1 1790243295 DHOQKEWRPDEIQG-DKXUYOFUSA-N 473.957 2.087 10 20 JECD O=C(CCCn1cccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1791663026 FKLKAOIRUZMRNX-RRPUWOKSSA-N 477.565 2.041 10 20 JECD Cc1cnc(Cl)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796481358 TUWRFHSVSDDCMU-VPTLXERWSA-N 481.940 2.040 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)ccn2C)C3)cc1 1799620857 JRVRRPPTGVJJTN-GQEURGSBSA-N 474.561 2.310 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc([N+](=O)[O-])o1 1802265327 PQNPROPPLQLHEU-ORAYPTAESA-N 453.411 2.022 10 20 JECD COc1ccc(OCC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1802816217 ZHBLOVSWXZNLMK-MZNJEOGPSA-N 478.505 2.295 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804285820 VLCWTBQQVDBDNM-FNEHVWACSA-N 452.511 2.350 10 20 JECD COc1cnc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cn1 1806049574 ATHLVYLSKSUZKA-VVVOIBFMSA-N 491.504 2.030 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1nc2ncccn2n1 1809229766 GBYRPHQAAVRFTC-KDOFPFPSSA-N 493.911 2.217 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc(O)c([N+](=O)[O-])c1 1810708139 WXFHSXDMJJISOK-QVKFZJNVSA-N 479.449 2.135 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1c(F)cncc1F 1811042068 ZADQDZUHPVLRDK-XCLFUZPHSA-N 455.421 2.194 10 20 JECD CCn1nccc1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162059 FNDVWMSWSTVPKH-XZSBDORCSA-N 477.521 2.448 10 20 JECD COc1cc(CCC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)ccn1 1816720810 AFPZTPGDSZLTCW-AWEZNQCLSA-N 469.523 2.212 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3ccccc3n1)CC2)c1cc(O)nc(O)c1 1816725921 RZYYLOVUEAUYAP-LBPRGKRZSA-N 462.491 2.432 10 20 JECD Cc1cc(C)n(CCC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)n1 1816729471 ZXTHTHYXTABMDM-CQSZACIVSA-N 456.528 2.079 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cc[nH]c4nccc3-4)sc2C1 1816826930 NQQZGEXDWOKWGR-JTQLQIEISA-N 486.604 2.057 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3nc[nH]c3[N+](=O)[O-])sc2C1)c1cc(O)c(O)c(Cl)c1 1817202974 MKBWQVXVONGNBN-MRVPVSSYSA-N 478.874 2.379 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2ncncc2c1 1819186700 AEBJPVSLAKMJQX-AWEZNQCLSA-N 462.491 2.432 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc4cnccc4[nH]3)sc2C1)c1cc(O)nc(O)c1 1819297617 BCDUGFZLJPQWDN-LBPRGKRZSA-N 450.480 2.365 10 20 JECD O=C1C[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CCN1 1822482185 DDJPZCGHWGKHNZ-IAQYHMDHSA-N 461.906 2.306 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CNc3ccccc32)[nH]n1 1823497683 HARBZGCCILIYFG-RHSMWYFYSA-N 484.607 2.471 10 20 JECD CCOC(=O)O[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1824613342 VWTLDDVAZACJFD-CSCBSUNKSA-N 491.522 2.447 10 20 JECD CN(C)c1cncc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1 1825430438 SIKQMNJQGKETEC-LJQANCHMSA-N 489.667 2.241 10 20 JECD O=C(c1cc2n(n1)CCCO2)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428486 QTLISPJWHJEJNU-SFHVURJKSA-N 455.515 2.019 10 20 JECD Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c(C)n1 1828247282 RFGWSSLVVOUZDX-LBPRGKRZSA-N 475.621 2.241 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CC(F)(C2)C3)CC1 1832896703 NKVLHMTXDSNNIF-TVRCVXMWSA-N 453.605 2.359 10 20 JECD O=C(c1ccc(I)cc1F)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251351 WLVUQGMJOPUSAY-UHFFFAOYSA-N 497.264 2.367 10 20 JECD COc1ccc(N2CCC(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)CC2)cc1 726561738 OPJCWDUUUHSMNE-UHFFFAOYSA-N 457.596 2.324 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(-n4nnnc4SC)c3)CC2)cc1 726728539 UYIAYMFNPYVSBE-UHFFFAOYSA-N 467.555 2.117 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@@H]3CN3C[C@H](C)O[C@H](C)C3)CC2)cc1 729586243 FQSOWRXGLZSKRZ-AOHZBQACSA-N 473.662 2.491 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 731405493 GBNAJVHJKZWQFE-UHFFFAOYSA-N 460.538 2.373 10 20 JECD CCn1c(=O)nc(O)c2c(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)cc(C3CC3)nc21 914647248 HHMKGNJHIGFFMS-UHFFFAOYSA-N 479.537 2.276 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(Br)s3)CC2)cc1 917317320 DOLUKBMQFCFBAK-UHFFFAOYSA-N 496.383 2.141 10 20 JECD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccc(N2CCSCC2)cc1 918617751 DBHLGYWBSQNNKC-UHFFFAOYSA-N 462.593 2.491 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cc4c(c(C(=O)O)c3)OCCO4)cc2F)C[C@H](C)O1 919729597 XGTVBWOYOBDAMQ-KBPBESRZSA-N 480.514 2.387 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2)c1cc(O)nc(O)c1 1777852171 WEPWSGQMVVTRHT-SHRAGUKFSA-N 482.493 2.242 10 20 JECD Cc1nc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c(C(F)(F)F)o1 1778065203 GHWHPTNXYFYYJY-ZUOKHONESA-N 484.431 2.249 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCCO1)C2)c1cc(O)c(O)c(Cl)c1 1781119541 NAZFSIHFFIEVLD-JBYIUTFZSA-N 452.935 2.448 10 20 JECD O=C(COC1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1783862219 BRYVTZPYTFZLGY-QOCPPALMSA-N 474.554 2.146 10 20 JECD COCCn1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)n1 1788428045 VTZXHLKRFHOXAL-UHFFFAOYSA-N 451.483 2.397 10 20 JECD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1)c1ccc(O)cc1 1792217983 MDGNMPPGBBOBOO-NUPCCKMWSA-N 482.533 2.306 10 20 JECD Cc1ncncc1C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792314892 DTKRVPWEDMUKDJ-UHFFFAOYSA-N 455.565 2.393 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)COC(=O)C(F)(F)F)CCC2)cc1 1792315136 HTLIDQRVKJMMQP-UHFFFAOYSA-N 489.497 2.086 10 20 JECD CS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796930807 CJVLDMUBDJAAAM-FNLKRUPLSA-N 494.573 2.135 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cnc2ccccn12 1796934361 JSCAQPSOCYFNSK-GGPHIMKMSA-N 456.506 2.379 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)cc1 1799620289 FDXJJGRFPJBYGH-IRJINJETSA-N 476.533 2.417 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSc2nc[nH]n2)cc1 1801301600 NLPOROVLRKVKHG-HATOLVCRSA-N 480.594 2.208 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1803150583 JMHBHKBJDUFRQA-HZUJVAHNSA-N 499.568 2.368 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1ccc2nonc2c1 1804286012 NFVBGQSVMSUFCF-AKNOBNDCSA-N 450.451 2.305 10 20 JECD Nc1ncc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)s1 1807271945 HEQTXBIXGGNTLX-IIBYNOLFSA-N 489.561 2.233 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3cccnc3nc2O)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999740 MYXNGVLUANSCBT-IERDGZPVSA-N 486.488 2.170 10 20 JECD O=C(/C=C\C(=O)NC1CC1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1810135168 NQCSQTGHOWXVEV-VPQSVRNMSA-N 484.940 2.301 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(O)cc([N+](=O)[O-])c1 1811678162 DQDWLULYJMRLGQ-SPLOXXLWSA-N 479.449 2.135 10 20 JECD O=C(Cc1ccc2c(c1)CCO2)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812823773 FPDLKSNDINSNRA-UQBPGWFLSA-N 474.517 2.385 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1812950948 ZOLQALGPZRHVBZ-KKVAFCGZSA-N 485.541 2.121 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)COc2ccccc2)[C@@H]1c1cccnc1 1814185493 CBHHWYYDCJXNCT-VGOFRKELSA-N 484.603 2.027 10 20 JECD Cc1nc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)sc1C 1814190407 ZNUWZQYWRDYWOA-CRAIPNDOSA-N 489.648 2.335 10 20 JECD COc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)ccc1[N+](=O)[O-] 1816728085 HLSFGMZKBZIGEZ-GFCCVEGCSA-N 485.478 2.406 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1817323144 LYGKUFFBWHXWIL-DYVFJYSZSA-N 451.487 2.417 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccnc2)[nH]n1 1823497214 BARZFTXKQZIWAZ-INIZCTEOSA-N 472.596 2.290 10 20 JECD Cn1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c(C(F)F)n1 1823498414 QKFPHFNKKWVBKD-GFCCVEGCSA-N 497.553 2.247 10 20 JECD COc1ncc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cc1F 1825503339 JRQXLJKMIWGGRO-QGZVFWFLSA-N 494.614 2.323 10 20 JECD O=C(/C=C/c1cnccn1)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1827012766 SJYOFDMDEXSOJJ-HEWZJLJBSA-N 487.545 2.351 10 20 JECD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)n(C)n1 1834189149 JHAZXHZRRAKDPY-UHFFFAOYSA-N 475.977 2.292 10 20 JECD COc1ccc([C@H]2C[C@@H]2C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834985935 REAUSEUEEHQNTN-PKTZIBPZSA-N 494.592 2.490 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)[C@@H]1CCc2ccccc2O1 1836558574 XGFIAGKZYAVHMW-QFIPXVFZSA-N 480.565 2.072 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)CC1 1838031524 LNCKRDIJVIOYGE-OAQYLSRUSA-N 467.522 2.109 10 20 JECD CCc1ncsc1C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838562478 CRBDREQQKGJESM-UHFFFAOYSA-N 496.680 2.178 10 20 JECD C[C@H](Cn1ccnc1)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838807600 LXYLCOHTWFRBNP-YWPBOTNQSA-N 498.580 2.348 10 20 JECD CCCCC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1839902241 LYYXXIGNIGVWLA-RXFWQSSRSA-N 484.597 2.452 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(F)CCCC=C1F)CCO2 1840952871 ZOJPXURBVROQFG-BJHKHANUSA-N 494.491 2.019 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(c2ccc(O)cc2)CC1 1847594819 JQUFKJSJUSWWMW-OZCBGMPFSA-N 450.491 2.456 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCc3cccc(NC(=O)[C@H]4CCCO4)c3)CC2)cc1 726242426 ZTXHKUXITJZNOB-XMMPIXPASA-N 481.597 2.434 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)c1 729065218 ADFZASVFVDTOGP-CQSZACIVSA-N 479.555 2.256 10 20 JECD COC(=O)CCc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 729784174 FNUNZXZMGATDIG-UHFFFAOYSA-N 453.539 2.256 10 20 JECD Cc1nc2cc(O)nn2c(C)c1CCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 751351292 VLILRWZSDMTJQN-GOSISDBHSA-N 450.543 2.002 10 20 JECD Cc1cc(C)cc(N2CC[C@H](C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)C2=O)c1 919749896 DYFPJOJFIGFTGW-JOCHJYFZSA-N 455.580 2.208 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@H]1CCN2CCC[C@@H]2C1 919782755 DSALREXETXVIGG-VQTJNVASSA-N 453.566 2.368 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4cccnc4n3)C2)C1 1778433601 PTNSLVVBQXHJJE-QHCPKHFHSA-N 468.897 2.452 10 20 JECD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)[S@](=O)c1ccccc1 1782009616 XNWASCJMFHPDBQ-KTKXRIKSSA-N 492.981 2.391 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4ccnn4c3)C2)C1 1782404749 IGQDQYXWXWKJIR-JOCHJYFZSA-N 456.886 2.156 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)C2)C1 1782861356 XRESQVSCRYVTOO-QRQCRPRQSA-N 494.038 2.060 10 20 JECD COc1ccc(OC)c(CCCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)c1 1789920157 ZZUUAYPKKHAPED-XJABCFGWSA-N 499.564 2.126 10 20 JECD CSCC[C@@H](O)C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1791620417 BIECWXAGTPEPFJ-OAHLLOKOSA-N 467.638 2.095 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4sccn4c3)C[C@@H]21 1792219374 SOTGUNVVRXCCCL-QZCMVUTJSA-N 483.546 2.424 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1792314026 WPOKCWFRMOKUCX-UHFFFAOYSA-N 472.548 2.101 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)CCCC2=O 1797551581 LPRIFCNEAJREEO-BJWYYQGGSA-N 471.604 2.318 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1Cc2ccccc2C1=O)C1=NN(c2ccccc2)C(=O)C1 1797762906 HZRIKDUVACNHIQ-QQFNCUIESA-N 499.571 2.464 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1cc(Cl)sc1Cl 1798296001 KFMSQRUBKCZHKS-ICCCGROCSA-N 494.447 2.118 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1800021366 PRZRFCMTEQJTBP-OWLYRPNTSA-N 474.558 2.392 10 20 JECD CCCNC(=O)CCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1803449337 RJXPSXDZGMLRJH-XVVTZVGRSA-N 496.564 2.224 10 20 JECD COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1806586036 USUGPYUIWIFWPJ-UUOWRZLLSA-N 462.506 2.459 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2c2cccnc2)cc1 1808266794 CRURKSKZKZDBNX-OEMFJLHTSA-N 460.582 2.095 10 20 JECD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)[nH]1 1808464297 KIXMWSXIODBKGD-JPYJTQIMSA-N 471.521 2.226 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccc([N+](=O)[O-])[nH]1 1811620616 YUQVFDKAEJPNBY-DGUTUTPCSA-N 493.476 2.468 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)[C@@H]1Cc2ccccc2N1 1812434507 YTFHVAMJIVBBEU-KPDCDPCYSA-N 459.506 2.244 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CC[C@@H](N)C(N)=O)sc3C2)cc1 1815067083 UPCVDYCPQXVIQL-IEBWSBKVSA-N 494.621 2.369 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ncc(F)cc2F)CC1 1824748197 VTGDIZGVWBUMEN-MRXNPFEDSA-N 482.578 2.453 10 20 JECD Cc1nnc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)s1 1825232000 XRVOAYHLHJAPOF-INIZCTEOSA-N 495.696 2.259 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1onc3ccccc13)CC2 1828247547 YCZTWQQPFYGNIL-JTQLQIEISA-N 487.588 2.370 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2Cc3ccccc3O2)CC1 1828434092 MBDLZSHGXBKSBU-AZUAARDMSA-N 487.647 2.470 10 20 JECD O=C(CSc1ccncc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1832710904 WKXMKTGHDBHXOW-JOCHJYFZSA-N 493.969 2.009 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3CCC3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132885 XRBHYQIUYADWNE-UHFFFAOYSA-N 451.571 2.151 10 20 JECD CNc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1835607145 AGIFHYPSIGHHEH-QHCPKHFHSA-N 475.929 2.177 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cccc4c3OCCO4)CC2)CC1 1838031568 PWRDLRISKQRCEO-UHFFFAOYSA-N 483.521 2.190 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)C[C@@H]2COc3ccccc3O2)C1 1841548596 JVIWGBNECGIKBF-LJQANCHMSA-N 474.517 2.213 10 20 JECD COC(=O)CSCc1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 728758841 XMLMPILGWKOGMG-UHFFFAOYSA-N 475.542 2.323 10 20 JECD Cc1cc(C(=O)CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)c(C)n1-c1ccc2c(c1)CCC2 757916454 VPSWMNBEHQOXIL-FQEVSTJZSA-N 457.552 2.121 10 20 JECD CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 864358097 ISVAOVNSFZVXCD-CQSZACIVSA-N 496.563 2.213 10 20 JECD CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 917707582 OUEXRHMDPBAWOG-UHFFFAOYSA-N 465.547 2.046 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NC[C@@H]1COCCO1 917814347 RQCVKPMYORWEEI-PFLCFFIHSA-N 457.371 2.182 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@H](c3cccc(F)c3)N3CCOCC3)cc2)C1 921199585 MARMEBNNLZOPDE-ZJSXRUAMSA-N 483.588 2.400 10 20 JECD Cn1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc2ccccc21 1777848438 VEWJYJDFOAEIME-CJFMBICVSA-N 464.522 2.426 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1779292204 PAFNJECNHVPXIL-SWWFSWNPSA-N 454.527 2.121 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)CCc3cnc4[nH]ccc4c3)C2)C1 1783680167 QVYVSTSWACBURU-GBFLMCMZSA-N 492.532 2.156 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(-c4cccnc4)c3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242210 VGHKPRTXTXYKPB-XQAUZQBESA-N 497.939 2.239 10 20 JECD CC(C)N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1)C(C)C 1790243299 DWHIOMFAYLQHAR-JKTDJZPLSA-N 467.994 2.367 10 20 JECD COc1cc(Cl)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)c1 1792027961 JPDVDBZJXPDXSN-IGNZVWTISA-N 461.902 2.062 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccccc1OC(F)F 1792030815 LXHOJEXUSNRNDV-NUTKFTJISA-N 463.437 2.001 10 20 JECD C[C@@H](Cc1ccco1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792221120 DCFSHNDREMCDDT-CADZRSNNSA-N 470.522 2.268 10 20 JECD CC(C)(Cc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792237147 APEJDWIDCYQTEL-FHWLQOOXSA-N 489.663 2.095 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1scnc1C(F)(F)F 1794983888 WLOYEMUJRQJMLT-RVKSUISCSA-N 499.467 2.195 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1797700537 PTDZFGFDOQCFLV-WRHDZBKDSA-N 481.597 2.005 10 20 JECD O=C(Cc1cccc(F)c1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1800664959 FEOPJWASZHKJOG-VTEUUUEMSA-N 466.868 2.475 10 20 JECD Cc1cc(F)cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1801082774 PLONMCVUCYMTBZ-HBNMSFMJSA-N 478.524 2.059 10 20 JECD Cc1cccc(/C=C/C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)n1 1802460375 RQDRKHHHYIFBKN-XUERSVHISA-N 495.630 2.365 10 20 JECD CC(C)OCC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1802654377 VOGQQPNFOXYYMQ-NTKDMRAZSA-N 463.538 2.305 10 20 JECD CC(=O)c1cc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n[nH]1 1808463647 DWTONISIISGKPK-UUOWRZLLSA-N 499.531 2.120 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1cnoc1 1808521689 NBJREBFZXXPCHN-JTSKRJEESA-N 458.478 2.182 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccn2ccnc12 1809886580 HZOCNXOQBABFIP-KKSFZXQISA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1[nH]cnc1-c1cccnc1 1811330420 YDEZJKOUFCMSPD-GAJHUEQPSA-N 485.504 2.306 10 20 JECD Cc1n[nH]cc1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814163823 NCBBEQDPOCXWBB-PQGDUDRBSA-N 463.494 2.263 10 20 JECD COc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1814186075 KVHGQICFTWRQDW-WZONZLPQSA-N 498.630 2.199 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3nccn3c1)CC2)c1cc(O)nc(O)c1 1816726400 YEJDLARBFCSNHU-ZDUSSCGKSA-N 450.480 2.137 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cncc(O)c1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817367274 WDCIDQJVOFFXET-CQSZACIVSA-N 476.518 2.262 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@H]1Cc2ccccc2CN1 1818046348 BSDFPMMRDKLOHM-RTBURBONSA-N 462.510 2.236 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1cc[n+]([O-])cc1 1820029651 PNUHJBHONGMQQD-FQEVSTJZSA-N 473.493 2.142 10 20 JECD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)n1cncn1 1822772134 VLBUGXZKHLNRLI-PSYXSKQDSA-N 467.486 2.085 10 20 JECD O=C(COc1cccnn1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832882412 HLMUGIWOBLUYFG-QRBZPYHOSA-N 482.537 2.305 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)n4ccnn4)C3)C2)cc1 1839348085 AQUXCUKBBXJLCQ-HFZDXXHNSA-N 492.580 2.017 10 20 JECD Cc1c[nH]c(C)c1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432586 QXKYOBHMKUDIQM-XMMPIXPASA-N 491.972 2.399 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433580 YFLXNWAXUGTMGL-FYSMJZIKSA-N 490.940 2.289 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)C3(C(F)(F)F)CC3)C2)C1 1839434046 KGCSIGMXNCMLHV-GOSISDBHSA-N 478.851 2.164 10 20 JECD O=C(CCc1cnc2[nH]ccc2c1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442160 CPMACRGLSGOBGE-UHFFFAOYSA-N 470.533 2.492 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038714 ODSWRVWWJHTWPM-GQCTYLIASA-N 466.416 2.086 10 20 JECD CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(N2CCOCC2)cc1 108808684 IGWOQHHAPVOLOX-OAQYLSRUSA-N 470.595 2.437 10 20 JECD C[C@@H](NC(=O)NCc1cccc(C(=O)NCCN(C)C)c1)c1ccc(N2CCOCC2)cc1 727602845 UONOKMLWIKVVAN-LJQANCHMSA-N 453.587 2.375 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)nc12 731275179 DKXYAKAGIYANII-MRXNPFEDSA-N 452.467 2.207 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCNC(=O)[C@@H]3c3ccccc3)CC2)cc1 749007682 IANDJPVVJCYWGZ-QHCPKHFHSA-N 451.571 2.090 10 20 JECD C[C@H](OC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 775933980 KSINQBZHJLSVLC-ZDUSSCGKSA-N 478.482 2.293 10 20 JECD COC(=O)C1CCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 913630384 RCDJMOXVIRSHST-UHFFFAOYSA-N 463.468 2.126 10 20 JECD COc1ccc(-n2c(C)cc(C(=O)N3CCN(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)CC3)c2C)cc1 914761772 BANIRPCXYKDZBF-KDURUIRLSA-N 490.626 2.215 10 20 JECD CCN(CC)S(=O)(=O)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1251440254 JSTROAZJARVVSN-LCYFTJDESA-N 492.442 2.353 10 20 JECD Cc1cc2nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)c4cc(O)nc(O)c4)C3)[nH]c2cc1C 1777848012 GZXSRVRAGSNNND-KBMIEXCESA-N 479.537 2.427 10 20 JECD C[C@H](Sc1ccccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777851638 MZPYVDNBURHGDS-XSSDXNQZSA-N 472.567 2.196 10 20 JECD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1)c1ccccn1 1778127157 CHVZQUUXWTWOGB-AVHWCYKHSA-N 489.576 2.492 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)c2n1 1780044810 ONBJBCKNCUCWQV-HSZRJFAPSA-N 486.912 2.393 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccc(Cl)nc1)CCO2 1785505289 IJQFGJPHKHGTLF-PHUOZXCHSA-N 459.886 2.009 10 20 JECD COc1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787540191 MUMKWERYAHLRFL-NYDSKATKSA-N 476.533 2.081 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc5ncccn5n4)C[C@@H]32)cc1 1790126706 HSTXQRIWNWYEHC-PMVMPFDFSA-N 499.575 2.439 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3cccc(Cl)c3)CC1)C2)c1cc(O)nc(O)c1 1796138007 STIPBXKVQSCSAJ-YVWYUNDQSA-N 457.914 2.081 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)Cc2cscn2)cc1 1796305864 IXHCJLXGCDPNQN-KZTDQWPFSA-N 493.633 2.324 10 20 JECD Cc1cccc2[nH]c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc12 1796479307 AGQSWWKDHITGPR-LWDWJGHZSA-N 485.544 2.472 10 20 JECD COc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1802807191 DEJRMXRXYUOWQO-BXKMTCNYSA-N 478.505 2.295 10 20 JECD COc1nccnc1C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1807582961 KGSABLGXXIVHBY-UHFFFAOYSA-N 476.537 2.123 10 20 JECD COc1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] 1808000448 IPYHRHZIBVQTHT-ZHRRBRCNSA-N 493.476 2.438 10 20 JECD Cc1c(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cnn1C 1808468096 OCYQGXUGGMVBIA-YADARESESA-N 485.548 2.236 10 20 JECD Cn1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)c1=O 1811796867 MMCYXCIEJKAEEA-MGPUTAFESA-N 482.924 2.478 10 20 JECD O=C(Cc1ccc(O)cn1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813501179 WBFKEEYMAXEGBK-AFMDSPMNSA-N 498.543 2.224 10 20 JECD CCO/C=C/C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814165850 LCOUCFIJHKMQQV-RSPKXVGVSA-N 453.495 2.468 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc(O)cc1 1814190046 PLUKOZXSQYBUDE-VPKVUBIPSA-N 498.630 2.457 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)n[nH]1 1814190368 YNLRHIDCZXFECD-MGPUTAFESA-N 486.623 2.108 10 20 JECD CC(=O)N[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)C(C)(C)C 1815057796 KCBWKCAENHWLHN-DNVCBOLYSA-N 458.519 2.073 10 20 JECD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)nn1C 1817364767 YNTIZUSCKFPITC-CQSZACIVSA-N 477.550 2.204 10 20 JECD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)n1cccc1C=O 1823497122 ABMCOIITXABXPJ-XJKSGUPXSA-N 488.595 2.137 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCS2)[nH]n1 1823500521 CLVWDWDTYXMMJR-STQMWFEESA-N 453.615 2.158 10 20 JECD O=C(Cc1cncnc1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715730 YMTBRIYKWVOFNV-HSZRJFAPSA-N 474.565 2.432 10 20 JECD Cn1ccnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876153 CRQBFBFPQJMPLT-IWHGQQBYSA-N 454.527 2.484 10 20 JECD COc1ccsc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433633 MPJNFCRFJQTKPF-OAQYLSRUSA-N 482.942 2.205 10 20 JECD COc1cc(CC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)cc(OC)c1OC 1847033847 KNUWBBNLTBFHKP-SOFGYWHQSA-N 498.532 2.289 10 20 JECD COc1ccc(N2CCCN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CC2)cc1 108433764 JSPXVSNZGQHAEN-UHFFFAOYSA-N 459.568 2.069 10 20 JECD CCOc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)CC)c(OC)c2)cc1C(=O)O 727720310 XWGOULPXKGNEIL-UHFFFAOYSA-N 458.514 2.355 10 20 JECD CNS(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1C 731131292 JPCVQNHSBLJBID-UHFFFAOYSA-N 458.584 2.394 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)cc1F 747011241 NMLYXBMTAKQAKN-UHFFFAOYSA-N 489.573 2.397 10 20 JECD Cc1sc2ncn(CC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c(=O)c2c1C 917834179 YDHOEBAJNWROQJ-KRWDZBQOSA-N 453.568 2.093 10 20 JECD CCC(CC)[C@@H](CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)N1CCOCC1 918005833 KGNGYYXHRHULLV-JTHBVZDNSA-N 459.635 2.325 10 20 JECD O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918296689 YQTDAHMOIZFSDR-HXUWFJFHSA-N 473.551 2.078 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3cnc(Cl)s3)C2)C1 1779726045 YRFVXTKWXNRISK-NRFANRHFSA-N 473.942 2.033 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)c21 1782007024 GVEJLRZAHIEMKH-HSZRJFAPSA-N 486.912 2.101 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCC(=O)NC4)[C@H]3C2)cc1 1783631739 VYDUXHXXWHZSLU-KJBBBAAKSA-N 478.593 2.214 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1scnc1C1CC1)CCO2 1785509157 TZIJMNOWVRHHQI-DOHLAZSCSA-N 471.535 2.294 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)C3Cc4ccccc4C3)C2)C1 1785678231 UICDURBGGYCHPJ-MHZLTWQESA-N 472.545 2.024 10 20 JECD CN(C)[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccccc1Cl 1790677094 CMVKCGJRDXCIDJ-JLHDJQRBSA-N 488.972 2.042 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(F)c(F)c1 1792826526 FBHKSMCHYGQHGN-QDMKHBRRSA-N 467.563 2.396 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(N2CCOCC2)cn1 1794768673 MCYAJYQTKJHFMA-POVUVCFGSA-N 494.548 2.000 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CCC(CC1)CC2 1801521517 SBBHCSSTJMURTN-OAHRXOEWSA-N 464.566 2.339 10 20 JECD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1Cl 1801794296 ZYZJJRRDPBSZEE-CPVVTZALSA-N 488.924 2.382 10 20 JECD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c(Cl)c1 1802082701 ZSAQDZBSBSWAGD-GCZWLPJRSA-N 488.924 2.382 10 20 JECD COc1cccc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1807991192 NMSWJEPPDQQYJI-KOSHJBKYSA-N 462.506 2.459 10 20 JECD Cn1ncc2cc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)ccc21 1809428037 OVINBDXWPWJCAR-UZUQRXQVSA-N 472.505 2.408 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3ncn(-c4cccc(F)c4)n3)CC2)C1 1810547825 WXKAWBYYVZWVJQ-UHFFFAOYSA-N 480.500 2.371 10 20 JECD Cc1ocnc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1811073928 JSOKJKRFMLKVBP-WZONZLPQSA-N 472.505 2.491 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc(O)cc2F)[C@@H]1c1cccnc1 1814189936 KZJLUOKNWZDDNB-VBKZILBWSA-N 488.566 2.106 10 20 JECD O=C(C[C@@H]1CNc2ccccc2O1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816725869 NAAVJNGCYGQPAA-UONOGXRCSA-N 481.534 2.438 10 20 JECD COc1cnc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)c(F)c1 1817844005 MUCCWACUUUCCTQ-OAHLLOKOSA-N 456.434 2.378 10 20 JECD Cc1ccn(C)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1820361935 QYKKNCWCWHAXNM-CQSZACIVSA-N 460.585 2.223 10 20 JECD CC(=O)N[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc(F)cc1 1822455923 LDHOFJGCMOIZIY-QRWLVFNGSA-N 499.524 2.192 10 20 JECD CC(C)c1nc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)no1 1827423951 LHXFNMJYGCCLMG-QGZVFWFLSA-N 457.531 2.475 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cncc3cnccc13)CC2 1828246539 AIDFPPXBNMGFGT-GFCCVEGCSA-N 498.615 2.172 10 20 JECD Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)n1 1832898199 FQFKHROULHTNRD-GOSISDBHSA-N 460.625 2.484 10 20 JECD Cc1cccc(CCC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)n1 1834985903 OTZWAOGXGZIIMG-UHFFFAOYSA-N 467.570 2.014 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)ccc1O 1838668092 HQAYCYXTKCKDIS-UHFFFAOYSA-N 491.635 2.173 10 20 JECD CCN(C)[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838720192 DHXBGJQSMTZJBH-DBWMJRBXSA-N 475.586 2.155 10 20 JECD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccccc1 1840881836 QJFJGQOWGWGYSB-WZZGFMSNSA-N 482.533 2.077 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)C(C)(C)F)C2 1844251811 YTSHLUQKKHQRFI-MRXNPFEDSA-N 479.549 2.485 10 20 JECD CC(C)COC(=O)N1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 726103898 WNJGPOXFNXANBO-FQEVSTJZSA-N 459.591 2.398 10 20 JECD COc1ccc(N2CCN(C(=O)Cn3nnc(-c4cccc(C(=O)OC(C)C)c4)n3)CC2)cc1 727364273 LVAWUZNSJFJRQM-UHFFFAOYSA-N 464.526 2.263 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 748464426 CXHOXVADLJJVAB-UHFFFAOYSA-N 465.598 2.404 10 20 JECD C[C@H](OC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)C(=O)N1CCNC1=O 913364220 XLGRPEIEVICKSQ-XNFYSYIQSA-N 498.380 2.134 10 20 JECD COC(=O)CNC(=O)Cc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 916624717 NITJOAUOAIJSNO-UHFFFAOYSA-N 456.568 2.393 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC(C(=O)NCC(F)(F)F)CC3)cc2F)C[C@@H](C)O1 917008004 KPSOVEXVEDWFRT-HZPDHXFCSA-N 488.526 2.446 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3cc(C(=O)O)ccc3Cl)cc2)C1 917930351 QVKNZDZPMNGRFP-OAHLLOKOSA-N 451.932 2.218 10 20 JECD O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc(N2CCOCC2)c(F)c1 918203150 VKPVOXXYXRDAEM-UHFFFAOYSA-N 461.538 2.106 10 20 JECD CCNC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918285659 ARBBXKHDJZCUKC-CALCHBBNSA-N 486.544 2.209 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(CN2CCCC2=O)cc1 918442764 NPXCKZVMDYPSGS-UHFFFAOYSA-N 464.566 2.273 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cnc2[nH]ncc2c1 1778937482 HLCSJIJDWQHLIY-WZONZLPQSA-N 485.928 2.464 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)C2)cc1 1781755258 JERNCQVFPVMAFO-IZZNHLLZSA-N 483.565 2.153 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1784462225 HTLBZQKRMBTHOU-DPYYHXFJSA-N 473.533 2.108 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)C[C@@H]1OCCc3ccccc31)CCO2 1785503232 DKRZZSJTKLKZKF-XNBDYFIGSA-N 494.544 2.351 10 20 JECD CCc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1785657696 WOLZHYRZXWLUJD-WFYCYFGZSA-N 467.522 2.068 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3cccc(O)n3)cc2)CCC1 1787389275 YEFOVOHUOCENOR-UHFFFAOYSA-N 456.549 2.395 10 20 JECD O=C(Cc1c(F)ccc(F)c1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1793646002 HEULULVSZRDVGN-ICIIRRFMSA-N 492.450 2.066 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Cl)cccc1Cl)C2)c1cc(O)nc(O)c1 1796139611 JJZDBAOCZUGPEZ-KSPBDQMDSA-N 452.294 2.317 10 20 JECD CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)c2ccccc12 1796948517 XQISUZUPKOPCOX-XHNJZIHCSA-N 476.533 2.229 10 20 JECD CN1CCC(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)CC1 1802576104 ZVGBLLJAVRYVAG-PIHJRKLSSA-N 480.565 2.259 10 20 JECD CCCc1onc(C)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804333889 XMGIBGCVZGOPTF-BTTYYORXSA-N 450.586 2.048 10 20 JECD O=C(COCc1ccccc1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1806874056 OCCYWDIMSWDDSJ-YADARESESA-N 462.506 2.424 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cccnc2Cl)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993853 OJKSIWSKJIBADH-HRAATJIYSA-N 467.913 2.499 10 20 JECD C[C@]1(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)CCCN1 1808075103 GCHBNFUOWCIRNX-FPDDQMOCSA-N 474.565 2.022 10 20 JECD Cc1nc(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)cs1 1808699204 DZTOGVXGNHPHSY-UHFFFAOYSA-N 452.627 2.157 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccc2c1OCC2 1809002781 RYAWMCAARBOJNG-VGSWGCGISA-N 460.490 2.456 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1c[nH]c2ncccc12 1809116658 LFQHRVGIIJENCY-BTYIYWSLSA-N 458.478 2.398 10 20 JECD Cc1nccn1CC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1812404690 PIVMHPFYTVYMQC-CJFMBICVSA-N 485.548 2.085 10 20 JECD Nc1ncc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)s1 1814161728 BKRADKLHDLELTJ-ZIPBJVRUSA-N 481.534 2.270 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1817329375 RGUBRLISFNYRBL-CJNGLKHVSA-N 487.611 2.158 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cnccc1F 1817736694 OKZVEAGOKWYOFW-AWEZNQCLSA-N 462.532 2.110 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCS(=O)(=O)c2ccccc2)[nH]n1)c1cc(O)nc(O)c1 1817844755 KBYNQOLLQNBFPK-GOSISDBHSA-N 499.549 2.386 10 20 JECD O=C(Nc1cccnc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1820052713 XBESYWCYOGSENA-NSHDSACASA-N 487.925 2.467 10 20 JECD COc1nc(C)ccc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1820805067 IXPXHQWFOSYDFF-LBPRGKRZSA-N 455.496 2.201 10 20 JECD COCCn1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)n1 1823475059 JYIQOXCDYGUDCA-JHTBKMLMSA-N 496.524 2.389 10 20 JECD O=C(c1cc(O)no1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876780 NCMYSVXAOPSPCW-BIENSFFJSA-N 457.483 2.444 10 20 JECD CC(=O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896392 GMNKQFSTKQRBRA-INIZCTEOSA-N 453.630 2.082 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)c(F)c1)CCO2 1839299430 CRWNNDFZHFUDTF-OAQYLSRUSA-N 499.417 2.035 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c(C)c1 1840881313 OWGMUSMCXMTEBB-OZJHFHSKSA-N 482.533 2.204 10 20 JECD O=C(c1ccnn1-c1ccccc1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441667 PKFNUGVPHSHMAG-UHFFFAOYSA-N 468.517 2.482 10 20 JECD Cn1ncc2c(C(=O)N3CCCC34CN(C(=O)c3cc(O)nc(O)c3)C4)cc(Br)cc21 1844749757 KSVOTNDEFDHCIT-UHFFFAOYSA-N 486.326 2.273 10 20 JECD O=C(Nc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)cc1)c1ccco1 1847054817 SGAOVSUWESZNJL-UHFFFAOYSA-N 498.586 2.209 10 20 JECD Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 726292062 RKEOMBRKFFTXDO-UHFFFAOYSA-N 482.606 2.276 10 20 JECD COCCNC(=O)c1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1Cl 726727581 IUDAMFVPWYEDOY-UHFFFAOYSA-N 488.972 2.449 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)cc2F)C[C@@H](C)O1 727038162 WAWLJRYJXSILHS-HZPDHXFCSA-N 452.490 2.275 10 20 JECD COc1ccc(C(=O)CNC(=O)CCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 751371328 YPSRPEWJUTZNGB-SFHVURJKSA-N 453.539 2.488 10 20 JECD O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 754540256 CVDRXIOKFUKEGD-UHFFFAOYSA-N 466.471 2.328 10 20 JECD C/C=C/C=C\C(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 825191916 NKXFCZBSIZLPRU-NQZXCYFJSA-N 460.533 2.408 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CN3CCN(C(=O)N(C)C)CC3)c2C)c1 915217292 VMLKNXFANQWFRJ-UHFFFAOYSA-N 484.553 2.149 10 20 JECD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2)C[C@H](C)O1 917708898 LRWSDESBCNRQMP-ROUUACIJSA-N 491.585 2.390 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1 917762839 UZCGSQAWFBZTJL-UHFFFAOYSA-N 453.586 2.355 10 20 JECD CSc1nnnn1-c1cccc(NC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 918286261 GFMZYESDLMZMOQ-HUUCEWRRSA-N 499.572 2.392 10 20 JECD O=C(COC(=O)c1ccnc(-n2cncn2)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 920261501 IQCJFORDKCIHBV-UHFFFAOYSA-N 453.414 2.233 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cc2sccc2[nH]1 1779143325 YRUMUKPVZRJYNE-VGOFRKELSA-N 456.524 2.477 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3c(F)cccc3F)C2)C1 1780493560 AKGBNZKQYLLJJO-DEOSSOPVSA-N 468.460 2.201 10 20 JECD O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1786548595 LYLHMCIHXPNCJN-WBAXXEDZSA-N 479.455 2.348 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(Cl)nc3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242100 CKRBQNICSSGFQV-NKFCBESUSA-N 467.309 2.102 10 20 JECD Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1C(F)(F)F 1794572771 JIESSYCJSNIZFJ-RBVVOMGSSA-N 488.470 2.484 10 20 JECD Cc1onc(-c2ccncn2)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796934452 GHBMWBDDWANHNN-GGPHIMKMSA-N 499.531 2.485 10 20 JECD Cn1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)c1=O 1803835985 SHSGVXRHNOFUQM-MGPUTAFESA-N 482.924 2.478 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cc2cc(F)ccc2[nH]1 1804333775 XFQJVVWIGIQFRG-QDMKHBRRSA-N 460.556 2.419 10 20 JECD CO[C@H](C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccc1 1806795431 YLSBDVIZPZCQNQ-COPCDDAFSA-N 498.630 2.335 10 20 JECD CO/C=C(\C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1810147667 PSJYYHOPEZWIGK-JLXQOGMLSA-N 453.495 2.468 10 20 JECD COc1ccc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)nn1 1811211528 UCLTUOLZHBPEGA-HFQCPDOSSA-N 491.504 2.030 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848709 YFSLCYJAUPJNDP-DYVFJYSZSA-N 452.471 2.384 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)sc2C1)c1cc(O)nc(O)c1 1821451811 RUASJFIQOCRGSZ-JTQLQIEISA-N 499.461 2.126 10 20 JECD COc1ncc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cc1F 1825503338 JRQXLJKMIWGGRO-KRWDZBQOSA-N 494.614 2.323 10 20 JECD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)n1cccn1 1828200385 PMWCNICIXLBQBV-MXCDDWKTSA-N 469.523 2.343 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(Cl)nc1)CC2 1828242110 GOMOCELXLRVQAU-SNVBAGLBSA-N 482.012 2.278 10 20 JECD O=C(C1CCC(CO)CC1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896277 BDDAGPSUZHVMMM-KVZIAJEVSA-N 481.684 2.265 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H]2F)C1 1841792391 ITAZNJIFFRPQLK-IXDOHACOSA-N 477.533 2.095 10 20 JECD CC(C)(C)OC(=O)N1CCc2cc(C(=O)N3CC4(CCCN4C(=O)c4cc(O)nc(O)c4)C3)cnc21 1843249528 UIVVDZDCFKHDCP-UHFFFAOYSA-N 495.536 2.316 10 20 JECD O=C1CSc2cc(C(=O)N3CCCC34CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)ccc2N1 1843319194 ZHBQVADZIAJLJA-UHFFFAOYSA-N 489.557 2.341 10 20 JECD O=C(c1c[nH]c2ncc(C(F)(F)F)cc12)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056753 XCQGNJDJMQTQDN-UHFFFAOYSA-N 497.524 2.259 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 105103426 SLEZSSNNEIWDSL-IBGZPJMESA-N 491.585 2.494 10 20 JECD O=C(CN1CCN(C(=O)c2c(F)cccc2F)CC1)NCc1ccc(N2CCOCC2)c(F)c1 727832023 QEBXFTBXNLFPLF-UHFFFAOYSA-N 476.499 2.015 10 20 JECD COC(=O)CN1CCN(c2ccc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2)CC1 729044466 UQOXQZWBRZRILQ-UHFFFAOYSA-N 499.587 2.404 10 20 JECD Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)sc2n1 729762729 SVAKSBYHVISTET-CYBMUJFWSA-N 476.580 2.047 10 20 JECD Cc1cc(C(=O)COC(=O)c2cnn(C)c2C2CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 747250890 BZCVPRFIFUAAMP-UHFFFAOYSA-N 456.524 2.392 10 20 JECD CCCNC(=O)Nc1ccc(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 751347003 VFHCTMKRCGRWHG-UHFFFAOYSA-N 458.584 2.312 10 20 JECD O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918340901 XORMUAXRYWHWBK-UHFFFAOYSA-N 472.563 2.362 10 20 JECD C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 919045800 KVQSLGXWEOYDTH-QGZVFWFLSA-N 467.497 2.337 10 20 JECD Cn1c(=O)n(CCC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c2ccccc21 919699717 YPYJNKNESOGRKO-UHFFFAOYSA-N 489.555 2.302 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c(F)cncc1F)C2)C1=NN(c2ccccc2)C(=O)C1 1778127923 RHLGYLUDABWFLU-CJFMBICVSA-N 497.502 2.280 10 20 JECD CCCNC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781119290 FNGIWYNXPOECQH-WZONZLPQSA-N 481.977 2.185 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3ccoc3c1)C2 1783246001 MBPGVGAXTLCARQ-WZONZLPQSA-N 487.603 2.421 10 20 JECD Cc1ccc(OCC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785509495 QOWSPKUSRNCIQI-DSCGJTOLSA-N 468.506 2.034 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCSC3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245639 VJCPDELJSBKDNW-ATZCPQFDSA-N 454.976 2.488 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)Nc2ccccc2)CC1 1793404115 IICOMISEHSRLQL-CWPLJXCYSA-N 499.951 2.373 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796935555 SWMGKKMCEOAYLZ-BZNRXQDOSA-N 487.560 2.236 10 20 JECD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c(OC)c1 1799768856 CAEYOSLNFJFPRZ-VTEUUUEMSA-N 476.913 2.285 10 20 JECD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cc1F 1799770441 WOCLJGSIQXSUPC-USGNIVHTSA-N 478.904 2.345 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1noc3ccccc13)C2)c1cc(O)c(O)c(Cl)c1 1799770731 BBYLSIDVDGOROI-GFENJXEQSA-N 471.897 2.338 10 20 JECD COc1nccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1F 1807717905 QAYGKBUCLFNAJA-XOBRGWDASA-N 467.457 2.064 10 20 JECD Cn1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)c1=O 1811796868 MMCYXCIEJKAEEA-QRWLVFNGSA-N 482.924 2.478 10 20 JECD CN1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162451 SESYXRJELHCPOU-AOPCHSIOSA-N 466.538 2.012 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)C2=COCC2)[C@@H]1c1cccnc1 1814166006 MZMSIYKWRSIINE-NWWLCNQNSA-N 451.479 2.222 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@@H]2CCCSC2)[C@H]1c1cccnc1 1814190897 DEBCSRKKKBMZGZ-FCEWJHQRSA-N 478.665 2.091 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C1(Br)CC1)CC2)c1cc(O)nc(O)c1 1816727128 FVZCLRHMOCTUPI-SECBINFHSA-N 453.318 2.103 10 20 JECD CC[S@](=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146855 JCNNKQXFSYKMQK-WAUFSOIDSA-N 484.582 2.353 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821291741 CEWGXTAZIMHMKJ-ABAIWWIYSA-N 461.906 2.471 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CNC(N)=O)CC3)cc1 1823439642 WIIAXLDYUWJROE-MRXNPFEDSA-N 466.567 2.445 10 20 JECD Cc1onc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1C 1824753622 PMTNRQDLUMFFDE-INIZCTEOSA-N 464.613 2.385 10 20 JECD Cc1nc(C)c(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)s1 1828239900 JZGBAYALCYDEEJ-JTQLQIEISA-N 481.650 2.303 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1c(F)cccc1F)CC2 1828247243 QZPNYDMUUCQRKY-JTQLQIEISA-N 496.586 2.436 10 20 JECD O=C(O)CSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1831884347 QZXKNCJTKZIKJB-HXUWFJFHSA-N 486.594 2.217 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1839434106 NNKIYCCUUVVWIL-HSZRJFAPSA-N 486.912 2.011 10 20 JECD Cc1ccc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(-n2nccn2)c1 1844760290 OGMGNZLRVNJRAR-UHFFFAOYSA-N 483.532 2.186 10 20 JECD Cc1nnnn1-c1cc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1F 727948510 VSQDJOBVHIBDOE-UHFFFAOYSA-N 489.458 2.435 10 20 JECD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(N(C)C)c(F)c2)o1 746805317 QXYRKXUUJKKXHT-QGZVFWFLSA-N 467.519 2.131 10 20 JECD Cc1nc2cc(O)nn2c(C)c1CCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 751351298 VLILRWZSDMTJQN-SFHVURJKSA-N 450.543 2.002 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(Cc4cc(C)on4)CC3)CC2)cc1 916197224 XONZBECTMVXWGY-UHFFFAOYSA-N 456.591 2.031 10 20 JECD COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 917871752 WHORXULJVICEQZ-UHFFFAOYSA-N 478.552 2.485 10 20 JECD CCn1c(=O)n(CC(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c2ccccc21 919035259 QMTPCPUEUJYZET-HDICACEKSA-N 498.555 2.435 10 20 JECD CS(=O)(=O)c1ccc(CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919783252 HZWVXEMYEAYZCF-UHFFFAOYSA-N 498.584 2.345 10 20 JECD C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CC2)C1 920869975 WQOVOHUVFNXEPW-BHIFYINESA-N 471.646 2.416 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)cc1 1115884079 GNFDVHCVHZQOLH-QFIPXVFZSA-N 479.625 2.339 10 20 JECD COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1F 1777851820 SNAMMBNZQXTBQT-NTKDMRAZSA-N 473.501 2.011 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4cc(F)c(F)cc4[nH]3)C2)C1 1778401593 LMOPWPMOKMSKAH-JOCHJYFZSA-N 458.421 2.010 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1779618529 STYPZFGYYBNTPN-IBGZPJMESA-N 456.833 2.100 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)cc3)C2)C1 1780705342 SPXFUDGJNKKDES-XMMPIXPASA-N 450.470 2.062 10 20 JECD Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1781655951 IFBKWYFRVSMPRY-BSBODGDASA-N 456.470 2.408 10 20 JECD CCc1[nH]nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1F 1783220337 XXJSTQGHWZSUOI-RYCBHYIOSA-N 488.516 2.069 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c3c(Cl)cccc13)CCO2 1785546306 CIOQJVYOQCLVIY-OAQYLSRUSA-N 493.010 2.125 10 20 JECD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)n1cccc1C=O 1786996801 MSCDZLDBLDFMMZ-CXIBIASBSA-N 475.929 2.220 10 20 JECD CCc1nc2ccc(Cl)cn2c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787291271 UEXUQBAALFYGSE-OWQGQXMQSA-N 499.955 2.263 10 20 JECD COc1cscc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1787716392 GIMPGYYRPSRLHS-KNBMTAEXSA-N 482.562 2.143 10 20 JECD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1791237163 CUQVEYRWYXRJRV-NRJZREQNSA-N 492.956 2.100 10 20 JECD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1C 1793793827 AEZSSZMXEZDGFL-VSVJTWGKSA-N 474.561 2.228 10 20 JECD Cc1c(Br)cc(F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796139883 UXOOEFXAKKZGSV-DBWKPXFBSA-N 494.317 2.220 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nc(CO)[nH]c2c1)C1=NN(c2ccccc2)C(=O)C1 1797387697 WTBHLFUPHCISBI-GGPHIMKMSA-N 486.532 2.100 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)n1ccnc1 1803313097 NMQGZCORRRVUAY-HSKJXNFDSA-N 477.521 2.375 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccsc1 1805429521 WEPYCUZGZLIKCK-KSSFIOAISA-N 460.606 2.323 10 20 JECD O=C(CCN1CCCCC1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1806653321 XPVNMNUGLHDFRN-JPYJTQIMSA-N 453.543 2.083 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)COc2ccc(F)cc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807990220 GUZWSWCYAVNSKB-HJPURHCSSA-N 466.469 2.426 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1cc2n(n1)CCC2 1809981454 MBWBBCQZZWNFFP-CLOONOSVSA-N 497.559 2.337 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1[nH]cc2c1CCC2 1811291687 BACAEFDTSYTTSI-IERDGZPVSA-N 483.619 2.078 10 20 JECD C[C@H](Cn1cncn1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811806298 JYRLRMQVVDILJL-AKCHCHLHSA-N 484.944 2.394 10 20 JECD CN1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162454 SESYXRJELHCPOU-UPQDFHHCSA-N 466.538 2.012 10 20 JECD COc1ccccc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814190394 ZEAVZSXMHUYJHN-KKSFZXQISA-N 484.603 2.270 10 20 JECD Cc1noc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC3)n1 1815565698 GNRIKXMJKNPSED-SNVBAGLBSA-N 463.903 2.368 10 20 JECD CCc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)n[nH]1 1815895374 JZLDMCVOMBUGOB-AWEZNQCLSA-N 477.550 2.447 10 20 JECD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728135 KKIPUEYAXKTVOI-ZDUSSCGKSA-N 487.469 2.465 10 20 JECD Nc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)s1 1817362926 YQWISXFPROSYNJ-LLVKDONJSA-N 481.563 2.201 10 20 JECD C[C@H](Cn1cccn1)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364013 MIOZVBCNJXQZFG-CVEARBPZSA-N 491.577 2.381 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1csnn1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817364538 VJDZIDPVMWOMOE-NSHDSACASA-N 467.536 2.013 10 20 JECD Cn1cccc1C(=O)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817366774 GFTYQPBJOFJOBD-AWEZNQCLSA-N 490.545 2.069 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@H]2CCOC2)[nH]n1 1823501459 QUDGLLUNTJUQMF-ZFWWWQNUSA-N 465.601 2.079 10 20 JECD CCOC(=O)N1CCC(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)CC1 1828023943 YDVGPSBEWBLLIA-CQSZACIVSA-N 489.554 2.044 10 20 JECD Cc1nc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)no1 1832877066 SVUOXINMKJUKKM-JHTBKMLMSA-N 470.526 2.370 10 20 JECD Cc1n[nH]c(C)c1CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900071 CDXICAAPBZVHNV-SFHVURJKSA-N 477.656 2.049 10 20 JECD O=C([C@H]1CCC=CO1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902767 UOHMXJJRANJODI-IAGOWNOFSA-N 451.614 2.159 10 20 JECD Cc1c(F)ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1N 1835872971 IBSFLJWCPYAEHO-HSZRJFAPSA-N 493.919 2.165 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)C1=COCCC1 1836562274 RUYZYTNEHCUUON-GQCTYLIASA-N 471.554 2.083 10 20 JECD COc1ncc(Cl)cc1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1840991681 HQZHJJXSHQRJIV-UHFFFAOYSA-N 467.913 2.354 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1ccno1)C2 1843330916 SUDCLHWGQFRPKF-GOSISDBHSA-N 469.542 2.210 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441121 NVNFHFNWHMJRLK-QGZVFWFLSA-N 483.569 2.144 10 20 JECD CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O 9945624 NBWDCNSGKFTVIQ-XMMPIXPASA-N 469.494 2.327 10 20 JECD O=C(CCc1nc(-c2ncccn2)no1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 727707573 BXEKCLUKAQHEKF-UHFFFAOYSA-N 489.515 2.031 10 20 JECD COc1ccc(N2CCN(CCCNc3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)cc1 746990484 WQYFKFMIEPVWCA-UHFFFAOYSA-N 459.616 2.499 10 20 JECD O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1 747148267 TZHWMRPDVCRZQN-SIJTWYJSSA-N 470.576 2.292 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)cc2F)C[C@@H](C)O1 918204900 CECUNYAAGHFKAA-HDICACEKSA-N 497.571 2.011 10 20 JECD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 919841093 YEJPEERRYROFDN-UHFFFAOYSA-N 477.608 2.348 10 20 JECD COc1cccc(C[C@@H](C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n2nnnc2C)c1 920882072 MAWFQRASSIBERL-HXOBKFHXSA-N 450.543 2.488 10 20 JECD COc1cccc(/C=C/C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1 1777850630 KYIFWAIOKSAOBC-QLMCZUKDSA-N 467.522 2.342 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cc1F 1783730837 ATZRMZVPQMUCRO-OUFAJUJOSA-N 486.496 2.258 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)[C@H]1C[C@H]1c1ccc(F)cc1 1783884268 KPPGNWXAKKOQFO-HVRBKMHZSA-N 455.486 2.029 10 20 JECD C[C@@H](Cc1ccco1)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1784588605 VUPBXKZKDCDRCG-YZPPATINSA-N 456.495 2.118 10 20 JECD CC(C)n1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)n1 1790244143 PWPUVLQVJUJFJL-RFUYNDQBSA-N 462.934 2.436 10 20 JECD C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1790947020 ZVCCYZHBNBGUCG-MWYJAUPDSA-N 490.560 2.227 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)s3)C[C@@H]21 1792217727 KNBQVIOLFGFTMN-MIHQMOSUSA-N 462.499 2.311 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4ccccc4O3)C[C@@H]21 1792218033 NQGOREAAKZMPCS-GDZMFZFSSA-N 494.544 2.190 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)cn1)C2)c1cc(O)c(O)c(Cl)c1 1799769306 GIXXEUKSYMCHHX-DPIQGUFMSA-N 452.294 2.317 10 20 JECD COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c1F 1799770064 DRRIFDIRRCJEDA-DBWKPXFBSA-N 464.877 2.416 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1Cc3ccccc3C1)C2 1802082556 RWYLTJBNYFHBQT-TUGWXJGJSA-N 478.545 2.211 10 20 JECD Cc1nc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)co1 1805690463 GWRMUAYEMXWZOP-WZONZLPQSA-N 472.505 2.491 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2snnc2C2CC2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994813 BZLREOOKZSYWOK-LIRRHRJNSA-N 466.523 2.250 10 20 JECD Cc1nccc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n1 1808467700 JLTDGCUWYRKGRF-NTKDMRAZSA-N 483.532 2.293 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)c3cc(=O)cco3)C2)CC1 1808877502 LNLUVMAGLPXPRV-HWKANZROSA-N 454.479 2.315 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCn2ccnn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810047 QWDGYSXRSZKJQX-MGPUTAFESA-N 470.917 2.148 10 20 JECD C/C(=C/C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)C(=O)O 1814098726 FRJYRVDCZDINAT-NYXQEMPVSA-N 459.886 2.497 10 20 JECD O=C(CN1CCCC1)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1814487004 RFHROKDFBBPNRS-LKUPDRCFSA-N 455.515 2.328 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1csnn1 1815368211 QQPLGCMSSNKMDL-HZRUHFOJSA-N 456.484 2.397 10 20 JECD COc1ccccc1CC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728219 BCTRTIIHEZLJEF-AWEZNQCLSA-N 454.508 2.426 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCOC1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817366777 GFTZZRRAAMTTHQ-GJZGRUSLSA-N 467.551 2.275 10 20 JECD O=C(CCc1ccc[nH]1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1817532055 ZXADNONZUWTNGG-HNNXBMFYSA-N 460.585 2.223 10 20 JECD CCCC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146847 IXXFVIVQAUGZBD-OXQOHEQNSA-N 493.568 2.500 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cc4ncccc4[nH]3)sc2C1 1823913762 YXAWXEIWHWFXAL-SNVBAGLBSA-N 486.604 2.106 10 20 JECD COc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1 1827620009 GIQCGWIULVUBNG-SNVBAGLBSA-N 494.595 2.377 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)N1C[C@H]2C[C@@H]2C1 1828199572 YXOUODHZGACRRZ-ZVLRESRHSA-N 484.578 2.226 10 20 JECD CC(C)N(C)CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828199915 GTBHQWDOVVCCOA-VZUFXWRPSA-N 460.556 2.226 10 20 JECD Cc1cc(/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)no1 1828994897 MZSZKLHUEMLIRV-QWNKOJSDSA-N 476.624 2.476 10 20 JECD O=C(C1=CCCS1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896942 UQEFCHFLXGOBMD-OAHLLOKOSA-N 453.655 2.487 10 20 JECD Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)c1F 1833157293 OWPPBWVMRZZMNL-UHFFFAOYSA-N 492.642 2.180 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1ncccn1 1834233782 ZCOIQYKZYMXAGA-UHFFFAOYSA-N 459.934 2.040 10 20 JECD CCSc1cccnc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988685 DQAKEPUXBCQPMK-UHFFFAOYSA-N 485.610 2.499 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc4cncn4c3)CC2)CC1 1838029758 IFIFFSVOEXIYGU-UHFFFAOYSA-N 465.510 2.067 10 20 JECD O=C(Cc1cccc(F)c1F)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432967 BWOXRLGXHSRKPW-HSZRJFAPSA-N 496.894 2.342 10 20 JECD O=C(c1ccc(Br)cn1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441635 JUDHXHMQXKNFRG-UHFFFAOYSA-N 482.338 2.454 10 20 JECD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1847060469 RDXLJCFZNCCGQW-CQSZACIVSA-N 457.914 2.387 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)cc1 24187419 LVKPRWSHYIHYOQ-UHFFFAOYSA-N 462.616 2.384 10 20 JECD COc1ccc(OC)c(-n2nnnc2SCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 726432579 OMZXQSHOEDEHNE-UHFFFAOYSA-N 488.545 2.064 10 20 JECD CNS(=O)(=O)c1cc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1C 726727101 UCCXBGKXXUUXEA-UHFFFAOYSA-N 496.536 2.228 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 731183251 QZPOGYYICKTPDQ-OAQYLSRUSA-N 455.580 2.090 10 20 JECD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754546996 CHYFEYCUKSRKGF-UHFFFAOYSA-N 465.465 2.472 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)C3CCCCC3)cc2F)C[C@@H](C)O1 918870444 FPZXGDXCTOJGOI-IAGOWNOFSA-N 463.550 2.295 10 20 JECD C[C@H](NC(=O)C1CCCC1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919701258 RQBFRLSHRJENDS-KRWDZBQOSA-N 454.550 2.253 10 20 JECD NS(=O)(=O)c1c(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cccc1[N+](=O)[O-] 919723257 GRJVEJGNVDMARL-UHFFFAOYSA-N 487.517 2.110 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CCN(c4ccc(Cl)cc4)C3=O)nc12 920551292 CILUOEGQHBXQNN-HNNXBMFYSA-N 458.858 2.361 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccccc1F)C2)c1cc(O)nc(O)c1 1777851125 BDNVKRRSBHORRM-NTKDMRAZSA-N 457.502 2.392 10 20 JECD O=C1Nc2ccccc2/C1=C/C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1778909035 TYSCNVVDDNKQBD-RBNQUJQMSA-N 483.908 2.230 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3onc4ccccc34)C2)C1 1782344737 ACZHYWDSYDSFHY-VWLOTQADSA-N 473.489 2.064 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1nccc2occc12 1787180178 QIZTVROVYDEKPR-BPXKWBHBSA-N 487.516 2.214 10 20 JECD Cc1cccc2[nH]c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)cc12 1787291770 FKLZFMDWEBWQKW-VHFSOBRXSA-N 450.495 2.190 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCc3ccncc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537245 IDWGDYNXNTVNBS-SSPYTLHUSA-N 489.576 2.177 10 20 JECD Cn1cnc(C(=O)NC2(c3ccc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)cc3)CCC2)n1 1788671552 XJQOBLMLVMNLOB-UHFFFAOYSA-N 457.494 2.356 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCn4ccnn4)C[C@@H]32)cc1 1790125898 XEBXIELHYCEPEF-XWGVYQGASA-N 476.581 2.369 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ncccn2)cc1 1794191258 KCMRSYVCBMYAIQ-GQEURGSBSA-N 459.550 2.330 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc3c1CCCO3)C2)C1=NN(c2ccccc2)C(=O)C1 1796479407 FRCKUVKSZKDJEK-MFKICJERSA-N 494.573 2.069 10 20 JECD Cc1ccsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796480831 WFSFEKRIQYAEBV-CWPLJXCYSA-N 452.536 2.053 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc(F)s1 1804738966 MOVNIUUYHOZLJC-ACJLOTCBSA-N 478.596 2.462 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc3c2OCCO3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996525 UNSNGJLQRQYACU-KSFYIVLOSA-N 476.489 2.292 10 20 JECD O=C1Cc2cc(C(=O)N3CCC4(CCCN(C(=O)c5cc(O)nc(O)c5)C4)CC3)ccc2N1 1810551419 KOFRAPORAPKHLT-UHFFFAOYSA-N 450.495 2.146 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3c[nH]nc3c1)CC2)c1cc(O)nc(O)c1 1816725819 PULWNVCJHMSYRW-CYBMUJFWSA-N 450.480 2.365 10 20 JECD Cc1cnn(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)c1 1817649200 DQDIEBCUCFDNMO-JKNJVXJCSA-N 466.498 2.437 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848578 QUFVFNHUBQYMKB-KBXCAEBGSA-N 478.509 2.340 10 20 JECD Cc1cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)n[nH]1 1819496617 MTUSAKSRUQZRTN-HXUWFJFHSA-N 474.525 2.469 10 20 JECD CC(=O)N[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc(F)cc1 1822458764 LDHOFJGCMOIZIY-FOIQADDNSA-N 499.524 2.192 10 20 JECD Cn1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)c1=O 1823476403 BWYIUKAGYSAUTL-VMSUTVGLSA-N 479.493 2.245 10 20 JECD Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)n(C(F)F)n1 1823499853 ARTAUOOQEYRWBI-LBPRGKRZSA-N 497.553 2.476 10 20 JECD CN1CCN(CCC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)CC1 1823708485 BTEAXIZORYQAEC-AWEZNQCLSA-N 494.017 2.071 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1823794914 UFSAWHFAMBVDDF-ILUDYIOVSA-N 473.570 2.351 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc4cccnc4nc3O)sc2C1)c1cc(O)nc(O)c1 1823985061 MZGMVUNKSLNYEN-LBPRGKRZSA-N 478.490 2.138 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)CC1 1829716509 HXFSTMGLDAXNAV-QGZVFWFLSA-N 460.918 2.382 10 20 JECD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1834774863 GTWPVXFUWITJRO-ZPIZUECNSA-N 495.576 2.283 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CCC(N4CCC(NC(=O)c5cc(O)nc(O)c5)CC4)CC3)c2c1 1834987025 AVXKAXVBGARJPS-UHFFFAOYSA-N 493.564 2.482 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccccc31)CCO2 1840260992 JBEVVZPNRHMXFL-ASBBRDEUSA-N 494.544 2.003 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1Cc3ccccc3C1)CCO2 1840944070 LVXDWRYUFJCKRZ-RUZDIDTESA-N 486.952 2.236 10 20 JECD COc1ccccc1C(=O)N1CC(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)C1 1841248752 KDUGKFVGAZQPBH-UHFFFAOYSA-N 499.951 2.349 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CC4(CCCN4C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)c2n1 1843442454 LGWHPWLPSMAEFL-UHFFFAOYSA-N 472.505 2.181 10 20 JECD CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1844831985 QLZANQCMNFIJCQ-UHFFFAOYSA-N 494.595 2.304 10 20 JECD COC(=O)c1ccc2cc(C(=O)N3CC4(CCCN4C(=O)CN4C(=O)CSC4=S)C3)ccc2c1 1847055152 IKSMRCYZHZVNLF-UHFFFAOYSA-N 497.598 2.304 10 20 JECD C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1847985333 HFMCWHRMZLWTEB-BGTYHANMSA-N 474.558 2.201 10 20 JECD COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)OC)c3)cs2)c1 727247935 VPYHWXXTRWAUDT-UHFFFAOYSA-N 479.492 2.299 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCC(C)(C)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 914532670 RGMLKNXBDNHCQB-SFTDATJTSA-N 461.651 2.394 10 20 JECD C[C@@H]1CN(c2ccc(CNc3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)cc2F)C[C@@H](C)O1 917087317 YCOBCHMWUBFJQA-QZTJIDSGSA-N 477.606 2.383 10 20 JECD COCCNC(=O)c1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1Cl 918311343 QAFRNFQHTRDDBT-UHFFFAOYSA-N 488.972 2.150 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc4nc(O)[nH]c4c3)cc2F)C[C@H](C)O1 919087191 KYXVKOKCTFEMGL-KBPBESRZSA-N 456.474 2.494 10 20 JECD Cc1c[nH]cc1C(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 920580368 PENFQCSGQCQMGJ-REZTVBANSA-N 473.532 2.226 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CC3(CC(=O)N4CCOCC4)CCCC3)CC2)cc1 1317765003 NAOSFUWVNNXVHV-UHFFFAOYSA-N 487.597 2.086 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(F)cn1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126373 UDPUPYKAYDCNNP-PXDATVDWSA-N 479.512 2.141 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1csnn1)C2)c1cc(O)c(O)c(Cl)c1 1781119764 ZHKKZCWLZKRENR-DNVCBOLYSA-N 452.920 2.044 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2C)CCO3)cc1 1781754056 IHQAEMSSRRTRHJ-NVQXNPDNSA-N 464.566 2.158 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008106 VSNDLSWPKDVELW-PEBXRYMYSA-N 461.902 2.057 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3cnn4c3OCCC4)cc2)CCC1 1790875912 DYIIEEHWURWFFI-UHFFFAOYSA-N 485.591 2.274 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)CCc3cnc[nH]3)CCC2)cc1 1792313922 KIJMLJFLRZBEIG-UHFFFAOYSA-N 457.581 2.337 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)[C@H](F)C1 1793421341 PZACENNSBFMWEA-CWQOZTLDSA-N 492.548 2.340 10 20 JECD Cc1ncc(Br)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1794621796 XCYVDANAEQNQMG-BTTYYORXSA-N 497.440 2.265 10 20 JECD O=C(Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1795258241 RNOQKTYERXWVPI-JMJLSGOLSA-N 472.925 2.302 10 20 JECD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2 1796030028 BPJMOBYYMMSTAQ-JYYAWHABSA-N 496.992 2.245 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn(-c2ccccc2)n1 1797007717 IGPFMIZYDKPCBI-YPGIMCOVSA-N 475.505 2.349 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1ccc(=O)oc1 1806116867 HSVFKYWHYRUIMX-UUOWRZLLSA-N 485.500 2.147 10 20 JECD Cc1cc(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)cnc1C 1807377364 IIOVGJIKSDWOFL-UHFFFAOYSA-N 460.625 2.404 10 20 JECD CN1CCC[C@H](C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)C1 1808470372 WIWBXWYAVAHJLV-WATLYSKOSA-N 488.592 2.222 10 20 JECD O=C(NC[C@H]1CCN(C(=O)COc2cccnn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811811086 ZRQSLKFMWZFNFW-QVKFZJNVSA-N 483.912 2.335 10 20 JECD O=C(CCc1ncc[nH]1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813276942 CZYWWVXKIOLYOB-MFHKZMAWSA-N 477.521 2.274 10 20 JECD CN1CCC(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)CC1 1814162965 ZZCYGOJUINEEKK-LPUSUZEYSA-N 480.565 2.259 10 20 JECD O=C(/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)NCc1ccccc1 1817843621 UCMLETCXOVRDKW-YXBWYFRISA-N 490.520 2.394 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cnn(-c3cccnc3)c2)[nH]n1)c1cc(O)nc(O)c1 1817844204 SYBWZTDJIMCSKP-SFHVURJKSA-N 474.481 2.416 10 20 JECD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccccn1 1822903105 FQJQYFMGUAPRSZ-BBRMVZONSA-N 472.596 2.461 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCC3)CC2 1828199451 TXPOAKJQGFFVIT-FLUIGGAXSA-N 481.534 2.342 10 20 JECD O=C(c1ccnnc1O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876258 GPAGKDYBVVXBNF-FZMUQLTDSA-N 468.510 2.246 10 20 JECD CO[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccccc1 1834988153 PTPBNYPJQNJTKW-HSZRJFAPSA-N 468.554 2.066 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc(CO)c(F)c3)CC2)CC1 1838032461 ZISDNPAXFAAOHR-UHFFFAOYSA-N 473.501 2.050 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3onc4ccccc34)C2)C1 1839433338 RQYLLCBHERMUQH-HSZRJFAPSA-N 487.896 2.276 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3ncccc13)CCO2 1839542846 GSFANKCPCWFJNU-DEOSSOPVSA-N 498.923 2.078 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1845572228 CLCFKAJZWVJCSA-VMPITWQZSA-N 475.505 2.223 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)c2C)cc1F 16162629 WRVGWBZFCXMUAK-UHFFFAOYSA-N 495.511 2.105 10 20 JECD O=C(COC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 109130570 SKVGAURPAQQBNF-UHFFFAOYSA-N 497.463 2.416 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCC(C2OCCO2)CC1 726707497 BVEPYWWDAQQKLB-UHFFFAOYSA-N 470.549 2.237 10 20 JECD CCCS(=O)(=O)Nc1ccc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 728025185 ZJWAVDOOJVIOQZ-UHFFFAOYSA-N 460.600 2.399 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 728945631 CMVGUFRIJVRWJZ-MAUKXSAKSA-N 463.556 2.419 10 20 JECD CC[C@H](OC)C(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 744643704 ZAQAOGDINHSANB-QFIPXVFZSA-N 478.567 2.266 10 20 JECD C[C@H](OC(=O)Cn1c(=O)nc(O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 809011910 KOARJJUQUSFQBQ-AWEZNQCLSA-N 497.463 2.448 10 20 JECD Cn1cc(S(=O)(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc1C(=O)O 914564616 VHPHWYCCXFLMTJ-LBPRGKRZSA-N 467.569 2.373 10 20 JECD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 917707547 NABOYXSJSOKUOZ-DEOSSOPVSA-N 454.502 2.054 10 20 JECD COCCOc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1 918288899 XGSWXIBVTCUZPL-HZPDHXFCSA-N 460.506 2.114 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(C(=O)N4CCOCC4)CC3)cc2F)C[C@@H](C)O1 918780777 QQTSNBAILOCHGD-QZTJIDSGSA-N 462.566 2.220 10 20 JECD C[C@@H](NC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)c1ccc(N2CCOCC2)cc1 920869674 VHKOFBPHRPXJDN-NHCUHLMSSA-N 457.619 2.312 10 20 JECD C[C@H](NC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccc(N2CCOCC2)cc1 920920557 IIBYQANGTLSJON-SFHVURJKSA-N 466.538 2.481 10 20 JECD O=C1Cc2cccc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)c2N1 1782008952 LOSFPUGLFATKKY-QHCPKHFHSA-N 471.897 2.003 10 20 JECD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccccn1 1782637032 HEAOGZRHHQRAJR-AVHWCYKHSA-N 489.576 2.492 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1scnc1C1CC1)C2 1783245378 UTJNFGXKNABEAZ-SPLOXXLWSA-N 494.664 2.008 10 20 JECD Cc1ccc2c(/C=C/C(=O)N3CCO[C@@]4(CCN(C(=O)CN5C(=O)CSC5=S)C4)C3)c[nH]c2c1 1785547148 ZDUJHKKVYYYFJY-ISTCRNMPSA-N 498.630 2.180 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cccc2cccnc12 1796812540 GPCWSCKSNXSKBY-NHKMSHSESA-N 483.528 2.231 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccc2cnccc12 1797474715 WWFALFSPWFOUSN-PGTXOHQNSA-N 475.501 2.268 10 20 JECD Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1798210493 PHBMFSPDUYESIG-MFKICJERSA-N 497.939 2.064 10 20 JECD C[C@@H](Nc1nccs1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804286694 YQIUUVZHXNXMSB-YPOVHQQRSA-N 458.540 2.412 10 20 JECD O=C(CCc1ccc(F)c(F)c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804334176 GXYZAXHDQDMHGT-QDMKHBRRSA-N 467.563 2.396 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1806404268 DLNPMBWLFPFADU-KRWDZBQOSA-N 474.558 2.347 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccc2[nH]ncc12 1808031890 PZDDFNDSPUQHDT-NYHFZMIOSA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc(=O)n2O)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811797974 JOBJTYXZGHJFSU-XOBRGWDASA-N 484.896 2.179 10 20 JECD CN1CCCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162485 SRJBUHSLZXKQAG-JJQMRZQHSA-N 480.565 2.402 10 20 JECD Nc1ccccc1/C=C/C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1815110731 CZRYCFPLNROXOX-OQHXTRMZSA-N 487.632 2.211 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccnc(F)c1 1815424722 KOCLKSKPAHPFJO-ZDUSSCGKSA-N 462.532 2.110 10 20 JECD CC(C)O[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1819511964 OCLGTSITVUHMSY-JSGCOSHPSA-N 453.590 2.076 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1822579699 UUYFUNVHPOGSNW-LBPRGKRZSA-N 477.543 2.088 10 20 JECD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)n1cccc1 1822679330 MEEJBCLZRWWSLI-ZFWWWQNUSA-N 460.585 2.325 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@H]1CCCS1 1823017288 BWQLTQOASVOKDQ-QWHCGFSZSA-N 453.615 2.158 10 20 JECD O=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1827717318 ANGSMSVIHPNDOK-JOCHJYFZSA-N 450.539 2.378 10 20 JECD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)n1ccnc1 1828195510 OZKWLNFDXQFRTO-QDKLYSGJSA-N 469.523 2.343 10 20 JECD O=C(CC(F)(F)F)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1834598978 GJHOTSJGVYFNKB-DUXPYHPUSA-N 471.476 2.341 10 20 JECD O=C(Cc1cc(F)cc(F)c1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1834866304 HOGVSLCZMPXQAI-UHFFFAOYSA-N 474.508 2.199 10 20 JECD CC(=O)Nc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)ccc1C 1834987367 MEJSYBKVTDJHEJ-UHFFFAOYSA-N 495.580 2.259 10 20 JECD COc1ccc(F)cc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988489 YDRHPSVZCKJKRM-UHFFFAOYSA-N 472.517 2.140 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)C2)C1 1836418193 GANSMCVRBBRYLL-LOJFUVEFSA-N 473.570 2.169 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1noc3c1CCCC3)CCO2 1836429772 RHXYXLJUPLMSLO-HSZRJFAPSA-N 491.928 2.002 10 20 JECD COc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c(OC)c1 1838030227 GHBVEUQZOGMCOX-UHFFFAOYSA-N 485.537 2.436 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3noc4c3CCCC4)CC2)CC1 1838031623 WYBFODLKERSTRE-UHFFFAOYSA-N 470.526 2.286 10 20 JECD Cn1ccc(C(=O)N2CCCC23CN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C3)c1 1842345417 AYSCINBPZVLWSU-IBGZPJMESA-N 498.580 2.389 10 20 JECD O=C(CCc1cnccc1C(F)(F)F)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843248884 DWRLAIOZFRZILH-UHFFFAOYSA-N 450.417 2.356 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)[C@@H](O)c1ccco1)C2 1843330973 WSNWTYQGEDVXPT-CTNGQTDRSA-N 498.580 2.235 10 20 JECD C[C@@H]1CN(C(=O)COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C[C@@H](C)O1 10926398 LRFSFTPPZOYMNG-CHWSQXEVSA-N 452.419 2.163 10 20 JECD CCN(CC)CC(=O)N1CCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])CC1 728908497 IAFCFXFESDUMPY-UHFFFAOYSA-N 474.312 2.265 10 20 JECD CCN(C1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1)S(C)(=O)=O 731360283 ZJXIFIGVTYSEBU-UHFFFAOYSA-N 492.564 2.498 10 20 JECD Cc1cc(C(=O)COC(=O)C[C@@H]2CCCO2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 915563647 XJYPZCDUOOEQNE-FQEVSTJZSA-N 490.578 2.410 10 20 JECD NS(=O)(=O)c1cccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 916624098 NNEQSKQTVGZNFU-UHFFFAOYSA-N 472.489 2.189 10 20 JECD C[C@H](OC(=O)[C@@]12CCC(=O)N1CCS2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 918006954 PQHKTTRXUSNALY-RZFZLAGVSA-N 464.499 2.398 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(Cn4cccnc4=O)c3)cc2F)C[C@H](C)O1 918288164 UIRXLNWGCXZLPY-ROUUACIJSA-N 493.539 2.299 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(CN4CCCC4=O)cc3)CC2)cc1 918462128 RVVFSJNCEVBKED-UHFFFAOYSA-N 450.539 2.495 10 20 JECD Cc1oc2ncn(C)c(=O)c2c1C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 919018000 RLGUVSARLGNQRH-OKILXGFUSA-N 486.500 2.061 10 20 JECD COC(=O)Cc1csc(NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)n1 919772534 ZDTLSLBPRAADSR-UHFFFAOYSA-N 485.545 2.436 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)Nc1c(F)cccc1F 919799625 GZPDDZSWTFWJCK-UHFFFAOYSA-N 470.455 2.475 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cc2c(nc1O)CCCC2=O 919854950 BAJAWFPRZBQUSR-UHFFFAOYSA-N 476.512 2.492 10 20 JECD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)c2C)c1 920608567 UECQMNLDVCFJSM-UHFFFAOYSA-N 462.506 2.331 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127300 IOOSGJNKQUCKSN-QHWMMSMNSA-N 495.624 2.166 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)c21 1779977602 WAZYHADISFHXCG-HSZRJFAPSA-N 486.912 2.101 10 20 JECD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(O)c1 1780552623 HNYJNYSHVIAAHP-JOCHJYFZSA-N 462.886 2.223 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc31)CCO2 1785510505 NEIVFJZDBNFWFG-SDVNCEFNSA-N 464.518 2.377 10 20 JECD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)ccc1C 1789622947 WRIGYVMEQZUNLF-TZWPEZGDSA-N 482.533 2.427 10 20 JECD CC(=O)c1cc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n[nH]1 1805256805 VGJAZZAGQSSWNE-UUOWRZLLSA-N 499.531 2.120 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)nn1C(F)F 1811514532 GWWVQRHFZQWEPR-LIRRHRJNSA-N 472.452 2.421 10 20 JECD NC(=O)c1ncccc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811797671 HGRNFWSGZMSEPJ-VBKZILBWSA-N 495.923 2.274 10 20 JECD Cc1noc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)n1 1811803328 HZEWWDSRDUOGQO-JLTOFOAXSA-N 471.901 2.400 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811806734 RBELSRSWEXEHDT-ORAYPTAESA-N 497.895 2.268 10 20 JECD CO[C@H](C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccc1 1814186808 XMKSABOBBLLRBL-NYVOZVTQSA-N 498.630 2.335 10 20 JECD COc1ccsc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814189197 BWAMUDVWKQIAPH-KBXCAEBGSA-N 490.632 2.332 10 20 JECD CCOc1cnc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cn1 1816133350 PIDCQPNUYGPWEQ-HNNXBMFYSA-N 453.459 2.024 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C1CCN(c3ccccn3)CC1)CC2)c1cc(O)nc(O)c1 1816727125 FQEMDLBDHWFJKF-MRXNPFEDSA-N 494.577 2.487 10 20 JECD C[C@H](Nc1ccccn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1820210252 QYHDEAIBRWLIFU-WCQYABFASA-N 454.512 2.071 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822277508 ZQGGVEKZRFRYCX-IUODEOHRSA-N 474.518 2.435 10 20 JECD COC(=O)CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822490672 WZAXBAICRMKDTB-HNNXBMFYSA-N 495.627 2.386 10 20 JECD CC(C)c1nc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)no1 1823496522 JDSRBPOXNDZTFF-ZDUSSCGKSA-N 491.599 2.011 10 20 JECD Cc1cnn([C@@H](C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c1 1823500971 KWJRRDMJWYOYMJ-ZFWWWQNUSA-N 475.600 2.028 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)C23CC(F)(C2)C3)CC1 1824583982 YGZVGARPNWJECD-VUZGARFFSA-N 453.605 2.359 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cscn2)CC1 1825990279 AJIZCCUZJDKPNK-OAHLLOKOSA-N 452.627 2.237 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3nncn3c1)CC2 1828198420 CKBNVCGVZNQGGQ-SMDADKPZSA-N 492.517 2.242 10 20 JECD O=C(CCN1C(=O)C=CC1=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830734733 CSUDXLOJLNKPHT-SFHVURJKSA-N 489.956 2.300 10 20 JECD CCS(=O)(=O)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830736900 FYBGGWJPSRYEIJ-KRWDZBQOSA-N 472.991 2.419 10 20 JECD Cc1ccn(C)c1C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835134050 YJGMMSUYDIGDCE-UHFFFAOYSA-N 490.608 2.312 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4ncccc34)C2)C1 1839433090 KOQYWEKGCPWDCX-DEOSSOPVSA-N 498.923 2.078 10 20 JECD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)ccc1F 1840683101 VPLACRHQAMMNBW-HSZRJFAPSA-N 494.903 2.283 10 20 JECD Cc1nc(Br)sc1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1843599159 MKEPNLQYGKLKJB-UHFFFAOYSA-N 453.318 2.151 10 20 JECD COCCN(C(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 23237485 BZPVTCZTRCPKPP-UXHICEINSA-N 493.651 2.483 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 104979881 UMRWRKMNXLDBRO-UHFFFAOYSA-N 488.591 2.180 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 106014614 NBSLAHXMTHAJKT-BGYRXZFFSA-N 460.600 2.206 10 20 JECD CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)nc2)CC1 726195967 YXOGCSOCWMEPMF-UHFFFAOYSA-N 491.570 2.468 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)cc1C(=O)O 728015841 XQIKMWOCYUCMKU-UHFFFAOYSA-N 493.313 2.018 10 20 JECD CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NCc3ccc(N4CCOCC4)cc3)c2)CC1 728393815 QCZDZTVMVQOJMJ-UHFFFAOYSA-N 487.626 2.171 10 20 JECD COc1ccc(O)c([C@H](C)NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 728793389 RIKGJXQIRFOOGP-AWEZNQCLSA-N 451.570 2.469 10 20 JECD COc1cccc(CNC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1O 729858817 CSQIWYRAWCFDEH-UHFFFAOYSA-N 464.540 2.327 10 20 JECD CN1CCCc2cc(CNC(=O)C(=O)N3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)ccc21 747017944 ULIKCMLQAGMRME-XMMPIXPASA-N 476.577 2.492 10 20 JECD CC(C)C(=O)NC1CCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 915645672 DLKMBJCJFWDUAM-UHFFFAOYSA-N 490.538 2.478 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCCN3CCN(c4ccccc4)CC3)cc2)C1 918117353 KLSFCNWKBUTQIX-HSZRJFAPSA-N 478.641 2.400 10 20 JECD CCN(Cc1ccccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(C)=O 918308017 CDBAUPMUWYNOMR-UHFFFAOYSA-N 452.555 2.489 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 918309053 TXCWXWCRNQUWDJ-UHFFFAOYSA-N 495.001 2.024 10 20 JECD O=C(COC(=O)c1ccc(Cn2cccn2)cc1)NCc1ccc(N2CCOCC2)c(F)c1 918927255 HKXLLCCZQXEMKS-UHFFFAOYSA-N 452.486 2.380 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cc(S(=O)(=O)NC(C)(C)C)ccc3C)nc12 918962081 BSDLZCQGWMMPNO-UHFFFAOYSA-N 490.538 2.354 10 20 JECD O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 919970764 XOSAOARRZBDOPI-UHFFFAOYSA-N 469.966 2.425 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)C1 1780763484 RTFWYCMVYJZPIU-IBGZPJMESA-N 487.525 2.009 10 20 JECD Cc1noc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)n1 1781753766 MBSYVVCUNLKIIK-RUZDIDTESA-N 463.538 2.472 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@@H]1C[C@]1(F)Cl 1782289194 XTOCSTVLASPUGE-GYVGSTJSSA-N 476.936 2.218 10 20 JECD CC(=O)c1ccc(OCCCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)cc1 1784204821 YMXDTTXJEIPQOF-NYVOZVTQSA-N 497.548 2.148 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)Cc1ccccc1F)CCO2 1785509650 ZOGXNGWMRRONSO-YFTVHVBSSA-N 456.470 2.028 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cc(F)cc(F)c1)CCO2 1785510066 LUIZXQADFJQXIV-ZGVNINRLSA-N 460.433 2.239 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)c(Cl)c1OC 1787292455 RNKFSOVRZIFKIX-NUTKFTJISA-N 491.928 2.071 10 20 JECD Cc1ccc(C)c(OCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c1 1794067335 SJFMGOPOZBCXHX-BJWYYQGGSA-N 461.609 2.181 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1[C@@H]2Sc3ccccc3[C@H]21 1798456761 HCXFRHOBUZBCAL-KEPFCHILSA-N 473.645 2.373 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccoc3c1)C2)c1cc(O)c(O)c(Cl)c1 1799768530 XJTMBUZWORSALF-HBCWATKFSA-N 457.870 2.409 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)n2ccnn2)cc1 1800269187 QJTQENZRHZJRJL-DXKRWKNPSA-N 462.554 2.150 10 20 JECD COc1ccc(F)cc1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1801101013 VVIIGDFDDIMHKR-USGNIVHTSA-N 478.904 2.345 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccc(F)c3s1)C2 1802104055 NFTGVZWQGCNQRQ-IVWMJMPLSA-N 493.607 2.104 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)n1ccnc1 1803313106 NMQGZCORRRVUAY-PLDLLUEISA-N 477.521 2.375 10 20 JECD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)[nH]1 1803818201 NKQZWQOTCVCOTC-PQGDUDRBSA-N 463.494 2.263 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)N(C)C(=O)OC(C)(C)C 1808001895 ZHUCMQCJKDNBTP-LDBYXDLTSA-N 499.568 2.463 10 20 JECD COC(=O)[C@H]1CCC[C@H](C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)C1 1810550633 PCZMJGIPSWVNCZ-IRXDYDNUSA-N 459.543 2.317 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)[C@@H]1[C@H]2COC[C@H]21 1813659362 KJFWNUIMTXJERQ-QBSBYYDBSA-N 457.914 2.358 10 20 JECD Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c(C)n1 1814190048 POSASJOLGMJTNR-LAUBAEHRSA-N 483.619 2.273 10 20 JECD O=C(CN1CCCC1)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1814482223 KDCPEQOQYKHQJL-HXUWFJFHSA-N 463.542 2.291 10 20 JECD Cn1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c2cccnc21 1816726223 RWTMXCDOCCLEQW-LBPRGKRZSA-N 464.507 2.376 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cncc4cnccc34)sc2C1 1821218047 NPJPFRLZPWMFPP-GFCCVEGCSA-N 498.615 2.172 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2)n1cccn1 1826867891 LPXPGIYENGLIAP-MXCDDWKTSA-N 469.523 2.343 10 20 JECD CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1828899227 ABKATJCLWWXZOA-QTOANSKZSA-N 495.532 2.289 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)ccc2O)CC1 1830764038 GDAPOAVRAHNVSS-KRWDZBQOSA-N 477.608 2.191 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832875476 NIYNCAKFHNFJHQ-BJIJGURPSA-N 473.570 2.351 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899193 BDHBJYWKWSDJTO-MOPGFXCFSA-N 480.700 2.339 10 20 JECD O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899308 CIZCZQIUBYYAQO-BDXSIMOUSA-N 465.641 2.034 10 20 JECD COc1ccccc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988729 JRRUSPKKTWVDEF-UHFFFAOYSA-N 454.527 2.000 10 20 JECD N[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cccc(Cl)c1 1837879151 QNEMDGBPODATJZ-JOCHJYFZSA-N 488.972 2.458 10 20 JECD O=C(CCCCn1cccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433495 JWWCGYBHRWPQHM-DEOSSOPVSA-N 491.972 2.493 10 20 JECD O=C(N[C@H]1CCC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)OCc1ccccc1 1843250393 SYSDPTSVFXKVSF-PMACEKPBSA-N 494.548 2.405 10 20 JECD Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cc1[N+](=O)[O-] 1843442315 KEGPPWTXAFUCNK-UHFFFAOYSA-N 475.505 2.442 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)c2cnoc2)C1 1843473800 QEKSOGFPEWYJND-KRWDZBQOSA-N 486.525 2.039 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=S)NCCc3ccc4c(c3)OCCO4)cc2)C1 726749395 OGAHGZODVOFJDX-IBGZPJMESA-N 454.596 2.366 10 20 JECD CN1CCC(N(C)CCN(C)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 729600519 RZHGRARYNUCBSI-UHFFFAOYSA-N 498.651 2.110 10 20 JECD O=C(COC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)NCc1ccc(N2CCOCC2)c(F)c1 731271465 RISYNNHJXRBVAA-NRFANRHFSA-N 483.540 2.374 10 20 JECD COc1ccc(N2CCN(C(=O)CN(C)CCCOc3cccc(S(C)(=O)=O)c3)CC2)cc1 747088469 IHYJFDOXWORPHE-UHFFFAOYSA-N 475.611 2.148 10 20 JECD O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)NCc1ccc(N2CCC(CO)CC2)cc1 748460182 LUUPRCLCDWVXNN-UHFFFAOYSA-N 479.625 2.433 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3nc(C)n(-c4ccc(F)cc4)n3)CC2)cc1 756746230 UUPNIIPBMSXMMF-UHFFFAOYSA-N 453.474 2.229 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(C(=O)NCC(F)(F)F)CC3)cc2F)C[C@H](C)O1 917008003 KPSOVEXVEDWFRT-HOTGVXAUSA-N 488.526 2.446 10 20 JECD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918138656 OYPZQLLNOGOPAJ-AWEZNQCLSA-N 455.939 2.299 10 20 JECD C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)C[C@@H](C)O1 918288042 SJKPLQFRHHGFCT-QZTJIDSGSA-N 498.555 2.167 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CCCCN3C(=O)c3ccccc3)nc12 918786262 DXLAEUFXCYGZAY-GOSISDBHSA-N 452.467 2.350 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cccc(S(=O)(=O)NC4CCCC4)c3)nc12 919066624 NTRBYXQJCYZZSA-UHFFFAOYSA-N 488.522 2.190 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@@H]1CC(=O)N(C2CCCC2)C1 919697600 CIFGJOBHTJAOCZ-LJQANCHMSA-N 466.561 2.350 10 20 JECD O=C(COC(=O)c1ccnc(-n2cncn2)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 920262664 ZUMKYGQUHDQZGW-UHFFFAOYSA-N 453.414 2.233 10 20 JECD COc1ccc(CN(C)C(=O)[C@H](C)OC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1F 920635536 HLWRJGJIWLWSPG-LBPRGKRZSA-N 454.476 2.115 10 20 JECD CSc1nnnn1-c1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 920923998 ZRZWFTXDINTEFR-HNNXBMFYSA-N 467.555 2.037 10 20 JECD C[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1)Oc1ccccc1 1777850545 HVMJUUVMTZPURC-WVFSIPRWSA-N 469.538 2.478 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCCO1)C2)c1cc(O)c(O)c(Cl)c1 1781119543 NAZFSIHFFIEVLD-NJNPRVFISA-N 452.935 2.448 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1782002353 HIUKHQPEMPQHHH-FQEVSTJZSA-N 468.293 2.263 10 20 JECD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)cc(C)c1O 1782908142 UZDBYQJIDBOAES-HOYKHHGWSA-N 455.511 2.257 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1coc(Cl)n1)C2 1783220085 QDGDAINAKHDXFD-MAOUNKGHSA-N 477.901 2.286 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@H]1COc2ccccc2O1 1785040714 MJPIKQFFLPKSLX-LUNSWOAPSA-N 488.924 2.185 10 20 JECD COc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1C 1791890595 OSQMQWVYONGETA-BFPXBCCMSA-N 482.533 2.427 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cccc2c1CCCC2 1791996642 LNXOLGGOSWTHJV-NDXORKPFSA-N 451.523 2.279 10 20 JECD CC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2)C(C)(C)C 1793385419 YRMNHYCHSKTCNX-VUSMYOQLSA-N 459.543 2.006 10 20 JECD O=C(CCCn1c(O)nc2ccccc21)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796604855 RNJUFENSKXKBKT-BJWYYQGGSA-N 465.510 2.280 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1n[nH]c2c1CCCC2 1796931666 ASCPTVUFYYAONM-VBUUOAMHSA-N 460.538 2.333 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)[C@@H]1CC=CCC1 1803035492 GFUFREHDJVMWGF-MDYRTPRTSA-N 458.609 2.304 10 20 JECD CCc1noc(C)c1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807995537 RADQBYWHDYDJKO-QVKFZJNVSA-N 451.483 2.380 10 20 JECD O=C(Cc1ccc2c(c1)OCO2)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1809350990 YQLSLWJENPXPIM-UHFFFAOYSA-N 453.495 2.309 10 20 JECD O=C(O)CSCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811808413 AKQXCJPPFPIPFE-DJJJIMSYSA-N 479.942 2.284 10 20 JECD CC(C)NCCC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362257 JHRTZZXWIXJYRN-OAHLLOKOSA-N 468.583 2.236 10 20 JECD CC(=O)Nc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)ccn1 1818417465 IXZXOGUMAZFLRM-INIZCTEOSA-N 465.470 2.189 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1818886203 JODAXKDWBAXJEE-WOPDTQHZSA-N 452.627 2.352 10 20 JECD CC(C)n1nccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823500260 YSLNNLZRCKFMDG-AWEZNQCLSA-N 475.600 2.353 10 20 JECD CCOC(=O)N1CCC(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)CC1 1828023942 YDVGPSBEWBLLIA-AWEZNQCLSA-N 489.554 2.044 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CNc3ccccc31)CC2 1828242886 UQUKNZCDTWNCNS-AAEUAGOBSA-N 487.632 2.125 10 20 JECD CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1828763409 QRBHWQKCUWTOCE-LPHOPBHVSA-N 483.949 2.049 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)CCn2ccnn2)CC1 1832245479 PDIMOIAIAYDODU-JOCHJYFZSA-N 477.569 2.081 10 20 JECD O=C(CC(F)(F)C(=O)O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1835073103 YBHSCWBJOCBMIE-UHFFFAOYSA-N 489.903 2.046 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccc(-c3cccnc3)cc2)C1 1845278812 IDIBQQWWZCWOTE-UHFFFAOYSA-N 466.588 2.426 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)CCc2c[nH]c3ncccc23)C1 1847028026 DRADUPDWSPMAKW-UHFFFAOYSA-N 470.533 2.492 10 20 JECD CN(CCN1CCOCC1)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 727106703 SAVFBUOSODBOAA-FOWTUZBSSA-N 484.441 2.441 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3ccc(S(=O)(=O)N(C)C(C)C)cc3)CC2)cc1 742920585 KAEDKNRJCFETQF-UHFFFAOYSA-N 474.627 2.276 10 20 JECD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1)c2[N+](=O)[O-] 822747877 WTNLQIDPKJLUQH-ZDUSSCGKSA-N 454.460 2.162 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H]2CSCCS2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 899043208 VUMVODXHMLPMSD-SFHVURJKSA-N 454.595 2.316 10 20 JECD CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NC(=O)c1ccc(NC(=O)C2=S=CC=C2)cc1 916188429 ZFKSEJRPQJDVAZ-UHFFFAOYSA-N 487.559 2.379 10 20 JECD Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 918443716 YAFXUGHFHOUEJA-UHFFFAOYSA-N 466.582 2.295 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)Nc1cccnc1N1CCOCC1 919777332 IZRKBPYOGQUGKX-UHFFFAOYSA-N 492.559 2.496 10 20 JECD CCOC(=O)N(C)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 919794275 NDWIJEDICYMVKP-SFHVURJKSA-N 481.553 2.236 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 920871361 YEUFGVMFIFNTPO-HNNXBMFYSA-N 462.524 2.136 10 20 JECD COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)NC1CC1 920888283 MRIRZJQLWQOHGZ-MRXNPFEDSA-N 459.568 2.464 10 20 JECD Cc1cc(C)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)c1 1780408874 MBXGDVLVCLWQIX-WZONZLPQSA-N 475.636 2.291 10 20 JECD C[C@H](Cc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1784212950 OTYMJESPGXHMEL-NFQMXDRXSA-N 474.561 2.488 10 20 JECD O=C(/C=C/c1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1795284089 WOZPJCDYWGJNRK-RSJZDZDDSA-N 450.491 2.120 10 20 JECD Cc1cccc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796481241 WHESAAZMJYNGRG-NHKMSHSESA-N 460.534 2.300 10 20 JECD C[C@H]1[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)CCN1C(=O)OC(C)(C)C 1796605602 UMLKFIGFFDNVCZ-JFMONLCZSA-N 474.558 2.390 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Br)ccn2n1)c1cc(O)nc(O)c1 1798248955 OAOKHKBUUTUHDO-QDMKHBRRSA-N 486.326 2.469 10 20 JECD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800513703 PYMZZINNQNGTOH-ZVXPMLRVSA-N 468.554 2.410 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cccc(O)n1 1805678224 LDYVMBPAWARDMV-PAAJWNESSA-N 476.489 2.332 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1O 1807998264 CCUVSIHLKHAFLY-GAJHUEQPSA-N 491.504 2.185 10 20 JECD Cc1nnc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)o1 1811803989 PYWVTBLHUZSOTD-JLTOFOAXSA-N 471.901 2.400 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc2cccnc2nc1O 1812111425 PJQCYHVDGJEBAR-IERDGZPVSA-N 486.488 2.170 10 20 JECD N[C@H](C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccccn1 1814163075 XTCKZOUPHNNRPL-ISVXONDLSA-N 489.532 2.013 10 20 JECD CC(=O)NCC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817363486 GZGCURHCSYURIM-HNNXBMFYSA-N 496.593 2.010 10 20 JECD Cn1c(=O)n(C)c2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)ccc21 1818647818 AVPIYAGMEHIFKC-MRXNPFEDSA-N 491.508 2.026 10 20 JECD CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821294301 BMZWIMPVCOSYGY-CABCVRRESA-N 461.906 2.401 10 20 JECD O=C(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)Nc1ccc(F)cc1 1822417297 WSZVWPHBZFDTBA-CQSZACIVSA-N 485.497 2.343 10 20 JECD O=C(O)CSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1822426762 GDCKDNGEOSTLSH-KRWDZBQOSA-N 484.538 2.013 10 20 JECD COC(=O)c1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)cc1 1826368259 UFAQADKQELYBKV-HNNXBMFYSA-N 482.518 2.204 10 20 JECD O=C(CSc1ncccn1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827426518 YHDQLSQXBCNHJV-KRWDZBQOSA-N 457.556 2.308 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714812 IEGHXCAHCDTOOB-JTHBVZDNSA-N 481.597 2.314 10 20 JECD CCOc1ncccc1C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828243326 QBJYTTJWFJVINR-NSHDSACASA-N 491.620 2.023 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)nc3sccn23)CC1 1829561565 OMXNMWLHIVGPJJ-INIZCTEOSA-N 483.550 2.109 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc3ncnn3c2)CC1 1830157250 RLAGMWSUSURCQJ-IBGZPJMESA-N 464.526 2.012 10 20 JECD CC[C@@H](NC(N)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830737174 KSEMLDFPQDQTCK-IAGOWNOFSA-N 466.966 2.431 10 20 JECD CNc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834693438 XYLNBJOXUPDUFJ-UHFFFAOYSA-N 453.543 2.034 10 20 JECD COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834985934 REAUSEUEEHQNTN-GOTSBHOMSA-N 494.592 2.490 10 20 JECD Cn1c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)ccc1C(F)(F)F 1834987053 TZIQMLAUKVRYRT-UHFFFAOYSA-N 495.502 2.349 10 20 JECD Cn1c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc2ccccc21 1834987501 LOZFQRGKEBPTAT-UHFFFAOYSA-N 477.565 2.484 10 20 JECD Nc1ncc(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)s1 1837900664 KDEUYOXUHRDEBY-UHFFFAOYSA-N 496.593 2.130 10 20 JECD O=C(c1ccnc2ncccc12)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442163 BGXLOSAUQMJJIY-UHFFFAOYSA-N 454.490 2.240 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cccc3c2OCCO3)C1 1843722660 HZTGUJJOSZJSLK-SOFGYWHQSA-N 452.463 2.105 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)C3=COCCO3)c2C)c1 11444956 JFAVOTDWJMVFFZ-UHFFFAOYSA-N 457.435 2.281 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3nn(-c4ccccc4)c(C)cc3=O)CC2)cc1 24089111 RINFPONXLGHEES-UHFFFAOYSA-N 461.566 2.492 10 20 JECD Cc1cc(CN2CCN(CC(=O)c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)CC2)no1 105018575 MDMOTFJYECOFDR-UHFFFAOYSA-N 471.583 2.038 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)cc2F)C[C@@H](C)O1 726382209 XEBLOZDDCYCYGP-HZPDHXFCSA-N 477.558 2.064 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc4c(c3)NC(=O)CN4)cc2F)C[C@H](C)O1 727524033 REMZXABGDXVMSI-GJZGRUSLSA-N 470.501 2.277 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 728945633 CMVGUFRIJVRWJZ-YJBOKZPZSA-N 463.556 2.419 10 20 JECD O=C1N=C(N2CCOCC2)S/C1=C\c1cccc(/C=C2/SC(N3CCOCC3)=NC2=O)c1 747145059 MOVSWAPILGVPNF-SIJTWYJSSA-N 470.576 2.292 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)CC2)cc1 769671781 MEMZSIIFVLKBEI-UHFFFAOYSA-N 468.478 2.197 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 914438363 QLMOEQVJIXPCOB-UHFFFAOYSA-N 460.600 2.136 10 20 JECD COc1cccc([C@@H](CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)N(C)C)c1 918118203 PEEQQQZZWFPWES-NFBKMPQASA-N 453.587 2.499 10 20 JECD CC(C)NS(=O)(=O)c1cccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 918213348 QJXDCWNIGUZXPI-UHFFFAOYSA-N 478.590 2.473 10 20 JECD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 918745562 HGNBJOZWQINRMI-RHSMWYFYSA-N 464.613 2.125 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CN3C(=O)[C@H](C)Oc4ccccc43)cc2F)C[C@@H](C)O1 919048668 LXSIXTIFGIGJPM-KSZLIROESA-N 499.539 2.413 10 20 JECD CN(C)CCCNS(=O)(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 919723078 ZHFRZISNOPFKRN-UHFFFAOYSA-N 477.587 2.274 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCSC1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127512 OFOVEEUWGHEYRB-IOZGHAEBSA-N 484.622 2.436 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccn4nccc4c3)C2)C1 1778734200 HEMWLCQIDXMVGU-JOCHJYFZSA-N 456.886 2.156 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C(F)(F)F)n3)C2)C1 1779511811 VAWJKIQVGCQFMS-HVPBSWBLSA-N 493.438 2.374 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccccn3n1)CCO2 1782005662 TZHALVMOSAAALE-JOCHJYFZSA-N 456.886 2.156 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)CCc1ccsc1)CCO2 1785508699 KCYJMUBCXFHKOK-DLMBFZKISA-N 458.536 2.341 10 20 JECD O=C(CC[C@H]1CNc2ccccc2C1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1786900302 JBFQFJXECDSYDW-NTPMHYTDSA-N 480.565 2.151 10 20 JECD Cn1cc(F)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1787748810 XDDUMCJJCUAHQA-MIUNTBIASA-N 451.882 2.136 10 20 JECD COCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1798418226 FJIHDLLEFLHZIW-RDGPPVDQSA-N 491.585 2.208 10 20 JECD Cc1ccc(OCC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1806675491 RHKAMYIIMXVDRQ-FDDCHVKYSA-N 498.630 2.335 10 20 JECD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n[nH]1 1810423067 WNKPLINGECZGOY-DFBJGRDBSA-N 485.548 2.155 10 20 JECD Cc1nccnc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1811085739 KMVQGSDXHMKCOF-NTKDMRAZSA-N 483.532 2.293 10 20 JECD C[C@@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)O1 1814163865 OIBVQHCUSDMTFA-HOGCLUDVSA-N 467.522 2.485 10 20 JECD Cc1nc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)no1 1815870628 IWYHSDONCKSCSY-SFHVURJKSA-N 476.497 2.129 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccnc3nc2O)[nH]n1)c1cc(O)nc(O)c1 1817847024 HHIRCTCHVYMXKS-INIZCTEOSA-N 475.465 2.484 10 20 JECD Cn1cnc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)c1 1818146409 HEKZDGOHVIHJQL-IBGZPJMESA-N 460.498 2.242 10 20 JECD Cc1cc2nnc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)c(C)n2n1 1827427614 NBCFUNHUOZQFOV-GOSISDBHSA-N 479.541 2.094 10 20 JECD COc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)ccc1F 1834988393 MSDRFDDVPIPRAC-UHFFFAOYSA-N 472.517 2.140 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4ccoc4C3)C2)C1 1839432132 CXZGPUAILFDYNQ-VOIUYBSRSA-N 490.940 2.219 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)Cc2ccccc2C(F)(F)F)C1 1842705282 RYKIBBLMMGJFFF-UHFFFAOYSA-N 471.526 2.312 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cccc(F)c2I)C1 1845410518 WUIZZAIZDFPRJY-UHFFFAOYSA-N 497.264 2.367 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 1847612767 USGGPRFKSUJHAA-RMHZUWNSSA-N 465.547 2.130 10 20 JECD NS(=O)(=O)c1ccc(CN2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1 726628110 YJMPNAXYXDWTNQ-OVCLIPMQSA-N 451.507 2.349 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CCC(=O)N3CCc4sccc4C3)CC2)cc1 742920791 UHCJUXMBOGINRR-UHFFFAOYSA-N 456.612 2.360 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1F 747011724 JGTOZTGIGWDNBQ-QFIPXVFZSA-N 468.529 2.315 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C(=O)N4CCCC4)cc3C)CC2)cc1 748470844 MKUGDESGDSFWHD-UHFFFAOYSA-N 493.608 2.117 10 20 JECD O=C(COC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)Nc1cccc2c1C(=O)c1ccccc1C2=O 914974628 RAIXPCVQSGNMNT-LBPRGKRZSA-N 474.391 2.355 10 20 JECD CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 918284458 HHRPMNSCRGNFAU-POHAHGRESA-N 455.486 2.494 10 20 JECD CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c1 919860335 UUCNYKJUJCQDGQ-UHFFFAOYSA-N 485.606 2.443 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1csc3c1CCCO3)C2)c1cc(O)nc(O)c1 1777848397 SCJPXTXRBMHGJS-UZUQRXQVSA-N 473.551 2.321 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1[nH]cnc1-c1cccnc1)CCO2 1782007601 VBTDEXXGVPITRV-QHCPKHFHSA-N 483.912 2.294 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1782009653 YIEIMZFXSSNLFP-CSKMKTBNSA-N 497.935 2.105 10 20 JECD CC(C)c1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)co1 1785508472 GAQHAOTZMGMWLM-FIYNHDKVSA-N 457.483 2.072 10 20 JECD COc1cccc(/C=C/C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785510233 HTYSTUAGALFBKT-MEEZOJPKSA-N 480.517 2.369 10 20 JECD COc1c(Cl)cccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787294296 JWJVLWGDVQGHMM-NUTKFTJISA-N 461.902 2.062 10 20 JECD CCC[C@H](NC(C)=O)C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792315501 UAZACXXQPQEQOC-KRWDZBQOSA-N 476.624 2.286 10 20 JECD COc1ccc([C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1792826109 HRUOMMDSKASVIY-NRGSMNHXSA-N 490.560 2.181 10 20 JECD C/C(=C\c1ccc(C)o1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1797851412 CCNJWHQEVXNTQD-NJVRCQEVSA-N 468.506 2.411 10 20 JECD O=C(CCCCn1cccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1797882761 DPDZPXHURQYJAW-NXKWYNOOSA-N 477.565 2.041 10 20 JECD CC(C)(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)ccn1 1802081514 ZHJMKKSVGBWHLX-GMNSRVPRSA-N 481.549 2.413 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1OC(F)F)C2 1802082337 FTYITNZUQHREOI-SYSDTLGTSA-N 490.459 2.321 10 20 JECD C[C@H](Cn1cccn1)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1804716773 RHWPGPPUFOJDBU-ZJCBTPCYSA-N 499.575 2.413 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807993187 FOKKNKBEMNEQSH-HZUJVAHNSA-N 499.568 2.368 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n(C(F)F)n1 1807994504 HFIFHQXYSBFMIW-LIRRHRJNSA-N 472.452 2.421 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2nc[nH]c2c1 1809818365 LCNZLZSWRCZAIP-ZHRRBRCNSA-N 458.478 2.398 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC2)C1 1810546631 GRIKYPJZPSNWMU-SFHVURJKSA-N 470.570 2.129 10 20 JECD Cc1nc(F)ccc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1811132639 TYHVZKQHNVJZQU-VFNWGFHPSA-N 451.458 2.364 10 20 JECD Cc1n[nH]cc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1811486937 QXKRJKAHNTTXRB-WZONZLPQSA-N 471.521 2.226 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc2cccnn2c1 1812188316 BGNLMRAFJAGSDO-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n(C)n1 1814163126 ZLZGOIDMWNZFIP-AEVOMHCASA-N 477.521 2.273 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cnn(-c2cccnc2)c1 1816207092 NKQWIAKLNOSRIQ-GOSISDBHSA-N 474.481 2.416 10 20 JECD O=C(CCc1ncc[nH]1)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817366680 AIDJMLMKAFQKKF-AWEZNQCLSA-N 477.550 2.204 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818148033 WGZWROREHCLZTG-OALUTQOASA-N 450.499 2.374 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc2cncn2c1 1819187377 OHBCFQYAZZQNRZ-MRXNPFEDSA-N 483.579 2.224 10 20 JECD CN(C)c1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)c1 1821327582 KSKABGNYADDFCQ-GFCCVEGCSA-N 498.521 2.463 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3ccccn23)[nH]n1 1823498086 MFRILBMFAHCRPQ-AWEZNQCLSA-N 483.579 2.224 10 20 JECD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)ccc1O 1828247516 VQAKRFGRYZICQM-LBPRGKRZSA-N 476.605 2.243 10 20 JECD N[C@@H](Cc1cccnc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877290 CXQRUVOHFCPRGL-CUNKWAAUSA-N 494.592 2.401 10 20 JECD CC(=O)O[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)C(C)C 1832901938 GVFMMDIYWIHIOG-PXNSSMCTSA-N 483.656 2.054 10 20 JECD Cc1noc(N)c1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1834702757 ZQGOSTWCDMGLFE-UHFFFAOYSA-N 477.949 2.129 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)CC1)c1cc(O)nc(O)c1 1834985852 YFTQTEAYRHBVNG-UHFFFAOYSA-N 492.532 2.098 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1ccc(O)cc1 1836301222 DHLGMWRDCIOTGO-XBXARRHUSA-N 481.549 2.408 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)COc3cccnc3)CC2)CC1 1837114776 VCBSNTJZFHQGEP-GQCTYLIASA-N 497.548 2.289 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)c3ccnnc3O)CC2)CC1 1838514156 GYUQPMCCJLNKIC-UHFFFAOYSA-N 476.917 2.173 10 20 JECD O=C([C@H]1CCc2ccccc2[C@H]1O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441147 PGOHICZVNHBBDD-XUZZJYLKSA-N 472.545 2.279 10 20 JECD COc1ccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)cc1OCC1CC1 1845450508 NTIAAKCWTSIQCP-UHFFFAOYSA-N 489.619 2.161 10 20 JECD CC(=O)N[C@H](C(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C)C1CCCC1 12838641 KDSXUWYZPMEESJ-QFIPXVFZSA-N 475.567 2.162 10 20 JECD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 726710850 VFFBMVIJHMFMMJ-UHFFFAOYSA-N 465.602 2.347 10 20 JECD O=C1COc2ccc(NC(=O)C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2N1 726726405 MOQQROSSWAOPCZ-UHFFFAOYSA-N 460.437 2.343 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H](C(C)C)S(=O)(=O)C3CCCCC3)nc12 728648200 RWRYSEVWBYIIEX-SFHVURJKSA-N 467.544 2.427 10 20 JECD Nc1c(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)ccc2c1C(=O)c1ccccc1C2=O 747776347 CJPRHTQJGKNIDP-UHFFFAOYSA-N 493.422 2.234 10 20 JECD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 749701598 KSTXLVGEVCFGEK-QGZVFWFLSA-N 495.623 2.095 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(-n4cnnn4)c3C)CC2)cc1 915317909 WZUOMSHLJSWFCS-UHFFFAOYSA-N 450.547 2.313 10 20 JECD Cc1sc2ncn(CCC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c(=O)c2c1C 917835082 ZCCNQTMAGVEOLM-GOSISDBHSA-N 467.595 2.483 10 20 JECD COCCn1cc(NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cn1 919776367 SPHTVZDFSKSLMU-UHFFFAOYSA-N 454.510 2.107 10 20 JECD Cc1ncccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778126198 LGCPTQZDDRCAQS-ATIYNZHBSA-N 475.549 2.310 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](C)NC=O)C2)cc1 1780724991 HOXCUVUMSBSHJE-VAPDBKPJSA-N 466.582 2.356 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)[C@H](O)c1ccccc1Cl 1782390222 VFFBJPBCHWUQKB-HCLVMJGWSA-N 475.929 2.007 10 20 JECD Cc1ccc(COCC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1C 1785505072 AKZALXNYXBSKIC-PMHUYKBPSA-N 496.560 2.480 10 20 JECD COc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1F 1785511858 WTDCPVVZSIQYKF-HLZSCNFSSA-N 472.469 2.108 10 20 JECD COc1cccc(Cl)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787294638 XAEVSUIVGZKYLS-JDFRZJQESA-N 461.902 2.062 10 20 JECD CCC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)CCC1 1788228063 IPTDKMAGBPKRJG-CUWPLCDZSA-N 452.555 2.339 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@H]1CCc2ccccc2[C@@H]1O 1793038647 YIXUAOTZCYDXFH-HIFDQRORSA-N 486.952 2.250 10 20 JECD COc1cccnc1CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1794301482 JKZSINWSECIBPM-FNLKRUPLSA-N 475.549 2.454 10 20 JECD Cc1nocc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1805820939 CBEIIXARYQRAPR-WZONZLPQSA-N 472.505 2.491 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCc2cncnc2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808466892 BTZFOOCHCNOPHZ-RLWLMLJZSA-N 497.559 2.303 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCc2cnccn2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468966 HHIYJTLYKYKJOO-IBVKSMDESA-N 497.559 2.303 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2ccnn2c1 1812204127 SAQFVLNTYZXRPH-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1814028587 DTLRXDNBXCLFMD-KKSFZXQISA-N 485.541 2.122 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(OC(F)F)cn1)CC2)c1cc(O)nc(O)c1 1816721894 QUDOKQYJWBSHKM-SNVBAGLBSA-N 477.449 2.485 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3ccccc3n1)CC2)c1cc(O)nc(O)c1 1816725920 RZYYLOVUEAUYAP-GFCCVEGCSA-N 462.491 2.432 10 20 JECD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816727430 UPBDQZQCIGITRK-XHDPSFHLSA-N 499.524 2.133 10 20 JECD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)C1 1817843395 LJDUEFPWFKOAGK-XJKCOSOUSA-N 457.487 2.111 10 20 JECD Cc1cn2c(=O)c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)cnc2s1 1817845382 LOKGSQMEDAVMQE-HNNXBMFYSA-N 495.521 2.213 10 20 JECD Cc1noc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)n1 1823475011 IOLACPSZRONDMM-VFADXPBXSA-N 468.470 2.166 10 20 JECD Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cn1 1825297252 VHFZJJYDNWQMIR-LJQANCHMSA-N 474.652 2.413 10 20 JECD CN(C)c1cncc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1 1825430433 SIKQMNJQGKETEC-IBGZPJMESA-N 489.667 2.241 10 20 JECD Cn1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)cccc1=O 1825738738 KUBUNGDAINFNEI-SINXNMPMSA-N 481.549 2.449 10 20 JECD CC(C)c1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)n[nH]1 1828247599 ZSIWWUWAHWFPCT-SNVBAGLBSA-N 478.625 2.076 10 20 JECD CC(C)(C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)c1ccccn1 1828249976 LZWPKHODNXSGTA-LBPRGKRZSA-N 489.648 2.288 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)Cc3c(F)ccc(F)c3F)CC2)CC1)c1cc(O)nc(O)c1 1834985368 BEFAOSVOJDMBDE-UHFFFAOYSA-N 492.498 2.338 10 20 JECD Cc1cc(Br)c(N)cc1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1842855821 DOWCAMZQJIZGTK-UHFFFAOYSA-N 461.316 2.277 10 20 JECD CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251082 TYGILOBZEGHSQP-URLQWDBASA-N 472.542 2.098 10 20 JECD COc1cc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)ccc1[N+](=O)[O-] 1846872066 GARLGPSCHBGBPW-VMPITWQZSA-N 469.450 2.251 10 20 JECD CN(CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)Cc1ccc(N2CCCCC2)cc1 585676195 CVZDGDLHWIELTR-XZOQPEGZSA-N 463.644 2.303 10 20 JECD COc1ccc(N2CCC(NC(=O)N3CCN(CC(=O)N4CCCC[C@H]4C)CC3)CC2)cc1 726714903 BAUMZQGUZHSKHO-HXUWFJFHSA-N 457.619 2.392 10 20 JECD COc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c([N+](=O)[O-])cc1OCC(=O)O 730439428 JWNLTWORMALZRY-AWNIVKPZSA-N 456.454 2.133 10 20 JECD Cc1cc(C(=O)Cn2nnnc2C(C)C)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 743823911 HNYAWUBUIVQLED-UHFFFAOYSA-N 472.571 2.108 10 20 JECD CNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 918278772 YWTMZYVLJDXRFC-UHFFFAOYSA-N 464.444 2.157 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 918309316 WNKHTITZOUCBDJ-UHFFFAOYSA-N 461.526 2.109 10 20 JECD C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 920194855 JVOCJNUNDCOVEJ-WOJBJXKFSA-N 466.582 2.387 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3cc4[nH]ccc4s3)C2)C1 1778064338 YVOWWXQISBVEHL-DEOSSOPVSA-N 477.546 2.466 10 20 JECD CCOC(=O)c1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)ccn1 1780324379 TXADHQPHBGFDHZ-QHCPKHFHSA-N 489.912 2.080 10 20 JECD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)C1(O)CCC1 1781119950 IKBYMYPAZRODJH-JPEVHGAISA-N 466.962 2.430 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccncc1)C2 1783219861 FWOBRJJZCQDUFE-OFAFLBDBSA-N 453.495 2.039 10 20 JECD CCOc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1 1787540111 FSYLHDYKBZCETB-APTRMMRNSA-N 490.560 2.472 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)ccc1O 1790070739 DAPUOEDWUAFPOT-LEDOBFOHSA-N 476.533 2.087 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)cnc3O)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242122 DUGZGEUCLYZSCV-NCHVAJSOSA-N 482.320 2.412 10 20 JECD NC(=O)c1ccc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)cc1 1792316026 LEVOPVBHUSVSLZ-UHFFFAOYSA-N 482.587 2.394 10 20 JECD COc1cc(OC)c(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c1F 1795931321 MYSAQHJONVZTMV-ZSBIGDGJSA-N 499.561 2.094 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796932017 ZQFWVFCSIRJQNW-FRTACKCFSA-N 460.538 2.313 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796934480 JJHQJOVWQRIASC-IZBJGVDFSA-N 460.538 2.313 10 20 JECD COc1ccc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(F)c1 1800835057 MVPAOWVOTAOWPL-CCZPZZJPSA-N 498.507 2.267 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1803150588 JMHBHKBJDUFRQA-XPIZARPCSA-N 499.568 2.368 10 20 JECD Cc1nccn1CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804291254 HMTGBCWWFUKMPY-ASYHBGTLSA-N 454.527 2.440 10 20 JECD C[C@H](Cn1cccn1)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1804716770 RHWPGPPUFOJDBU-DZRGJMJISA-N 499.575 2.413 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)nn1C 1808464273 KGNZTYAGDWDODF-DVECYGJZSA-N 485.548 2.236 10 20 JECD O=C1Cc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)ccc2N1 1809685192 YMWLZQSHLHQEBA-HJPURHCSSA-N 473.489 2.016 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CCc2cncnc2)[C@@H]1c1cccnc1 1814162630 OGOFVZFHPVBVSP-DXVIPEEGSA-N 489.532 2.340 10 20 JECD Cc1[nH]nc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)c1F 1814163025 VNSJXFOYUZOIFX-NLLJUKRZSA-N 481.484 2.402 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccncc2Cl)[C@@H]1c1cccnc1 1814188816 AWQNSKDZATYIKG-AUUYWEPGSA-N 490.010 2.310 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)C1CCSCC1 1814239789 VNLJLSOUXWDTLE-APWZRJJASA-N 478.665 2.091 10 20 JECD Cn1cc(CCC(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)cn1 1817362342 LGYIQCODQRBLTG-MRXNPFEDSA-N 491.577 2.214 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(O)n1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817363007 FCMCTRCFDPCQRH-ZDUSSCGKSA-N 476.518 2.262 10 20 JECD CC(=O)Nc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)o1 1819787212 MVQKFOBRUWAEBI-LLVKDONJSA-N 457.468 2.040 10 20 JECD CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cn1 1833455424 VGQGUSUUBKXIHE-HSZRJFAPSA-N 492.960 2.087 10 20 JECD Cc1nc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cn1C 727112500 HMJNJKQBSUEPML-UHFFFAOYSA-N 464.525 2.101 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cc(S(C)(=O)=O)ccc3Br)nc12 729016961 CDFOQZGRLSJAOQ-UHFFFAOYSA-N 498.311 2.135 10 20 JECD CCn1cc(C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(=O)c2ccc(C)nc21 767736168 NOVDQEPKQMJJJF-UHFFFAOYSA-N 464.522 2.239 10 20 JECD CCCS(=O)(=O)NC1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)CC1 915160832 YAVYKTATSWKDAI-UHFFFAOYSA-N 485.518 2.304 10 20 JECD CCN1CCN(C(=O)[C@H](C)OC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)CC1 916597237 SCQXHPXXIWWBHU-AWEZNQCLSA-N 465.462 2.080 10 20 JECD CCOC(=O)N[C@@H]1CCCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 917057086 LDLVCAOBFFIOAR-ZIFCJYIRSA-N 450.555 2.266 10 20 JECD C[C@@H](OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 918001306 IOFGOHILYAMLMA-ZBSNKRKSSA-N 489.484 2.053 10 20 JECD Cc1cc(NC(=O)CN2CCN(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)CC2)no1 918220245 IYXQLWMEDYVZJE-QZTJIDSGSA-N 488.564 2.202 10 20 JECD Nc1c(C(=O)OCC(=O)NCc2cccc(C(=O)NC3CC3)c2)ccc2c1C(=O)c1ccccc1C2=O 918848410 ZLVXYOWDNGNLCM-UHFFFAOYSA-N 497.507 2.410 10 20 JECD NC(=O)CNc1ccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 919467826 GZDUBRROTGERQP-UHFFFAOYSA-N 457.442 2.155 10 20 JECD CCC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919700960 IXLYUIGVDLKSEB-LJQANCHMSA-N 454.550 2.207 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)Cc3c(F)cccc3F)C2)C1 1780808596 PANZNIDCHLEIIF-COIATFDQSA-N 474.460 2.167 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1noc3c1CCCC3)CCO2 1782001189 GUIUUZLACHTKHI-JOCHJYFZSA-N 461.902 2.375 10 20 JECD CCOC(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)OCC 1782340513 FSFJKLWWJWTAEP-RBYHXMTESA-N 492.569 2.120 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCCCC1)C2 1783219815 CYFHUBPEPWFOBL-ZYHKADTASA-N 487.597 2.207 10 20 JECD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)C1 1783865851 SEKJGDXFPRSAEB-GGOJBBCOSA-N 480.945 2.174 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[C@H]3C2)cc1 1784599060 GRDFIALZRMDEEB-NQCBNZPSSA-N 466.582 2.199 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3Cl)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787538502 DWRWQOHFTXEOOR-QSFXBCCZSA-N 481.940 2.121 10 20 JECD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccc(O)cc1 1789884823 NLROSKVAHAPLIZ-JYFRSGACSA-N 490.560 2.268 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)C[C@@H]21 1792239060 JPMNYIKGWWGEIK-JIFZMYKYSA-N 493.695 2.433 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc2ccc(Cl)cc2[nH]1 1792415226 KTHZZVCNFKDKJD-VTEUUUEMSA-N 456.886 2.145 10 20 JECD CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1795605244 YGMNFPKEBPIEJD-PLACYPQZSA-N 474.602 2.379 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1snnc1C1CC1)C1=NN(c2ccccc2)C(=O)C1 1797194513 KQEFKDVKRKRCDO-ACHSLPGTSA-N 464.551 2.460 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)C1CCOCC1 1806704403 CUNSPZHGSDYCHS-MYEWIJLCSA-N 467.522 2.344 10 20 JECD Cn1ncc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)ccc21 1809428025 OVINBDXWPWJCAR-GAJHUEQPSA-N 472.505 2.408 10 20 JECD Cc1ccc(C(=O)C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1812964077 VCYQWSRHYDFIOR-XMSQKQJNSA-N 460.490 2.399 10 20 JECD O=C(CN1CCCCC1=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1812975049 GJJJOFPLYSHLMI-OPAMFIHVSA-N 486.956 2.478 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1coc(Cl)n1 1816177753 GKGNBOJPVWNMFV-LLVKDONJSA-N 468.948 2.217 10 20 JECD O=C(Cc1cnc[nH]1)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1818004892 ZQLUYHYFNAUMRP-LJQANCHMSA-N 460.498 2.161 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCS2(=O)=O)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821294616 MLGLTRIPUYFEMH-HOCLYGCPSA-N 482.946 2.357 10 20 JECD O=C(Nc1cccnc1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823710456 DXFCVMGGLBNDQA-NSHDSACASA-N 487.925 2.467 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2coc(Cl)n2)CC1 1825540386 KXJJAPRRPFYLTM-AWEZNQCLSA-N 471.004 2.422 10 20 JECD CN[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1)C(=O)O 1826944443 CLGRISVSAVGVIP-DLBZAZTESA-N 467.950 2.047 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)Cc2cscn2)CC1 1827129053 VRMYKCDVHWTYDC-INIZCTEOSA-N 466.654 2.166 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cccnc3OCC3CC3)CC2)CC1)c1cc(O)nc(O)c1 1834987977 DJEGZYSXCPSOCI-UHFFFAOYSA-N 495.580 2.176 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CCc3ccccc3)CC2)CC1)c1cc(O)nc(O)c1 1834987989 FVAKCRDMBADVJN-UHFFFAOYSA-N 452.555 2.311 10 20 JECD Nc1ccccc1/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835779890 TUUZPYHAHLMYTQ-QQHIZMLBSA-N 487.940 2.117 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838382720 FGBKZUIYPCMWLT-CQSZACIVSA-N 496.992 2.071 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)n4cncn4)C3)C2)cc1 1839349291 NFJZVRJLFWTBBE-LVXARBLLSA-N 492.580 2.017 10 20 JECD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1C 1840644642 GSGFWWMALLNXSH-DEOSSOPVSA-N 490.940 2.452 10 20 JECD CN(C)c1cccc(OCC(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1841909434 OAXWJCPIYGFXAM-CSKARUKUSA-N 467.522 2.165 10 20 JECD O=C1CC(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)=Cc2ccccc2N1 1843442457 LJQHAIWVPYZTFZ-UHFFFAOYSA-N 483.528 2.409 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ccnn2-c2ccccc2)C1 1843596732 CYENBXJBWRMRKR-UHFFFAOYSA-N 468.517 2.482 10 20 JECD O=C1CSc2ncc(C(=O)N3CC4(CCCN4C(=O)c4cc(O)c(O)c(Cl)c4)C3)cc2N1 1845502120 RAOLXOOZBWOHND-UHFFFAOYSA-N 474.926 2.321 10 20 JECD Cc1nn(CCC(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)c1[N+](=O)[O-] 726646968 GJZBQOOTSJRVJA-GASCZTMLSA-N 491.520 2.411 10 20 JECD O=C(COC(=O)CNC(=O)c1ccc(O)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 727542516 ZDWMSJYKFHLSBD-UHFFFAOYSA-N 458.426 2.079 10 20 JECD COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(OC)c3O)CC2)cc1OC 727761196 NIKDAQMDERXZQC-UHFFFAOYSA-N 464.540 2.135 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)cc2)C1 749499045 OZCBWDQDNOGGMX-PZJWPPBQSA-N 478.549 2.038 10 20 JECD Cc1cc(C(=O)COC(=O)CN(C)C(=O)c2cccs2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 914959854 QJMHACJWYCMBQD-UHFFFAOYSA-N 489.575 2.301 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2F)C[C@@H](C)O1 917918275 MFHVTLCJIKROBM-IYBDPMFKSA-N 485.603 2.168 10 20 JECD CNS(=O)(=O)c1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1C 918294770 WDIVZCCDUNPBPC-UHFFFAOYSA-N 457.508 2.369 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)nc12 918795587 ZPQCGLZEKVDQBM-UHFFFAOYSA-N 477.477 2.405 10 20 JECD C[C@H]1CN(c2ccc(CNc3ccc(S(=O)(=O)N4CCOCC4)cn3)cc2F)C[C@H](C)O1 1317886347 GFKZNPYFFURNIS-IRXDYDNUSA-N 464.563 2.467 10 20 JECD Cc1cccc(N2N=C(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CCC2=O)c1 1347857684 SNGOPDFSFCVHOV-UHFFFAOYSA-N 454.552 2.029 10 20 JECD Cc1c[nH]c(C)c1CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777846677 SAERTMIDAYCTAL-NTKDMRAZSA-N 456.543 2.198 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3O1)CCO2 1785510479 LSEYOVFZMGQEIW-IZNZOLKSSA-N 480.517 2.040 10 20 JECD CC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1792977247 KPWYNIKHBNFKDX-FDKIHUSFSA-N 474.602 2.114 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCN2C)cc1 1793641583 HGFYURKMILVZHC-DVKRWUGUSA-N 450.583 2.392 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(OCF)cn1)c1cc(O)c(O)c(Cl)c1 1794729517 RHVKOXFHHYUWBW-CLLJXQQHSA-N 450.854 2.413 10 20 JECD Cc1cc(C)n(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)n1 1802778328 DRPPMDSALFJCQT-NUZGMZIFSA-N 462.554 2.321 10 20 JECD CC(=O)Nc1ccc(Cl)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c1 1803962890 DEZPNDAOXJSUGL-QDMKHBRRSA-N 495.026 2.411 10 20 JECD O=C(CCOc1ccc(F)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804334174 GQIWZHOKCKHNIZ-MUJYYYPQSA-N 465.572 2.093 10 20 JECD Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)nc1 1804539837 BBZOVNGIVNKGHT-MBSDFSHPSA-N 497.646 2.284 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807615381 AQVSYFLOPYQDMT-OXQOHEQNSA-N 485.541 2.121 10 20 JECD Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(-n2nccn2)c1 1807995965 WFSVUNXUHHUWQR-UUOWRZLLSA-N 499.531 2.410 10 20 JECD COc1ccc(COCC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1808000111 XACZCRDIKMGWRF-DFBJGRDBSA-N 492.532 2.433 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cn2ccccc2n1 1809049415 QUFYQXQQCLWAIJ-OPAMFIHVSA-N 458.478 2.169 10 20 JECD CCOCCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814167053 XGHOICZNDXCKAR-AEVOMHCASA-N 455.511 2.344 10 20 JECD CCc1ncccc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814185814 UXXVBXWWGCWBAK-IIBYNOLFSA-N 483.619 2.219 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)/C=C/c2cccc(O)c2)[C@@H]1c1cccnc1 1814190309 WLIPSDDBJJZGHZ-LJBSYDGDSA-N 496.614 2.367 10 20 JECD CN(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)nc1 1817844053 NPTVIJOYGLMITC-KRWDZBQOSA-N 451.487 2.297 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCc3nc[nH]c3C2)[nH]n1)c1cc(O)nc(O)c1 1817848396 HEDUILFRHBTLSA-YVEFUNNKSA-N 451.487 2.050 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccn2nccc2c1 1819212333 RWGDWHJLGPELDG-INIZCTEOSA-N 483.579 2.224 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCC4)CCO3)C2)cc1 1829877146 PJTPTBHCQBWRFT-MHZLTWQESA-N 480.609 2.260 10 20 JECD O=C(c1cc2n(n1)CCCC2)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901110 BWJZMQFEJYCGKJ-LJQANCHMSA-N 489.667 2.313 10 20 JECD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)c(C)c1 1838902947 QXRBYZHIQUJAAZ-HHHXNRCGSA-N 490.560 2.166 10 20 JECD CC(C)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)CC1 1839974685 BICBASMLSFALOJ-QZTZHPFYSA-N 461.559 2.025 10 20 JECD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1841433534 LARSQDVENDTLGZ-INIZCTEOSA-N 493.944 2.147 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2ncccc2Br)C1 1844507557 NCPMOADLIHASCW-FNORWQNLSA-N 474.311 2.491 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 726237289 XUPSWCIXNXFGGR-QHCPKHFHSA-N 452.555 2.431 10 20 JECD CCS(=O)(=O)N(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(C(C)=O)cc1 729264763 ZDFMQHPBTCVMNQ-UHFFFAOYSA-N 459.568 2.403 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(S(N)(=O)=O)ccc3O)c2C)cc1 747345410 ZQACBKLSMMGCQY-UHFFFAOYSA-N 486.502 2.273 10 20 JECD O=C(NCCCN1CCN(c2ccncc2)CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 748344012 QZHQDLCXLGKJIY-UHFFFAOYSA-N 470.593 2.193 10 20 JECD O=S(=O)(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc2nc(O)nc(O)c2c1 917912305 QSAQTVAGFWKPJU-UHFFFAOYSA-N 484.456 2.375 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)N3CCN(C(=O)c4cccn4C)CC3)cc2F)C[C@H](C)O1 918223268 YYDBQCPZFSOJSZ-ROUUACIJSA-N 457.550 2.445 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=CCCC1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126399 VBYGCVCKCYEGDE-PXDATVDWSA-N 450.539 2.404 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)c3)C2)C1 1780604249 PUZTUSMEGOWVIA-XMMPIXPASA-N 450.470 2.062 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)n2ccnn2)CCO3)cc1 1781753610 FPHREGOOQZVWOO-CJFMBICVSA-N 462.554 2.390 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1784491022 GMLBIONNRPWMOY-PEBXRYMYSA-N 461.902 2.057 10 20 JECD C/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)[C@H]2C1 1787400501 QSDZERBRYWCBTL-SSIMHHLRSA-N 486.613 2.260 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cccnc1-c1ccccc1 1787608845 YQPCPEKQBRNQFD-YYWHXJBOSA-N 474.517 2.462 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792221379 UJXHVZQWEVJMBV-BNLJNGAUSA-N 479.533 2.295 10 20 JECD O=C(Cc1cc([N+](=O)[O-])ccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1793810144 XOFAIGXHMWJUPX-VTEUUUEMSA-N 493.875 2.244 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccccc3n1)C2)c1cc(O)c(O)c(Cl)c1 1799768529 XIZCCOHCZIQZKU-VTEUUUEMSA-N 468.897 2.211 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(F)ccc1C(F)(F)F 1801860687 KMIWIMUQOBJARX-KSPBDQMDSA-N 469.391 2.168 10 20 JECD CN(CC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)C(=O)OC(C)(C)C 1806723207 HYEKOPRCYPCKSO-IERDGZPVSA-N 485.541 2.074 10 20 JECD CC(C)Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n(C)n1 1807995077 XLFFVPBFFDDHBT-GAJHUEQPSA-N 478.553 2.453 10 20 JECD CCC1(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)COC1 1812494298 RXHWSRNPENNXQA-SFYFWLEPSA-N 467.522 2.344 10 20 JECD COc1ccccc1CC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1812767530 MPHULOPCNAPFMI-JPYJTQIMSA-N 498.630 2.199 10 20 JECD O=Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1814185420 BQFYBPCCVWHWFP-KUHUBIRLSA-N 488.616 2.136 10 20 JECD CC(=O)Nc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)cc1 1818789996 YHZBAYFKJOERCA-MRXNPFEDSA-N 481.534 2.376 10 20 JECD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1823767166 XHUDRNFSQDNHOT-LBPRGKRZSA-N 498.521 2.463 10 20 JECD O=C(c1cnn2c1OCCC2)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429734 QPIDENCBWIHXOJ-SFHVURJKSA-N 455.515 2.019 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1829091174 SZPOIAUAROZGRD-XMSQKQJNSA-N 479.581 2.090 10 20 JECD O=C(Nc1cccnc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876888 QAJUMQQOLCAPCC-JCOOBLOPSA-N 494.548 2.470 10 20 JECD O=C(Cc1cccnc1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902820 YLNRQZIVLPOUMY-GOSISDBHSA-N 460.625 2.104 10 20 JECD O=C(Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1834997770 LOPJADMXPAKRBP-HSZRJFAPSA-N 460.914 2.064 10 20 JECD COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1836297184 BFVKPHDOKSNTIC-UHFFFAOYSA-N 454.527 2.000 10 20 JECD O=C(CCC1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1836526470 UXQIHKIAJOYCCH-AREMUKBSSA-N 482.581 2.206 10 20 JECD CC(C)c1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)n[nH]1 1838029752 IETYSSNDQJDNSE-UHFFFAOYSA-N 457.531 2.265 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)cn3)C2)C1 1839433299 DYIFSKWBXRWBMC-NRFANRHFSA-N 482.320 2.183 10 20 JECD COc1ccc(Cl)c(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)c1 1846776977 ULHZNEJXMIHYPL-UHFFFAOYSA-N 453.973 2.026 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)C1 1847017695 AMDAXYNEWVUVEO-HSZRJFAPSA-N 474.558 2.347 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(N4CCCS4(=O)=O)cc3)n2)o1 727244785 GKAYMOOCVINPAJ-UHFFFAOYSA-N 496.592 2.380 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)ccc21 728638668 GIAOLSSJEJJGCN-UHFFFAOYSA-N 484.553 2.043 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(Cc4ccc(OC)c(F)c4)CC3)CC2)cc1 742948450 SHVKVFXXBYRCOC-UHFFFAOYSA-N 485.604 2.492 10 20 JECD C/C=C/C=C\C(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 825191917 NKXFCZBSIZLPRU-QYYRRJHKSA-N 460.533 2.408 10 20 JECD Cc1cc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)n1-c1ccccn1 914614227 VVYUNMHUHHNJFX-UHFFFAOYSA-N 498.561 2.306 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(C)n1-c1ccc2c(c1)CCC2 914658117 ZETUZKKTIVHKCC-IRLDBZIGSA-N 498.601 2.344 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)CC2)cc1 915266167 DEBQRIOOCOUGNX-NRFANRHFSA-N 457.619 2.251 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCC[C@H](C(=O)NCC4CC4)C3)cc2F)C[C@@H](C)O1 917060067 LSQXBGFSDQTYEI-UEXGIBASSA-N 460.594 2.294 10 20 JECD O=C(Nc1ccc(CCN2CCOCC2)cc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918295742 FJTZARHVCPBJCJ-QHCPKHFHSA-N 467.566 2.413 10 20 JECD Cc1sc2ncn(CCC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)c(=O)c2c1C 918339262 DEBJXNKKKXDXJT-UHFFFAOYSA-N 474.608 2.016 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CC[C@H](C(F)(F)F)NC3=O)cc2F)C[C@@H](C)O1 919080974 UZXOPTATDAUEHR-ZFHGCVPZSA-N 489.466 2.056 10 20 JECD COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1 919651040 PYSWNNKWHSNDJC-UHFFFAOYSA-N 474.514 2.148 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)CC(C)(C)C)cc2F)C[C@H](C)O1 919730878 COPDVWLTXDPRKV-HOTGVXAUSA-N 451.539 2.151 10 20 JECD CN(Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c1)C(=O)C(F)(F)F 920196353 QLHZYCSBMXSNPR-UHFFFAOYSA-N 478.471 2.299 10 20 JECD Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCOCC1 920879111 GIKYVDVXLDSKBT-IBGZPJMESA-N 473.595 2.344 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)c1ccc(N2CCOCC2)cc1 920926522 QRYITKDRHBWRPR-LJQANCHMSA-N 493.608 2.036 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3ccncc3Cl)C2)C1 1779474887 FIYBKPRWFUVLOV-YSNSILARSA-N 459.886 2.009 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)s1 1787537200 DIXCAWXSCIESGF-QRFRQXIXSA-N 466.563 2.443 10 20 JECD COc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1 1789540900 QJXDCJIKIFDOAG-GRRCIFBWSA-N 468.506 2.119 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccccc1N1CCCCC1 1790257944 PJDLDCPTXKOVAU-XJABCFGWSA-N 480.565 2.390 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2cc(Br)ccc2n1)c1cc(O)nc(O)c1 1798138563 QEXMCQULPDGHQR-QDMKHBRRSA-N 486.326 2.469 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1[nH]cnc1-c1cccnc1 1798494817 XFFLOBBENJBTHM-JLVBRIDZSA-N 483.912 2.053 10 20 JECD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1801964788 RTNNRSHGTBJFQZ-KPEUIFRASA-N 497.976 2.258 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)[C@@H](O)c1ccco1 1802519227 AQNCDKXVLABWHG-NWVWQQAFSA-N 487.516 2.207 10 20 JECD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cn1 1805248896 RPOYHXABDCZENI-CYFREDJKSA-N 483.532 2.293 10 20 JECD CC[S@](=O)CCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1810126155 ZJHCFNLTWDDQOM-NRHQIWBESA-N 487.578 2.076 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3ncn(-c4ccccc4)n3)CC2)C1 1810552280 VOXHQEJFSRVXRL-UHFFFAOYSA-N 462.510 2.232 10 20 JECD COc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(O)c1 1811751698 NSRGQGBENCSDIE-IVZQSRNASA-N 464.478 2.235 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)nn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811797267 CNRAEFHHGGQBNN-DJJJIMSYSA-N 469.885 2.275 10 20 JECD CCN(CC)C[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812358719 NEXAMJHCDSHWAS-AQOAWAETSA-N 455.559 2.185 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cncnc2)[C@H]1c1cccnc1 1814162644 OUVZTNMJWRZRRS-RKUWUGLRSA-N 461.478 2.021 10 20 JECD CCOC(=O)/C=C/C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814163049 WVNCBCLVFAJXQE-SANANNIGSA-N 481.505 2.037 10 20 JECD COc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)n(C)n1 1816136632 YQHJVTSTEKSDBC-GOSISDBHSA-N 490.524 2.251 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1cc(=O)cco1 1816652246 RLSQOCMFZMVUJX-YERXGYGTSA-N 466.450 2.499 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c3nccc-3c1)CC2)c1cc(O)nc(O)c1 1816726185 SIVFYRQBQZWIEJ-CYBMUJFWSA-N 450.480 2.317 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1n[nH]cc1[N+](=O)[O-] 1819656604 LCDYVIBGAOWWNJ-MRXNPFEDSA-N 491.468 2.140 10 20 JECD Cc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)c(=O)[nH]c1C 1823708324 RUTBJIFOCVUBEK-NSHDSACASA-N 489.941 2.447 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccns2)CC1 1825681223 NSNNIYIKSDSRFG-CQSZACIVSA-N 452.627 2.237 10 20 JECD Cn1nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)c2c1CCC2 1827427206 HUTVFWOOVSTFHE-SFHVURJKSA-N 453.543 2.262 10 20 JECD Cc1ncc(/C=C/C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)s1 1828248839 ATCOKKSTHNPHLZ-TZNOJPMFSA-N 493.661 2.394 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)[C@H]2Cc3ccccc3O2)CC1 1828434098 MBDLZSHGXBKSBU-UYAOXDASSA-N 487.647 2.470 10 20 JECD CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1828763410 QRBHWQKCUWTOCE-QFBILLFUSA-N 483.949 2.049 10 20 JECD CC[C@H](NC(N)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830737172 KSEMLDFPQDQTCK-DLBZAZTESA-N 466.966 2.431 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccc3nn[nH]c3c2)CC1 1831057203 TZECGZCXTJMEQO-LJQANCHMSA-N 450.499 2.311 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1831685707 URSPIRVUGFXIMW-BDXSIMOUSA-N 465.641 2.034 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC[C@@H]3CCCC[C@H]31)CCO2 1836701825 CCJAOKLEFMJCOD-BPJRARJCSA-N 473.570 2.169 10 20 JECD O=C(COc1ccccc1F)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432989 FESGBDRUMQESCF-HSZRJFAPSA-N 494.903 2.039 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)c2cocn2)C1 1842545476 FVVKKAXPJOBPOP-INIZCTEOSA-N 486.525 2.039 10 20 JECD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)N1CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C1)C2 1843251271 OPVXOIAKHGYQSX-BBWFWOEESA-N 472.542 2.098 10 20 JECD CC(C)N(C)CC(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1846711900 FOXYMFSDKPWZMK-OAQYLSRUSA-N 487.645 2.248 10 20 JECD COc1cccc(OC)c1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038199 GKDWPRAGRHISLU-CSKARUKUSA-N 454.479 2.351 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3ccc(S(=O)(=O)NC(C)C)cc3)CC2)cc1 9919822 GOEQGSDMULWOGD-UHFFFAOYSA-N 474.627 2.324 10 20 JECD CN1C(=O)c2ccc(NC(=O)C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2C1=O 726725611 CUGUJKOUKJOCLN-UHFFFAOYSA-N 472.448 2.238 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCN3C(=O)c3ccc(OC)cc3OC)CC2)cc1 742920794 UJDWILWPNZEVNK-DEOSSOPVSA-N 496.608 2.255 10 20 JECD CN(C)c1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)cc1F 746805334 TUDVCNWNVQPRMN-INIZCTEOSA-N 461.515 2.145 10 20 JECD O=C(CSc1nncn1C1CC1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 824297118 PXNWWZSAEQCXRO-PXNMLYILSA-N 489.604 2.451 10 20 JECD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NCc1ccc(N2CCCC2)cc1 915082635 MZCUHFFSCRYSNU-UHFFFAOYSA-N 484.622 2.216 10 20 JECD COc1cccc(N2CCN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)c1 918118081 UZPOJYAXLKZIQV-FQEVSTJZSA-N 451.571 2.429 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 918440427 RGXWRCJFPWDHTD-UHFFFAOYSA-N 468.623 2.369 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cc2F)C[C@@H](C)O1 918989839 IKIRPANVCLUGEA-ZHALLVOQSA-N 475.561 2.390 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)Nc1cc(F)ccc1F 919799443 CVQARFGOOYSIOU-UHFFFAOYSA-N 470.455 2.475 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1 920253247 WETBFUMYDMQYCV-ZNFPLGDCSA-N 450.495 2.258 10 20 JECD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)cc1 920482513 QRZHXLNVRYBNAT-UHFFFAOYSA-N 456.498 2.109 10 20 JECD CC(C)(C)C(=O)C=c1sc(=Cc2ccc(N3CCCC3)cc2)c(=O)n1CC(=O)NC[C@@H]1CCCO1 1319161845 VSBRFEXPLHVEJY-NRFANRHFSA-N 497.661 2.030 10 20 JECD CCc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)no1 1778127358 IIUKMQDDOKQNEK-PXDATVDWSA-N 479.537 2.157 10 20 JECD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c(F)c1 1781600230 VJZSGAACQDDWPI-MLENBVEFSA-N 472.469 2.108 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3c(Cl)ccc(Cl)c3O)C2)C1 1781944273 ADBREGYDZUNXFY-HXUWFJFHSA-N 468.293 2.263 10 20 JECD CC(=O)C[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1782146097 JBUJHXZMUVUIBK-PFDOBSCMSA-N 452.935 2.494 10 20 JECD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)n1cccc1 1782447714 WKFOUDLPNXPALY-ICOBBUDBSA-N 469.538 2.393 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1onc3ccccc13)CCO2 1785510329 WANJOVSEMBOBLK-YFTVHVBSSA-N 465.462 2.102 10 20 JECD O=C(/C=C/c1cc2ccccc2o1)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785540697 NJHASWGGUXMYOH-NFOSPISASA-N 485.587 2.136 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccsc3)C[C@@H]21 1792219055 ILJBJCLMSXBJOS-PZBSYTJWSA-N 472.563 2.491 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccnc2C(N)=O)cc1 1794268721 JEVNJOGQMICDBT-JHDGKUDLSA-N 487.560 2.105 10 20 JECD Cc1nnc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)s1 1794378449 SHGQZSQSKPPZAF-VBUUOAMHSA-N 466.567 2.210 10 20 JECD Cc1cccc(C)c1SCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796138573 JVQQDMUSSJYWQH-UPHUGPLXSA-N 457.552 2.105 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)cccc1Cl)C2)C1=NN(c2ccccc2)C(=O)C1 1796480917 VEDXVOXQNBQDKS-YEZVWNJWSA-N 484.915 2.475 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1csc(-c2cccnc2)n1 1796940458 TVSYRVMLDCEXCF-QDMKHBRRSA-N 487.632 2.317 10 20 JECD O=C(/C=C/C1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1799309170 KEUFOTQAMVTRAF-NBNLVUPTSA-N 450.539 2.115 10 20 JECD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc2c[nH]nc12 1799919464 GCLZZTXOAATXBB-CWPLJXCYSA-N 470.913 2.453 10 20 JECD COC(=O)[C@H]1CCC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)C1 1802254309 JWDYXJAMYGNEIW-RDIJVOARSA-N 480.565 2.397 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1ccc(O)c([N+](=O)[O-])c1 1804289377 FERFPGXNYVYBMN-AKNOBNDCSA-N 469.450 2.382 10 20 JECD C[C@@](O)(C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1)C(F)(F)F 1806479868 MHYAOPBGVFPOPM-OAQYLSRUSA-N 480.487 2.324 10 20 JECD CC(C)NCCC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1807322993 GGMXWFGGMUXZJV-CJFMBICVSA-N 476.581 2.268 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cncc3cnccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995631 SMRGJFYQGSTIJR-MWTRTKDXSA-N 470.489 2.464 10 20 JECD Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1810398019 WQKSHXLNNXFYJM-FNZWTVRRSA-N 499.575 2.463 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2c2cccnc2)cc1 1811264397 MPZMSJGJAIIDHM-RCZVLFRGSA-N 484.564 2.495 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)on1 1814190317 WPSFQHUDPUKADQ-QRWLVFNGSA-N 487.607 2.373 10 20 JECD Cc1cc(C)nc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1 1815960398 DWZRSVWBLKQZTG-GFCCVEGCSA-N 475.621 2.241 10 20 JECD Cc1cncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c1 1816501420 XTJKPXVQVJYATH-OAHLLOKOSA-N 458.569 2.279 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(N3CCOCC3)cc1)CC2)c1cc(O)nc(O)c1 1816726449 YYQSBDSHLFFXAJ-MRXNPFEDSA-N 495.561 2.326 10 20 JECD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)nn1C(F)F 1816727493 YMBZJHIAXUPTPR-JTQLQIEISA-N 464.454 2.389 10 20 JECD Cc1[nH]nc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)c1F 1817363577 JLUKPIPMHVBRQX-GFCCVEGCSA-N 481.513 2.332 10 20 JECD C[C@@H]1CCc2c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CN4C(=O)CSC4=S)[nH]n3)n[nH]c21 1818641409 NLUPZMHRERITJB-BXUZGUMPSA-N 487.611 2.349 10 20 JECD Cc1nccn1CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822724385 HGSVMPRWGPEUCJ-INIZCTEOSA-N 489.627 2.247 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1cscn1 1834221432 QERIERFZMQHCCV-UHFFFAOYSA-N 480.594 2.121 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 1836418481 WTALJBSCIXWOAK-AXHZCLLHSA-N 487.940 2.020 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3nnc(-c4ccccc4)o3)CC2)CC1 1838029946 TWJHHKKMLKVTQL-UHFFFAOYSA-N 493.520 2.469 10 20 JECD O=C(c1cc(F)cc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433953 ZBPWPQNLFQEDQB-QFIPXVFZSA-N 482.867 2.413 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249118 YGZLCKJMINWFFP-LJQANCHMSA-N 496.564 2.446 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(O)nc(O)c2)C1 1847684854 KCEIAQCUYRCSRE-ORQFMDKSSA-N 460.531 2.002 10 20 JECD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1ccc(C)c(O)c1O 727005133 HHQFIHMLOZXQJS-UHFFFAOYSA-N 478.523 2.385 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(OC4CCCC4)nc3)CC2)cc1 727035228 JYZAMZOHHJBHEW-UHFFFAOYSA-N 467.570 2.289 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@@H]3CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 729586245 FQSOWRXGLZSKRZ-WPFOTENUSA-N 473.662 2.491 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3c(C)cccc3C(=O)N3CCCC3)CC2)cc1 743432520 OGDHVYQCEIDZPE-UHFFFAOYSA-N 493.608 2.117 10 20 JECD COc1ccc(-c2nnc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)n2N)cc1OC 749097243 UACKIPRWDMCBIR-UHFFFAOYSA-N 456.572 2.493 10 20 JECD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCCCN1C(=O)NC3(CCCC3)C1=O)c2[N+](=O)[O-] 842721328 FZXWNMJJTYPOBI-UHFFFAOYSA-N 490.472 2.355 10 20 JECD O=C(NC1CCN(C(=O)C2CC2)CC1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 913687182 YWEJZOHEESKNMY-UHFFFAOYSA-N 488.522 2.232 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 918305977 QKUJEMLJPCNBEI-UHFFFAOYSA-N 485.560 2.150 10 20 JECD Cc1cccc(-c2nnc(S)n2CCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 918335545 PKSXIOFHUVUZTK-UHFFFAOYSA-N 485.635 2.484 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CCc3c(C)nc4c(c(C)nn4C)c3C)nc12 918937126 YAZAIGBGQHATJO-UHFFFAOYSA-N 466.498 2.495 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1cc(N2CCCC2=O)ccc1F 919665324 ZHLMJSSFCPYEGB-UHFFFAOYSA-N 468.529 2.416 10 20 JECD COC(=O)N(C)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 920193006 SRMJFJYJAHDQCR-UHFFFAOYSA-N 458.490 2.244 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)C3(F)CCCCC3)C2)C1 1778206733 MSVUACSGJLGULU-QHCPKHFHSA-N 456.518 2.282 10 20 JECD CCc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)n(C)n1 1781121922 FPSREZFVOMAMLO-AUSIDOKSSA-N 476.961 2.488 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)C2 1783221960 VPTCFSHKBHGSMC-BCHAREHBSA-N 472.563 2.206 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OC(F)F)cc3)C[C@@H]21)c1cc(O)nc(O)c1 1787294629 ZIXYRDRKKRYAJW-JQFCIGGWSA-N 463.437 2.001 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)[C@H]2C1 1789846094 WRYGGNVCDKZECE-YSSFQJQWSA-N 496.520 2.116 10 20 JECD COc1cccc(-c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)nc(O)c3)c[nH]2)c1 1796136037 IZWMTZDSDCCNND-FEJSZKPUSA-N 478.505 2.014 10 20 JECD Cc1ccn2c(=O)c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3=NN(c4ccccc4)C(=O)C3)cnc2c1 1796934585 OCWFOWPHERMCRV-FNLKRUPLSA-N 498.543 2.048 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(=O)Nc2cccnc2)cc1 1797889262 FARVNODIYKKQDH-RUMRUAAYSA-N 487.560 2.331 10 20 JECD Nc1nc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)c(O)c(Cl)c3)ccc2s1 1799770793 HSAWFJLOHPHTND-IVWMJMPLSA-N 488.953 2.460 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1803150586 JMHBHKBJDUFRQA-WJPUGNRLSA-N 499.568 2.368 10 20 JECD CCC1(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)COC1 1808470239 UPWBAKYFOMFZGH-AUSIDOKSSA-N 475.549 2.307 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cnc2ccccc2n1 1808968595 XPVVNSLXRNRUMA-WAIKUNEKSA-N 470.489 2.464 10 20 JECD Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)o1 1813513545 LHWZTELNVSORRH-HRAATJIYSA-N 472.592 2.092 10 20 JECD CC(C)N(C)CC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813597647 YOJNVWFEOIRDGQ-NBGIEHNGSA-N 476.581 2.221 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)C1(O)CCC1 1814161080 BHOIFJCWEIIUMH-SLCYKOLNSA-N 481.549 2.469 10 20 JECD CCOC(=O)C1(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)CC1 1814165558 HQUZLCQTXDVAOG-SFYFWLEPSA-N 495.532 2.261 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc3cccnc3[nH]2)[C@H]1c1cccnc1 1814189008 JATYJLPFFSPCIL-JXFKEZNVSA-N 494.602 2.138 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2nc3ccccc3o2)[C@@H]1c1cccnc1 1814190295 WESYPWPVIVQBOB-FOIQADDNSA-N 495.586 2.403 10 20 JECD CN(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cn1 1817846346 SWNWPJPHCRRACH-INIZCTEOSA-N 451.487 2.297 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cc(O)cc([N+](=O)[O-])c1 1821261161 KGZWMRFISGSUEQ-MRXNPFEDSA-N 468.426 2.449 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])CC2)c1cc(O)c(O)c(Cl)c1 1823711090 UTFDOHBHWJJFTN-MRVPVSSYSA-N 478.874 2.379 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc[n+]([O-])cc1)CC2)c1cc(O)c(O)c(Cl)c1 1823712731 WCXIBZBLPSPWNJ-LBPRGKRZSA-N 460.899 2.381 10 20 JECD COc1ccccc1CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1825427054 WGVHVMSJQIBTDD-ZDUSSCGKSA-N 490.632 2.167 10 20 JECD COCC1(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)CC1 1828195234 JIIJTZHOWBCYBV-LPZVBRGNSA-N 459.524 2.312 10 20 JECD COc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834429907 KLOKWDMGJORPJY-UHFFFAOYSA-N 482.581 2.319 10 20 JECD COc1cc(C)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1839256240 RKQDDDAUXYBENJ-XMMPIXPASA-N 490.940 2.452 10 20 JECD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)c1ccccn1 1839433424 UVMHTAGTXDDVQB-IQMFZBJNSA-N 475.929 2.020 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2ccncn2)C1 1843470241 VXVPCCDEJGHCAQ-HXUWFJFHSA-N 480.569 2.012 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)c1 729536338 YZAIKXQVZUKHQM-CQSZACIVSA-N 487.534 2.167 10 20 JECD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)o1 915417587 GACDFAYLHOCEEI-UHFFFAOYSA-N 474.491 2.406 10 20 JECD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)c3ccc(O)c(O)c3)CC2)cc1 916614684 AHAJCOAERKWVCO-UHFFFAOYSA-N 491.518 2.101 10 20 JECD O=C(c1ccc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)cc1)N1CCOCC1 917911563 GWBGQIUPDXACSQ-UHFFFAOYSA-N 461.609 2.191 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)cc2)C1 917930013 MMSXYMSHMJJNDK-KRWDZBQOSA-N 498.527 2.159 10 20 JECD COc1cccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)c1 918116883 BUQRLFAKXBMACM-OAQYLSRUSA-N 479.581 2.065 10 20 JECD CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918372535 MIVPDAOYKVKEAU-CYFREDJKSA-N 461.566 2.233 10 20 JECD CCC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919700966 JGNMCLMFTSAMNG-OAQYLSRUSA-N 454.550 2.350 10 20 JECD COc1ccc(Cl)cc1CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 919812249 VZQIJTVZUOGIET-UHFFFAOYSA-N 453.948 2.384 10 20 JECD O=C(COC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)NCc1ccc(N2CCOCC2)c(F)c1 920646946 IXLOUBNSDJCTNG-MRXNPFEDSA-N 461.456 2.096 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cncs1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126137 HWRUSWKAJXXJSO-AUSIDOKSSA-N 467.551 2.064 10 20 JECD COc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)ccn1 1778127782 MKYWEABBLUCHEJ-QFQXNSOFSA-N 491.548 2.011 10 20 JECD CN(C)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1 1780730229 GQHFQIQGHVFWOO-ZYJSVEMRSA-N 467.522 2.026 10 20 JECD Cc1cc(C)n2ccc(C(=O)N3CC[C@@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)c2n1 1782578299 GMCPOFPMZRBPGR-CKUSHTOWSA-N 492.532 2.225 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(Br)c(F)cc3F)C2)C1 1785243844 HJJRIHFDARYNOH-FQEVSTJZSA-N 498.280 2.291 10 20 JECD Cn1c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)ccc1C(F)(F)F 1785506096 YVMSJGFKIRZDSL-DWUINAILSA-N 495.454 2.318 10 20 JECD Cc1nc(C)c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)s1 1785508802 MEBWDLZCGUIQQL-LHXJMTLCSA-N 459.524 2.034 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@H]1C[C@H]1c1ccc(F)cc1 1792805697 CMVCEVFTXLBQKZ-YHPRZLSOSA-N 490.535 2.312 10 20 JECD CN(C)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1794808439 YCRVHCFPVGVIGB-BJKLQHCMSA-N 452.511 2.230 10 20 JECD COc1cccnc1CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796932710 VAFGQOOUAHVOFE-FNLKRUPLSA-N 475.549 2.454 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CC(c3ccccc3)(C1)C2 1802216828 PCMMUKBFEYJPLR-MPRYPCJVSA-N 498.583 2.491 10 20 JECD Cc1cnc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1805243452 RHMYREHTTANIAD-PBHICJAKSA-N 475.621 2.026 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1808431046 FMYAVRDJWOHHQT-PSGMQZRDSA-N 474.945 2.333 10 20 JECD C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)O1 1809559829 SFKGNPPLCIHBBG-KSZDXEJVSA-N 475.549 2.448 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cncnc2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811798279 LVXBBBGRBCJYIN-KKSFZXQISA-N 467.913 2.499 10 20 JECD O=C(CCn1ccnn1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1813431660 FIFNVKBLUSOSBA-FOIQADDNSA-N 470.917 2.148 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@@H]1c1cccnc1 1814165515 GSTNCUXZUAQWOT-VCKLXWPISA-N 475.505 2.354 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc(F)s2)[C@H]1c1cccnc1 1814184732 DUKPDRMIBKLZAH-UGSOOPFHSA-N 478.596 2.462 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cnoc2C2CC2)[C@@H]1c1cccnc1 1814186117 LQOVYALSXSPBQG-DNVCBOLYSA-N 485.591 2.127 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc(Cl)ncn1 1819981617 KJVRLJBIGLXRHQ-LBPRGKRZSA-N 479.975 2.019 10 20 JECD CC(C)(C)n1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)nn1 1820319221 USWVGFIWASFYPV-HNNXBMFYSA-N 454.491 2.182 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cnc4ccc(F)cn34)sc2C1)c1cc(O)nc(O)c1 1824270277 QFZBABAEMRILGH-LBPRGKRZSA-N 468.470 2.276 10 20 JECD Cn1nc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)cc1O 1825461799 SYONFPBXBQARAG-IWHGQQBYSA-N 470.526 2.189 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CCCC3)CC1 1827454908 IOIUKYPUYKWNJQ-SFHVURJKSA-N 489.667 2.382 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCc3ccoc3C1)CC2 1828241808 CPBFYKRCPIUPAS-CHWSQXEVSA-N 490.632 2.314 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3ncsc3[nH]1)CC2 1828244675 NQHXFQXPFHQWDO-MRVPVSSYSA-N 492.633 2.167 10 20 JECD CC(C)[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)c1ccccc1 1830843034 IINWAHJQEOGXBG-RDGATRHJSA-N 469.538 2.003 10 20 JECD CCc1ncsc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988699 GJZJCIUTOZXYHJ-UHFFFAOYSA-N 459.572 2.011 10 20 JECD CC[C@@H](C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1836891315 GBUOGUPQWDDDTQ-QYUAPJNHSA-N 476.570 2.222 10 20 JECD O=C(CCc1ccoc1)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838814675 VMUZCFZGUOOILF-UHFFFAOYSA-N 479.624 2.071 10 20 JECD O=C(c1cc(Br)ncc1Cl)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249181 GSIFVHYRCBVACZ-UHFFFAOYSA-N 467.707 2.435 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2ccc(Cl)cc2[nH]1 1847210075 IBELIYXQJNVJDF-HOTGVXAUSA-N 462.984 2.497 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1F 731408050 CKNIOWKMDLBHOE-UHFFFAOYSA-N 469.561 2.314 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 749025973 CXZOGJMULPXIIN-UHFFFAOYSA-N 454.596 2.468 10 20 JECD CNS(=O)(=O)c1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1C 916672300 GCHPTVWXUXDIOK-UHFFFAOYSA-N 450.536 2.325 10 20 JECD Cc1oc2c(CN3CCN(C(=O)C(=O)NC4CC4)CC3)c(O)ccc2c(=O)c1-c1ccccc1 917469636 UKZBKGCTPKWHTA-UHFFFAOYSA-N 461.518 2.397 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC(NC(=O)c4ccccc4)CC3)cc2)C1 918118044 NRPTVQQSUQPNLM-NRFANRHFSA-N 463.582 2.492 10 20 JECD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)C2CC2)cc1 918456519 LKJNPMRUKPIZOK-UHFFFAOYSA-N 479.581 2.153 10 20 JECD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)C2CC2)cc1 918457938 YESXORBXZKRBOJ-UHFFFAOYSA-N 469.973 2.472 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(-n4cccn4)nc3)cc2F)C[C@H](C)O1 919052872 OMUBPKPQPWIEHO-IRXDYDNUSA-N 467.501 2.493 10 20 JECD CCS(=O)(=O)N1CCC[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 919649601 BZARCFXKTGJMIS-HZPDHXFCSA-N 498.557 2.394 10 20 JECD CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919699563 SDDDQKUURHHLME-UHFFFAOYSA-N 498.584 2.171 10 20 JECD Cn1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)ccc1C(F)(F)F 1778368762 UKLSPDCRRTTZMF-IIBYNOLFSA-N 482.459 2.291 10 20 JECD CN(C)c1cccc(OCC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1782003457 JFBPMNFBEAFSCZ-XMMPIXPASA-N 489.956 2.340 10 20 JECD O=C(COc1ccc(F)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004903 POQBXCLWGSXOLY-QFIPXVFZSA-N 464.877 2.413 10 20 JECD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1cccs1 1782476937 DTWYFKQDWDBNFK-IUSZMWJPSA-N 481.665 2.226 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4cccnc4n3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539767 SWFYNOINKGRHNW-LEDOBFOHSA-N 498.543 2.016 10 20 JECD CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1792535973 YKWLFXFEBYUQJF-DVKRWUGUSA-N 466.582 2.212 10 20 JECD COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c(Cl)c1OC 1792761365 PEKLDSRWJBFGLV-CLLJXQQHSA-N 498.026 2.469 10 20 JECD CCCCCc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)s1 1796141346 ZPPIAPNRQAWHNA-YVWYUNDQSA-N 460.556 2.199 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1cn2cc(Br)ccc2n1 1796600655 BLOURNKJTPEVGT-QDMKHBRRSA-N 486.326 2.469 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cncn2c1)C1=NN(c2ccccc2)C(=O)C1 1798193811 BGXFTEWQEZEOQP-FNLKRUPLSA-N 456.506 2.379 10 20 JECD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799766914 GZGQTHBKZJAZGD-XOIINTDNSA-N 497.976 2.258 10 20 JECD O=C1Cc2cccc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c2N1 1807998228 AZGTVZGYNJAKPM-HJPURHCSSA-N 473.489 2.016 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cc[nH]c2nccc1-2 1808075575 WGQXXKLRWWYALO-YWZLYKJASA-N 494.602 2.089 10 20 JECD CC(C)N(C)CC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813603259 YZYHQQXCAPSUHM-QRZGEARGSA-N 468.554 2.258 10 20 JECD CCN(C)[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361668 BOJFCOBNWHZDGC-CABCVRRESA-N 468.583 2.188 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2nc3ccc(F)cn3n2)[nH]n1)c1cc(O)nc(O)c1 1817847027 HOIXJDNGHGCXLR-CQSZACIVSA-N 466.433 2.017 10 20 JECD CC(C)O[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1819511963 OCLGTSITVUHMSY-GXTWGEPZSA-N 453.590 2.076 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@]2(F)Cl)CC1 1831961979 FLJUTHRSNXYZPM-CKFHNAJUSA-N 462.012 2.391 10 20 JECD COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c(O)c1 1832901180 RFGLEMKVHFOEJZ-SFHVURJKSA-N 491.635 2.494 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnsn2)CCO3)cc1 1833533981 DMQOGFHGOMTUAY-DEOSSOPVSA-N 481.578 2.329 10 20 JECD Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1O 1838030373 SZHBPGQXPUPXAC-UHFFFAOYSA-N 455.511 2.433 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(F)(F)C3)C2)C1 1839432500 QNJMPGDUGFZXDR-RBZFPXEDSA-N 474.888 2.257 10 20 JECD O=C(CCc1cccc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840267441 URCLFTRKCJWNJJ-DEOSSOPVSA-N 490.940 2.160 10 20 JECD Cc1ccc2nc(C(=O)N3CCCC34CN(C(=O)CN3C(=O)CSC3=S)C4)ccc2c1 1843665097 PVRYHIKQTWGBJZ-UHFFFAOYSA-N 454.577 2.221 10 20 JECD C[C@]1(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CCN(C(=O)OCc2ccccc2)C1 1846251087 RJSXKBMEAFOGJV-VWLOTQADSA-N 494.548 2.359 10 20 JECD O=C(c1cc(F)ccc1Br)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847050908 LIBVCFMBGRZOIS-UHFFFAOYSA-N 486.388 2.266 10 20 JECD O=C(c1ccc2[nH]nc(C(F)(F)F)c2c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055167 JAZIQVZTNCMHKK-UHFFFAOYSA-N 497.524 2.259 10 20 JECD O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056274 YYFWNEVPARRJPL-UHFFFAOYSA-N 490.010 2.407 10 20 JECD COc1ccc(N2CCC(NC(=O)CCCNS(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 726562534 MAQAHDXIFMZWKR-UHFFFAOYSA-N 489.594 2.310 10 20 JECD CCOC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1F 728583704 AXEIKWQRFNJDGA-INIZCTEOSA-N 463.531 2.183 10 20 JECD C[C@H]1CN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2)C[C@@H](C)O1 747557429 MBMASRMCSLVUNP-ZVDOUQERSA-N 493.608 2.257 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H](C)NC(=O)c3ccoc3)cc2F)C[C@@H](C)O1 917317421 FHUAWMAZVIRRNI-XHSDSOJGSA-N 461.490 2.010 10 20 JECD C[C@H]1CN(S(=O)(=O)N2CCN(Cc3c(O)ccc4oc5c(c34)CCCC5)CC2)C[C@@H](C)O1 917427721 IAHNMARKPPOLOF-CALCHBBNSA-N 463.600 2.489 10 20 JECD O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918340986 ZPWNOYQSISLHEO-UHFFFAOYSA-N 486.619 2.369 10 20 JECD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918615145 LTMYMBJFEGPEJU-UHFFFAOYSA-N 461.462 2.329 10 20 JECD Cc1ccc2ncc(C(=O)OCC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c(=O)n2c1 919059022 CHYPANPLMAVYDY-IRXDYDNUSA-N 482.512 2.229 10 20 JECD CO[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1)c1ccccc1 1777847483 BROGRMUJHPRGTE-MEKIYTOJSA-N 455.511 2.008 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cn2c(Cl)cccc2n1 1778501643 UONBFARAUMMCHS-WAIKUNEKSA-N 485.928 2.235 10 20 JECD O=C(COc1cc(Cl)ccn1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782006986 DVNCKNYXMDDQDE-NRFANRHFSA-N 482.320 2.322 10 20 JECD Cn1c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc2ccccc21 1785506003 XERWVXUHGCZFTJ-TTZARTBGSA-N 477.517 2.452 10 20 JECD Cc1cscc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792219490 XIKOKOXHUHNVDM-NHXJEQGQSA-N 458.536 2.480 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@H](F)c1ccccc1 1793722038 JASLEFCOROXNQM-KVMWQXBQSA-N 456.470 2.117 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1 1793945060 COSSTEXVRYUUKH-MUJYYYPQSA-N 476.580 2.026 10 20 JECD O=C(CCc1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1794186081 VHCKSNLRLPTOSF-PEJVOKEYSA-N 458.536 2.101 10 20 JECD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)c(F)c(OC)c1F 1796604270 XQTPIDHOGSNILK-CLLJXQQHSA-N 463.437 2.354 10 20 JECD CC(C)(C)c1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cn1 1796761396 RZZFMZLARISASD-HBCWATKFSA-N 474.945 2.356 10 20 JECD CC(C)[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(F)cc1 1800879907 BWWAHKXKXSXURC-YVCBRDFCSA-N 457.502 2.275 10 20 JECD O=C(Cn1cccn1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1807640275 OUWSIHOIODIUQQ-FOIQADDNSA-N 455.902 2.363 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(Cl)cc3nn[nH]c23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995040 MKJLQIXFMSYUCY-ZSEKCTLFSA-N 493.911 2.446 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnn3c2CCC3)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468860 FLBFTFXBRLBZRK-UQBPGWFLSA-N 497.559 2.337 10 20 JECD Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c(C)n1 1811225454 ZADMJQQHEGAFQS-UTKZUKDTSA-N 483.619 2.273 10 20 JECD O=C(CCNC(=O)c1ccccc1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1814023822 RODSTTPBJUOLRA-YADARESESA-N 489.532 2.028 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccnnc2)[C@@H]1c1cccnc1 1814162663 OZKXJRYEATYTRY-NWWLCNQNSA-N 461.478 2.021 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)c3cn4ncccc4n3)sc2C1 1818466572 UKWJDEFSAVQYNL-GBVBUYCNSA-N 492.517 2.242 10 20 JECD CN1CCN(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CC1 1821293396 KNRFECXDQBPPFP-GOSISDBHSA-N 490.992 2.418 10 20 JECD C[C@H](Cc1ccco1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1826965141 BMBZIVUXPFDOJV-NEPJUHHUSA-N 478.621 2.387 10 20 JECD Cc1ccn2c(=O)c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)cnc2c1 1827427445 MLCSKSVOELKLEM-HXUWFJFHSA-N 491.548 2.356 10 20 JECD Cc1c[nH]c(C)c1CCC(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828243772 VIYFIDNOZIKTEV-CYBMUJFWSA-N 491.664 2.493 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cccnc1Cl 1833007655 BUCVVXVLNGHJBE-UHFFFAOYSA-N 459.934 2.040 10 20 JECD O=C(Cc1cccc(Cl)n1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1833179048 WUBTUKFAJRDJJU-QFIPXVFZSA-N 496.347 2.112 10 20 JECD O=C(Cc1ccc(F)c(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431600 ASWKSCZAPFAQPB-QHCPKHFHSA-N 496.894 2.342 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1846844366 MMIMBZSECCWYSU-VQHVLOKHSA-N 451.479 2.292 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc3c(c2)nnn3C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 729733886 LLPJJONAPPHYCP-UHFFFAOYSA-N 467.507 2.063 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)CC2)cc1 787907814 HLBIQHCUFZJBBS-UHFFFAOYSA-N 495.985 2.105 10 20 JECD C[C@H](OC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 845930708 VNTNEIISDLDLAT-DHLSRXIRSA-N 498.491 2.139 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n2)o1 861730563 ZJFASYNSLOJEHE-UHFFFAOYSA-N 460.493 2.066 10 20 JECD Cc1cc(C(=O)COC(=O)C[C@H]2CCCO2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 915563649 XJYPZCDUOOEQNE-HXUWFJFHSA-N 490.578 2.410 10 20 JECD COCCNC(=O)c1ccc(NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1Cl 917821122 XAXZVOOENYFWEX-UHFFFAOYSA-N 460.962 2.486 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2c3ccccc3NC(=O)C23CCCC3)c1 920636980 RMRUBAXSTFYHRI-UHFFFAOYSA-N 473.507 2.219 10 20 JECD O=C(COC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 920683872 XKMSFPGXGGTILQ-HSZRJFAPSA-N 483.540 2.055 10 20 JECD COc1ccnc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1779705169 JZFCTIQJLANNRL-PLOYQGSLSA-N 483.521 2.048 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1782008188 RRKVVNQNRXTHNG-HSZRJFAPSA-N 483.912 2.089 10 20 JECD Cc1ncc(/C=C/C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)s1 1782668783 OKSDTERQYJBLCY-UVBQMJSJSA-N 458.540 2.099 10 20 JECD CO[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccccc1 1786468248 MHZKWHAXXBWTAC-KLQKXZHKSA-N 482.533 2.184 10 20 JECD CC[C@@H](NC(N)=O)C(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788672417 AXVKAVMYXQYARQ-LJQANCHMSA-N 476.537 2.360 10 20 JECD O=C(NC1(c2ccc(NC(=O)[C@@H](O)N3CCOCC3)cc2)CCC1)c1cc(O)c(O)c(Cl)c1 1789557324 QJMYHNYULQVBPE-JOCHJYFZSA-N 475.929 2.150 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)COC4)C[C@@H]21 1792219096 JJJMYKNVQPNIGI-FYKZNKNVSA-N 480.517 2.140 10 20 JECD CCN1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)CC1 1792296213 OLEIRGKWPRHPRF-KNBMTAEXSA-N 465.978 2.076 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccn(C(F)F)c1=O)C1=NN(c2ccccc2)C(=O)C1 1798669420 UQJJODSATBXHAG-ACHSLPGTSA-N 483.475 2.288 10 20 JECD CC(C)N1CCC(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)CC1 1804139412 GBKCRYNKOZNCIL-AUSIDOKSSA-N 467.570 2.328 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)nn1C(F)F 1807994514 HINDYVDFXYWVCY-AUUYWEPGSA-N 472.452 2.421 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n(C)n1 1808463255 BDUWSUKGFBEEEZ-CYFREDJKSA-N 485.548 2.236 10 20 JECD CC(=O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808464681 NVGGOHXALSROPH-CVDCTZTESA-N 475.549 2.496 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(Cl)c2nncn2c1 1810229764 FDZTYWFWTAUCAY-VBKZILBWSA-N 493.911 2.217 10 20 JECD CCOC(=O)N1CCC(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)CC1 1814059769 JQGBTTPFESUMEI-PGRDOPGGSA-N 497.552 2.076 10 20 JECD Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1814186772 WWPWTAJPXYOSCG-WMZHIEFXSA-N 482.631 2.499 10 20 JECD COC(=O)c1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)s1 1816727247 IJOSHQKOMCACGL-LLVKDONJSA-N 488.547 2.266 10 20 JECD N[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cccnc1 1817411782 NVOACSOUPWURSY-DOTOQJQBSA-N 451.487 2.007 10 20 JECD COCc1oncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1817799960 MDXLBOKKBKLOSN-CYBMUJFWSA-N 494.533 2.296 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCCCC2=O)[nH]n1 1823475960 MUFVVYPWNXFLMN-SYJIQKIWSA-N 483.525 2.245 10 20 JECD Cc1noc(C)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823495946 GJKYWBNMUUVEKF-CYBMUJFWSA-N 462.557 2.181 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCS2)[nH]n1 1823500519 CLVWDWDTYXMMJR-OLZOCXBDSA-N 453.615 2.158 10 20 JECD Cc1nnc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)o1 1827116491 VWEUCOHGUOPDFD-OAQYLSRUSA-N 478.553 2.333 10 20 JECD CC(=O)Nc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)c1 1827738400 GOBITPOLJQJMKF-HNNXBMFYSA-N 467.507 2.447 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)Cc3noc4ccccc34)CC2)CC1)c1cc(O)nc(O)c1 1834986939 LRXJXWIOKWKODX-UHFFFAOYSA-N 479.537 2.062 10 20 JECD O=C(C[C@H]1CNc2ccccc2O1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838029687 BFDCOHFMOTXRAG-FQEVSTJZSA-N 496.564 2.368 10 20 JECD O=C(c1cccc(N2CCOCC2)n1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501113 AYUQZQXCSIXCDO-UHFFFAOYSA-N 472.929 2.114 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730590894 WDASZMFGVSMGGT-IBGZPJMESA-N 469.513 2.227 10 20 JECD CN1CCCc2cc(CNC(=O)N3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)ccc21 746984190 BBTROGFTNIKHKO-UHFFFAOYSA-N 486.623 2.290 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(C(=O)NC(C)(C)C)cc3)CC2)cc1 915744722 UAYFGYSSDWMXOE-UHFFFAOYSA-N 495.624 2.491 10 20 JECD COc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1[C@]1(C)NC(=O)NC1=O 917928119 VNNNEGMQOAVKNG-QHCPKHFHSA-N 474.583 2.415 10 20 JECD C[C@H](CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)NC(=O)c1ccccc1 918897960 YLJAGUGAPYKAAE-QGZVFWFLSA-N 457.502 2.030 10 20 JECD CCCNC(=O)C1CCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 919744760 KUUXIERSRWYKPG-UHFFFAOYSA-N 490.538 2.480 10 20 JECD Nc1ccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1[N+](=O)[O-] 919762134 UZXFQRNBJVWLQA-UHFFFAOYSA-N 451.462 2.363 10 20 JECD COc1ccc(C(=O)NC2=S=C(C(=O)Nc3ccc(CCS(C)(=O)=O)cc3)C=C2)cc1 1127270479 IXIYVFICVXFWHO-UHFFFAOYSA-N 458.561 2.256 10 20 JECD COC(=O)c1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)s1 1780900233 LUFSOXWHPOMIJA-QFIPXVFZSA-N 494.953 2.286 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnn3ccncc13)C2)c1cc(O)c(O)c(Cl)c1 1781122727 GWPCBFHBDCXXMZ-AUSIDOKSSA-N 485.928 2.235 10 20 JECD Cc1cc(C)n2ncc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)c2n1 1782005654 SYMDYICBABYOLP-HSZRJFAPSA-N 485.928 2.168 10 20 JECD COc1cccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)CCO3)c1C 1783636912 QTLRGYHWHAXKGS-MHZLTWQESA-N 490.560 2.169 10 20 JECD C[C@@H](Sc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510266 JCHKMKUIRIOCSH-ZREFOWHASA-N 485.562 2.222 10 20 JECD COc1cc(F)ccc1CC(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1785659720 CWHKKOYNWOGYQX-OGPASDKVSA-N 486.496 2.037 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)c3ccco3)[C@H]2C1 1790620550 QUBFPMQNOHXTAH-XQVRWPTMSA-N 478.448 2.181 10 20 JECD Cc1cc(Cl)ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792237885 ZUGGVDIOJFTMMR-JQFCIGGWSA-N 482.027 2.102 10 20 JECD COc1ccc2oc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)cc2c1 1797349938 RKDYKTQUJHZCTA-DMTDJGTHSA-N 494.500 2.475 10 20 JECD COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)nc1Br 1799072511 BTDNNXUNTHGXAV-CLLJXQQHSA-N 477.315 2.225 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)Cc2cccnc2)C3)cc1 1799620271 DUVPFSREZVFPBN-AYEHBTSNSA-N 487.604 2.262 10 20 JECD CN[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1)C(=O)O 1800513348 HBCDQULNZCPFGW-FKVLARQCSA-N 452.555 2.409 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1NC(=O)C2 1801067829 CBUFCWWOZFFULQ-FJXIAYRNSA-N 463.490 2.263 10 20 JECD Cc1nn(C)cc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1803826252 ZCWSYUIHSUXPRK-CYFREDJKSA-N 485.548 2.236 10 20 JECD COc1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccc1O 1807995027 MIDZTXPKADUXMD-ZHRRBRCNSA-N 464.478 2.235 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CNc2ccc(F)cc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995454 YWSYLNKLZBMHFJ-QMHKHESXSA-N 465.485 2.459 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3cnc4ccc(F)cn34)CC2)C1 1810554753 XDZJBFHTFIPZAZ-UHFFFAOYSA-N 453.474 2.438 10 20 JECD O=C(Cc1ccc2c(c1)CCO2)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1812823766 FPDLKSNDINSNRA-DFBJGRDBSA-N 474.517 2.385 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc(C(F)F)no2)[C@H]1c1cccnc1 1814189041 JYMSYCDLDKSSLF-SJCJKPOMSA-N 495.533 2.187 10 20 JECD COc1cscc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814189473 QIHAZSBWNFHLNZ-IFXJQAMLSA-N 490.632 2.332 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)n1cccc1 1814191821 NGVHPHAFDQWDTD-SYNHAJSKSA-N 471.608 2.010 10 20 JECD CC(C)[C@@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145728 HWANMQGECHDUJE-WIYYLYMNSA-N 452.515 2.212 10 20 JECD COc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)nn1C 1820379277 BOEJZJNLSNQCNL-DYLHUKMJSA-N 482.497 2.288 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccc(O)c(F)c3)sc2C1 1823316703 GJDPEAOYKAHXPA-JTQLQIEISA-N 480.568 2.074 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ncccc2F)[nH]n1 1823500088 NMYRBGBTYXLJMM-CYBMUJFWSA-N 462.532 2.110 10 20 JECD C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1823507195 NHBNEESSILBFHV-KDOFPFPSSA-N 478.509 2.340 10 20 JECD O=C(Cc1cnccn1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714473 AYXHUOWCUJQUGT-HSZRJFAPSA-N 474.565 2.432 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3[nH]ncc13)CC2 1828242859 SOUCVQICWGKBPP-SNVBAGLBSA-N 486.604 2.106 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876539 HTMOYTVBRHALFI-RQMBKDMJSA-N 473.570 2.351 10 20 JECD O=C([C@@H](O)c1ccccc1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898654 USHVDFCWCWOPCU-NQIIRXRSSA-N 475.636 2.200 10 20 JECD CCCNC(=O)CCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833424226 DNKHXDUDYYZSOG-UHFFFAOYSA-N 495.020 2.243 10 20 JECD COc1ncccc1CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837169305 QHPUHUJDZGNPLD-UHFFFAOYSA-N 484.553 2.141 10 20 JECD CCCc1onc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839434121 OWKOFGBJSDNTFX-QHCPKHFHSA-N 493.944 2.384 10 20 JECD CN1CCC(C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)CC1 1843330535 DJVWWULRJWUZOG-JOCHJYFZSA-N 499.656 2.250 10 20 JECD O=C(C[C@@H]1COc2ccccc2O1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843440791 ALMFUMQWDRHSKM-LJQANCHMSA-N 474.517 2.213 10 20 JECD CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1F 727612063 DUBPYTBQIYKJLN-OAHLLOKOSA-N 468.478 2.220 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCN1c1ncnc2sccc12 728515327 AHODMPBMJHPWNX-IBGZPJMESA-N 471.608 2.211 10 20 JECD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)cc2)CC1 731131994 QXNPAOALASIDQF-UHFFFAOYSA-N 484.622 2.413 10 20 JECD Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1C(=O)NC(C)C 731285870 OFFKSBBTINXONF-IBGZPJMESA-N 479.581 2.090 10 20 JECD C[C@H](NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)NC(C)(C)C 749010766 RXSUWAZEHVELIS-INIZCTEOSA-N 457.554 2.045 10 20 JECD NC(=O)c1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1 784067728 CXJXDYLDZWWZRD-CQSZACIVSA-N 463.581 2.435 10 20 JECD Cc1cc(C(=O)OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c(C)n1-c1ccccn1 914903504 MSABCDXXRKRWGY-UHFFFAOYSA-N 476.533 2.435 10 20 JECD COc1ccc([C@@H](CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)N2CCOCC2)cc1 918118523 TWFQYOHHCHPYAO-WIOPSUGQSA-N 495.624 2.270 10 20 JECD O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918643792 PLMQOXYILIDXML-UHFFFAOYSA-N 488.654 2.196 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)C2)C1=NN(c2ccccc2)C(=O)C1 1778127635 ULKUOXOSIJOMEW-DTFMIDNASA-N 480.590 2.168 10 20 JECD O=C(CCCCn1cccc1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1779483831 QFAIERCWDQTGST-WZONZLPQSA-N 492.667 2.033 10 20 JECD Cc1cccn2ncc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)c12 1782008738 JLSGGNXMXZQHRI-HSZRJFAPSA-N 470.913 2.465 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(F)nc1)C2 1783221900 RIFCJSCRLJCPOX-ZEPKXSBXSA-N 471.485 2.178 10 20 JECD O=C(Cc1ccccc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1786513486 QLPIASPKVQKOGP-OXEMSUKJSA-N 470.497 2.178 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(Br)CC3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243760 KCBFELPVLVQXHI-WBIUFABUSA-N 473.751 2.272 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790245503 IJBYCUCHDUGOBD-QQDKQVRDSA-N 465.978 2.217 10 20 JECD CC(C)(C)n1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)n1 1792218883 WCRRMBKAQDPPFH-SBTJSFKZSA-N 484.553 2.062 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1nccc2[nH]ccc12 1796208739 YMVKKVSEXJSAPR-IVWMJMPLSA-N 456.886 2.145 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccnnc1)C2 1796750240 RYWCNGKQABHUIR-CIAFKFPVSA-N 494.596 2.447 10 20 JECD COc1cc(OC)c(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c1 1799769208 SJCRNLDZBHGDSC-NXCRSVRDSA-N 494.903 2.425 10 20 JECD C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2)Oc1ccccc1 1801455122 ONCMBFBFZYBVPO-WCXIOVBPSA-N 461.609 2.343 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1801930970 QNQUIBRPBDHWOB-RLDAGSACSA-N 489.528 2.365 10 20 JECD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)n1cccc1C=O 1804285234 IYJQDZBOVPOQAA-OUVYDVBVSA-N 453.495 2.330 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995242 FOMLRVNIPQUTDT-ZHRRBRCNSA-N 462.462 2.250 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3n(n2)CCCC3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996594 WGOYGBAHLLQTGL-OPAMFIHVSA-N 462.510 2.054 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCc2cncnc2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808466890 BTZFOOCHCNOPHZ-QFQXNSOFSA-N 497.559 2.303 10 20 JECD Cc1nocc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808468033 MYLYZRNOWKGQBD-WZONZLPQSA-N 472.505 2.491 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H](CNC(=O)C2(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1809636694 MWWLYUWLGSXPQQ-CJNGLKHVSA-N 486.541 2.290 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2cncn2c1 1810011488 OBFFFNTXUYKYQD-AOMKIAJQSA-N 458.478 2.169 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n[nH]1 1811477576 SCXNYIFEJMHRBE-UDGCLTLRSA-N 463.494 2.263 10 20 JECD CC(C)n1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n1 1811577851 VXVAKUWFOIBWCT-HRAATJIYSA-N 450.499 2.299 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc(F)cc1 1811903199 ZEVCFYGOXUASEB-OXQOHEQNSA-N 472.567 2.401 10 20 JECD COC[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817363575 JGHMMUIPJQPBRU-ZIAGYGMSSA-N 455.540 2.131 10 20 JECD COc1cscc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1817796476 PPPXDNXXZYJLQT-SECBINFHSA-N 482.634 2.299 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1c[nH]c2nccc-2c1 1817900278 FKRQNXQNVMDJQJ-OAHLLOKOSA-N 483.579 2.404 10 20 JECD COc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)nn1C 1823476044 PVVOMKMWPOJUIM-DYLHUKMJSA-N 482.497 2.288 10 20 JECD C[C@@H](Cn1ccnc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1826835596 BQGUECRNFGPUSW-XZRLNXKWSA-N 483.550 2.418 10 20 JECD COc1nn(C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715447 UPSLCHQWUFKRSJ-QFIPXVFZSA-N 492.580 2.455 10 20 JECD Cc1ocnc1C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828197816 LSNVDDVVOKWFKM-QDBLGGKGSA-N 456.480 2.496 10 20 JECD COc1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1 1828247186 NZUUKUSRSRHHRW-LBPRGKRZSA-N 476.605 2.238 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccsc1)CCO2 1833145618 CYHSDTLFNLVQBO-GQPYDGMQSA-N 486.546 2.048 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccnc4c(O)cccc34)CC2)CC1)c1cc(O)nc(O)c1 1834987498 WKMNVHDSPSCOHG-UHFFFAOYSA-N 491.548 2.246 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1)c1cccc(F)c1F 1836317338 HLEULHNIHKPAPZ-UHFFFAOYSA-N 496.605 2.010 10 20 JECD Cc1ncc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)[nH]1 1836966850 HMMYIIPBEXTTFE-HWKANZROSA-N 470.526 2.161 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)n(C)n1 1837463493 WJLGSEFZMNZZDF-UHFFFAOYSA-N 492.580 2.134 10 20 JECD CCOC(=O)/C=C/C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837638551 DKCNSCNNBAPNQT-ONEGZZNKSA-N 480.945 2.483 10 20 JECD CCc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)s1 1837724042 HFXAYCZOPDQXTA-OAQYLSRUSA-N 481.958 2.154 10 20 JECD CC(C)(C)c1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)[nH]n1 1838029994 XTZMEKYROGQIDT-UHFFFAOYSA-N 471.558 2.439 10 20 JECD COc1cc(C)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839435333 HFXZZQVEAORPOI-XMMPIXPASA-N 490.940 2.452 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)C1 1843251369 XXOXRCNPEFOOSJ-MRXNPFEDSA-N 474.558 2.347 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cc(N3CCCC3)ccn2)C1 1843507142 SWJKIYYESSZUOO-UHFFFAOYSA-N 472.549 2.292 10 20 JECD COc1ccc(CC(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c([N+](=O)[O-])c1 1845259783 GTEUYMYMISQLRI-UHFFFAOYSA-N 491.504 2.142 10 20 JECD O=C(C[C@@H](c1ccccc1)N1CCOC1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 728268298 LGEWRWNUKHRXFD-NRFANRHFSA-N 457.552 2.121 10 20 JECD CC(C)[C@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)S(=O)(=O)C1CCCCC1 728516362 QKXZMAMIOYGQKZ-OAQYLSRUSA-N 470.657 2.310 10 20 JECD CC[C@H](NC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)c1cccc(S(N)(=O)=O)c1 729230824 OVVVYQBBFYQDJJ-QHCPKHFHSA-N 489.642 2.305 10 20 JECD CNC(=O)CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 729785164 VYBZVLAGBHJTKL-UHFFFAOYSA-N 456.568 2.010 10 20 JECD CC(C)[C@H](C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCCC1=O 748565104 QISWTGGMLCYERC-JOCHJYFZSA-N 454.550 2.206 10 20 JECD CCOC(=O)C1=C(COC(=O)c2ccc(C)c(O)c2O)NC(=O)N[C@H]1c1ccc(OC)cc1 750620446 YRKMEQLZKLFHCL-SFHVURJKSA-N 456.451 2.443 10 20 JECD C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cc(F)ccc1N1CCN(C)CC1 857443560 GRYGIQHEZPPVSS-CQSZACIVSA-N 450.536 2.146 10 20 JECD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 914454529 CGNUCHLWJVXIEI-IBGZPJMESA-N 472.567 2.040 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2)C1 918000949 ULRKHPIBOCILOJ-SZPZYZBQSA-N 492.624 2.089 10 20 JECD Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918334482 HAVAVQHFMPVZQU-UHFFFAOYSA-N 493.651 2.237 10 20 JECD O=C(COC(=O)COc1ccc2ccc(=O)oc2c1)NCc1ccc(N2CCOCC2)c(F)c1 918792906 OWVWSTYCRLIVNE-UHFFFAOYSA-N 470.453 2.007 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O 919750126 QHISGFGINFBHPQ-HXUWFJFHSA-N 461.971 2.244 10 20 JECD Cc1ncncc1C(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 1317976494 CNMYNYATEIGVAQ-UHFFFAOYSA-N 498.561 2.253 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)Cn4cncn4)C3)C2)cc1 1779226597 KFDYBIKXYHPQGL-BCHFMIIMSA-N 476.581 2.465 10 20 JECD CC1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CC1 1793386023 RCYCAHYLMHYWHM-NUZGMZIFSA-N 451.571 2.149 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cccc(C(F)(F)F)c1)C2)c1cc(O)nc(O)c1 1796136170 YADNLWSESOMUQZ-BZGPJFGBSA-N 477.439 2.428 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799766884 CFNPMNCGADXANW-LJGDNWOOSA-N 497.976 2.115 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CNc3ccccc32)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995345 YEAUTUBFTPPUBG-NVVBAYIOSA-N 459.506 2.417 10 20 JECD CC(C)n1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n1 1811577853 VXVAKUWFOIBWCT-IERDGZPVSA-N 450.499 2.299 10 20 JECD Cc1nnsc1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814163495 DYQZFXZGBIVTNO-JINHGQCCSA-N 481.534 2.391 10 20 JECD Cn1cc(CCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)cn1 1815431782 OKPXNBJJBCXPRH-INIZCTEOSA-N 491.577 2.214 10 20 JECD Cn1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)n1 1817563312 SQVQBMBTJYBHBD-JKNJVXJCSA-N 466.498 2.208 10 20 JECD Cc1c(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)cnn1C 1828195776 VRPYEDDPBVMUOC-FLUIGGAXSA-N 469.523 2.241 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900488 VEYVWOWJNBWAAO-APWZRJJASA-N 490.651 2.329 10 20 JECD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)n[nH]1 1836148010 GIBRNFJHGBIQES-UHFFFAOYSA-N 461.950 2.282 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348306 MBDLRTUIMNQXNY-ZBLYBZFDSA-N 496.608 2.031 10 20 JECD CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1845409799 UWVXFWDSWCPLNN-UHFFFAOYSA-N 499.467 2.046 10 20 JECD CNS(=O)(=O)c1ccc(NCCCN2CCN(c3ccc(OC)cc3)CC2)c([N+](=O)[O-])c1 18063078 ARJLFTDOXNJGPC-UHFFFAOYSA-N 463.560 2.136 10 20 JECD CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1=O 21278132 JGXQOSKZESDPNF-XMMPIXPASA-N 454.502 2.340 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)c3cc[n+]([O-])cc3)c2C)c1 22141758 MSHXZOHEIQWVCA-UHFFFAOYSA-N 466.446 2.340 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)CC2)cc1 742921674 XJPSAVBXLMXKBV-XMMPIXPASA-N 486.638 2.177 10 20 JECD NS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 748680864 FGYLSALBTOSIPO-UHFFFAOYSA-N 453.523 2.030 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(NC(=O)c4ccoc4)c3)cc2)C1 749029117 BZTRXLRFVOIFAD-GOSISDBHSA-N 489.532 2.489 10 20 JECD C[C@H](OC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 750000291 GQIIASFUQASPRZ-KBPBESRZSA-N 455.488 2.157 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3=NC=CN4CCS(=O)(=O)N=C34)c2C)cc1 844201038 IQKYXZFPLQPOJS-UHFFFAOYSA-N 454.508 2.098 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 899391086 FVXYDIDGCFPNBC-YADHBBJMSA-N 457.571 2.464 10 20 JECD CN(CCCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)S(C)(=O)=O 915179096 NGEVWLDSJTZQHJ-OWBHPGMISA-N 461.656 2.127 10 20 JECD CNC(=O)c1ccc(CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C2CC2)cc1 916966376 CGXOADQYKDNXKR-UHFFFAOYSA-N 454.546 2.303 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)C(=O)N(C[C@H]3CCCO3)C4=O)cc2)C1 917834213 ZFBJQMUZZIBESZ-TZIWHRDSSA-N 490.560 2.093 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3sccc3S(=O)(=O)N3CCCC3)cc2)C1 917834807 QOIZYENZIOHFNZ-QGZVFWFLSA-N 476.624 2.164 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CCNC(=O)c3ccc(Br)cc3)nc12 918885879 QASHCXNFWJGMLE-UHFFFAOYSA-N 491.298 2.237 10 20 JECD CCC(=O)N[C@H](CCSC)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919700919 GZCWZFUHSAHYRM-LJQANCHMSA-N 474.606 2.206 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCCN3CCc4ccccc4C3)CC2)cc1 920254331 KJTIYSLNIOITPA-QXMHVHEDSA-N 462.594 2.465 10 20 JECD C[C@H](NC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 920868602 GBLFRRBDRNCDCV-NRFANRHFSA-N 465.598 2.228 10 20 JECD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1N/C=C1\C(=O)NC(=S)N(CC(C)C)C1=O 920976927 SBDOBTNQTOTIKU-SFQUDFHCSA-N 464.613 2.365 10 20 JECD CCC[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)n1cccc1 1778046032 FCVXDJMFVKIAPN-YZZKKUAISA-N 492.667 2.204 10 20 JECD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)cc(C)c1O 1784993919 MJYYBYKXUYTMFF-SANMLTNESA-N 476.533 2.245 10 20 JECD O=C(/C=C/c1ccccc1)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785508214 ARCACPMBFVLMFB-CSVIWTMZSA-N 450.491 2.360 10 20 JECD CC(=O)NCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792314783 WGDZWONPQOAWQM-UHFFFAOYSA-N 476.624 2.143 10 20 JECD O=C(COC1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1792790066 IWYNJRPLTIRBEI-YVWYUNDQSA-N 452.935 2.304 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(F)cc(F)c1 1796283453 CPNOXSDUDQAINF-MUJYYYPQSA-N 453.536 2.006 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)ccc1Cl)C2)C1=NN(c2ccccc2)C(=O)C1 1796480832 LGRLLMOVQLBHAP-YEZVWNJWSA-N 484.915 2.475 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1796749257 RAWAIQPWCGNYBO-FAZHRNDASA-N 498.624 2.235 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1sccc1Cl 1798283473 UBJPXVNRQRHXPO-HBCWATKFSA-N 472.954 2.398 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccc1Br)C2)c1cc(O)c(O)c(Cl)c1 1799769298 GDUIITRNNZOCBC-DRXBFXEBSA-N 496.745 2.426 10 20 JECD CCOC(=O)/C=C/C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1806300384 RHOPJHSKBNDCHO-HCWXEQQBSA-N 481.505 2.037 10 20 JECD CCc1ccnc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1807889714 KFODCWBATHKRPY-UTKZUKDTSA-N 483.619 2.219 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1c[nH]c2cnccc12 1810066096 DRQSJBCFDMQZLW-BTYIYWSLSA-N 494.602 2.138 10 20 JECD Cc1nccnc1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1811090482 WPAXKQPZZMAPGG-IAADTXTGSA-N 475.505 2.330 10 20 JECD O=C(CC12CCCN1CCC2)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816727235 HSYZJQGMMUGENI-AWEZNQCLSA-N 457.556 2.194 10 20 JECD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817847781 XZHPRJPILBLKOE-ACJLOTCBSA-N 496.499 2.479 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2nonc2c1 1818170987 BARDUJQZGRBUIQ-NSHDSACASA-N 452.452 2.025 10 20 JECD Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)ncc1[N+](=O)[O-] 1818263696 XFSDADODQFQKEW-OAHLLOKOSA-N 467.442 2.447 10 20 JECD COc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1 1822098868 OEBJVSCRYVDRQJ-LBPRGKRZSA-N 476.605 2.238 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccccn2)[nH]n1 1823496383 MDZRGFUILIEOCU-INIZCTEOSA-N 472.596 2.290 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)C2CCSCC2)[nH]n1 1823500972 LAYOQFOMCPUHFR-AWEZNQCLSA-N 467.642 2.405 10 20 JECD CS(=O)(=O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1826628590 BCRYCNBBBVXGGJ-MRXNPFEDSA-N 458.964 2.029 10 20 JECD Cc1ccn2c(=O)c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)cnc2c1 1828289925 NFNGVUQGYGURER-HXUWFJFHSA-N 491.548 2.356 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1cccc(F)n1 1835907612 AJYZKMCNHPXWHK-FNORWQNLSA-N 484.528 2.236 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)C1(C(F)(F)F)CC1)CCO2 1836721106 ZLQQQDPVLMJDCA-SFHVURJKSA-N 478.851 2.164 10 20 JECD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1)c1cccs1 1840375118 NSHLOXFGVBGGQP-BVZFJXPGSA-N 496.589 2.101 10 20 JECD C[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CC1 1840881517 DYUGIHUSROYNDX-YXNRMQQYSA-N 474.554 2.099 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)Cc2ccc(Br)cn2)C1 1842090911 FEIRBRUJYNIVOT-UHFFFAOYSA-N 496.365 2.383 10 20 JECD O=C(NCCC(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1)c1ccccc1 1845502534 KBGZFYVQOKMMPR-UHFFFAOYSA-N 457.914 2.388 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CC(c3ccccc3)=NO2)=NN1c1ccccc1 1847760466 KVFQPJJWEFAUSJ-RJGXRXQPSA-N 471.517 2.174 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)Cc4ccc(C)cc4)CC3)CC2)cc1 725865956 QSPCZQFTCBHKFX-UHFFFAOYSA-N 479.625 2.222 10 20 JECD COc1cc(OC)c(N)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1 726206626 OIDCGTLDJOLGNQ-UHFFFAOYSA-N 487.534 2.381 10 20 JECD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c2ccccc2O1 726725785 HVIQSKYFBKUNSX-QHCPKHFHSA-N 480.565 2.101 10 20 JECD Cc1cc(C(=O)OCCN2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c(C)n1-c1cccc(Cl)c1 727772240 WSGJDRKDZGCJPV-UHFFFAOYSA-N 497.983 2.456 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC[C@@H](c4nnc5n4CCC5)C3)cc2F)C[C@@H](C)O1 728915849 VYEOLGZMFCQBCW-QWFCFKBJSA-N 470.593 2.473 10 20 JECD CNC(=O)CCOc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 729785620 IREQYQUIZNZQNC-HXUWFJFHSA-N 455.511 2.053 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4OC)C3)CC2)cc1 742920411 JOXDBQWYUISFAN-IBGZPJMESA-N 482.581 2.004 10 20 JECD CN1CCN(C(=O)c2ccc(CNC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)CC1 916391053 ZJMCKCGVPSXWON-UHFFFAOYSA-N 465.598 2.252 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(I)cc3)cc2)C1 917930268 OSHPAGPONCRMSN-OAHLLOKOSA-N 499.374 2.471 10 20 JECD COc1cc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1OCC(N)=O 918216063 NVCSPEQBNJTHOY-HZPDHXFCSA-N 474.533 2.311 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(N4CCNC4=O)cc3)cc2F)C[C@H](C)O1 919051124 WFUSSWYBFBODHP-IRXDYDNUSA-N 484.528 2.442 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(c4ccc(Cl)cn4)CC3)cc2)C1 921243204 PFDAWXZJTYIMRZ-GOSISDBHSA-N 456.978 2.469 10 20 JECD COc1cc(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c(F)c1 1777852808 WACMAVWHRWDSKM-UZUQRXQVSA-N 477.464 2.221 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)c1ccccc1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126544 ZXRDDPMIIOCLOF-LSCGWGKXSA-N 490.560 2.027 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc2ccccn2n1 1778484116 ABWIEVQOHMBQAP-ZYHKADTASA-N 492.532 2.292 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3c(Cl)cccc3Cl)C2)C1 1780516901 MKVBYWSQYUBBGT-IBGZPJMESA-N 488.418 2.297 10 20 JECD C[C@H](Oc1cccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1782570818 BQCGGOSAKDPUOR-UNUPSNOVSA-N 497.548 2.193 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)cc1)CCO2 1785544794 AQOBHEUJHOBNDH-IBGZPJMESA-N 487.525 2.009 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)[C@@H]1CNc2ccccc21 1786880881 MPNKKLKLXFOTDO-BWTSCUGNSA-N 479.533 2.006 10 20 JECD Cc1snc2sc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)cc12 1787280599 IFPGWBQNAWIDQH-CQDKDKBSSA-N 474.564 2.380 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3ccc4nncn4c3)cc2)CCC1 1789321797 HORFJBIAPBFEIN-UHFFFAOYSA-N 480.575 2.337 10 20 JECD Cc1nc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)cs1 1796932473 BVZCBZRAZHKNCZ-IDHPPYADSA-N 451.552 2.425 10 20 JECD COC(=O)c1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1802591195 CEVFPQUYOLSRSF-LDEDEHCMSA-N 480.517 2.484 10 20 JECD C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)Oc1ccccc1 1804336277 NSENTXFRUCYCSG-NXOAAHMSSA-N 461.609 2.343 10 20 JECD COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1806587714 KTRLYDHJUMDNKX-MBSDFSHPSA-N 498.630 2.199 10 20 JECD Cc1nn[nH]c1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1807808149 RTJRTFVHXIDGDJ-SCLBCKFNSA-N 456.890 2.206 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2CCOCC2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468518 RXKJGDUVOXYFMD-GBXCKJPGSA-N 475.549 2.307 10 20 JECD CC(C)[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1814945116 XJLLZMCVWKUHEZ-RXVVDRJESA-N 452.515 2.212 10 20 JECD Cn1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)cccc1=O 1816317978 RXDIPKBAMKOZHR-PXUDHTSWSA-N 479.493 2.245 10 20 JECD C[C@@H](Cn1cncn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1819539740 HEQVOHLRHLMSBC-JXFKEZNVSA-N 489.540 2.123 10 20 JECD C[C@@H](Cn1cncn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1820076050 AEMUOLYGEWGRTH-CMPLNLGQSA-N 476.946 2.361 10 20 JECD COc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c(O)c1 1820459930 QGDDGFYUQYNSID-HNNXBMFYSA-N 489.579 2.290 10 20 JECD CCOc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)nn1 1821760518 HPTRYPKXGFMTDI-FAFAAHBOSA-N 497.533 2.388 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)C3CCC4(CC3)OCCO4)sc2C1)c1cc(O)nc(O)c1 1824899932 NLTHXLRHAOOMMM-AWEZNQCLSA-N 474.539 2.108 10 20 JECD C[C@H]1CCc2c(C(=O)N[C@@H]3CCc4nc(NC(=O)CN5C(=O)CSC5=S)sc4C3)n[nH]c21 1828244840 SSEPOJPCDBWZSQ-VHSXEESVSA-N 490.636 2.002 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)CC23CCCN2CCC3)CC1 1830265143 CVRAERCRQIODEJ-LJQANCHMSA-N 492.711 2.485 10 20 JECD CC[C@H](NC(N)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830737176 KSEMLDFPQDQTCK-IRXDYDNUSA-N 466.966 2.431 10 20 JECD CN(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)nc1 1832896811 QOJXNBVTTLAAHR-LJQANCHMSA-N 489.667 2.241 10 20 JECD Cc1cnoc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902071 XIOUDJYXQCCMQE-HNNXBMFYSA-N 450.586 2.077 10 20 JECD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)cc(O)n1 1835090015 CUTVWLJQQMXDCF-HWKANZROSA-N 496.564 2.111 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)CN3CCCCC3)CC2)CC1 1837800670 PHKUKGSBRQZFND-FNORWQNLSA-N 487.597 2.301 10 20 JECD CN1CCC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)C1 1838618443 FABOASQMYPLION-WSSFADSRSA-N 487.597 2.157 10 20 JECD O=C(/C=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432422 NMIGPOPGJBFBBY-SIAOZKNOSA-N 462.886 2.128 10 20 JECD C=C(Oc1ccccc1O)C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1843411280 OYEMZQZTHRVDNS-UHFFFAOYSA-N 460.490 2.281 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2[nH]cnc2-c2cccnc2)C1 1844671161 PRUJKYTYSIARNL-UHFFFAOYSA-N 469.505 2.082 10 20 JECD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1846962453 VELBCJUKSMRQJN-GOSISDBHSA-N 483.569 2.286 10 20 JECD Cc1cc(C)n(-c2nnc(SCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2N)n1 18804967 NHNQULKYWARENI-UHFFFAOYSA-N 473.518 2.301 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 21463362 MXVUHMMXWVRNKV-JOCHJYFZSA-N 470.503 2.307 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 104988089 AGMCKKAYILCZLV-UHFFFAOYSA-N 467.975 2.472 10 20 JECD COc1ccc(N2CCCN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)CC2)cc1 108576323 NSDIAWRJOMRQBH-UHFFFAOYSA-N 468.373 2.458 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)O)sc2Br)cc1 323829564 AGHXHPDWUDGPDE-UHFFFAOYSA-N 455.333 2.381 10 20 JECD CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 728949643 UPUAJXCGQMPFPL-NSHGMRRFSA-N 492.592 2.382 10 20 JECD COc1cccc(CNC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1O 729859180 IWYFCPQAMLPCGD-UHFFFAOYSA-N 470.551 2.187 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)C[C@](O)(c3nc(C)cs3)C(F)(F)F)CC2)cc1 747347436 UXIVAQLSSCMYLI-FQEVSTJZSA-N 487.500 2.492 10 20 JECD CC[C@@H](C)NC(=O)CN1CCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])CC1 913047016 JHHASRBMXYULOA-LLVKDONJSA-N 474.312 2.311 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3CCCN(C(=O)Cc4ccccc4)C3)CC2)cc1 914803263 FJFOSHJDAIHIHD-QFIPXVFZSA-N 479.577 2.368 10 20 JECD CCCNC(=O)CNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 916161819 PFJZJZYFTFGYIH-JYRVWZFOSA-N 456.387 2.293 10 20 JECD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCCS(=O)(=O)NCc1ccccc1)c2[N+](=O)[O-] 916386828 HFYVTLKEZVFVBJ-UHFFFAOYSA-N 493.497 2.220 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 917073056 WURQWFBFAQDWRO-UHFFFAOYSA-N 484.572 2.322 10 20 JECD COc1cc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc(Cl)c1OCC(N)=O 917394393 OHNSOXIHLHFDBH-QGZVFWFLSA-N 460.962 2.204 10 20 JECD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)ccc21 918140158 JRMGRPNLVZRKJC-GASCZTMLSA-N 454.502 2.392 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 918217635 HOQXEMCUTQCDBZ-UHFFFAOYSA-N 470.545 2.461 10 20 JECD C[C@H](NC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCOCC2)cc1 920920187 JBHFLJZTGMUGAS-LAUBAEHRSA-N 468.554 2.208 10 20 JECD CCN1C(=O)C(=CNc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)C(=O)N(CC)C1=S 920980654 UPQLNGLZGAWMIT-UHFFFAOYSA-N 452.602 2.317 10 20 JECD CC(=O)Nc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1778256005 CCWQXMZOSHLLMT-DEOSSOPVSA-N 487.940 2.396 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cn2cc(Cl)ccc2n1 1778498590 LNMWVGUCGQSMAU-UZUQRXQVSA-N 485.928 2.235 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cncc4cnccc34)C2)C1 1780014336 HNPSOYGXEKCDEE-QHCPKHFHSA-N 468.897 2.452 10 20 JECD CC(C)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)C(C)C 1782001994 PCJUHHHCNNTEKO-PGRDOPGGSA-N 453.967 2.217 10 20 JECD Cc1cccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)n1 1783218216 FCYHIAFQGVYEIH-SNTDARCBSA-N 481.549 2.277 10 20 JECD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc2c[nH]nc12 1785509901 JDHWKCJBMMUMDU-CMEKQAILSA-N 478.505 2.145 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cc3ccoc3cn1)CCO2 1785510295 UBIKFDBNPACICT-UQPVFDRXSA-N 465.462 2.102 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cc(-c2ccco2)no1 1787287120 VMXBWZBHJSATGB-UKRQBTJHSA-N 495.488 2.358 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c(OC)c1 1789471876 ZDXKTWXOPDPHFS-MUQVZHSDSA-N 498.532 2.127 10 20 JECD COc1ccc(Cl)c(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)c1F 1791357184 VYSOULBCEWDNKD-QITLCBANSA-N 493.919 2.130 10 20 JECD Cc1ccc(C)c(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1793813675 HKWFRZPWNUYCAN-USZHEJOJSA-N 482.533 2.102 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1796934661 DILCUYZMGNCXQN-DPZCWEAPSA-N 497.555 2.328 10 20 JECD CN1CCc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)ccc21 1797019155 BNKILPIWWBEEMM-UPHUGPLXSA-N 471.941 2.261 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]21C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1801982076 SVAHLSGDXZINLD-QLNKMIMGSA-N 472.542 2.144 10 20 JECD Cc1nnc(CC(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)s1 1810103478 FTIZXGAKLCZRSN-GQCTYLIASA-N 472.567 2.450 10 20 JECD CCc1cc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n(C)n1 1810923675 UJHHFFDECARGEL-UQBPGWFLSA-N 499.575 2.490 10 20 JECD COc1nc(C)ccc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1811043603 FLPISYCUALUHPU-KKSFZXQISA-N 463.494 2.233 10 20 JECD O=C(Cn1cnc2ccccc21)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812969616 JIIHMUMSINTLST-BXKMTCNYSA-N 472.505 2.257 10 20 JECD CN1CCC(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)CC1 1814162964 ZZCYGOJUINEEKK-KCYAGCKNSA-N 480.565 2.259 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2c[nH]c3nccc-3c2)[C@H]1c1cccnc1 1814188859 BYJSCCMOHZSGRA-UZLBHIALSA-N 494.602 2.089 10 20 JECD CCc1ccnc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1814189368 OXQDJERQAOLBPX-UWJYYQICSA-N 483.619 2.219 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2nccc3[nH]ccc23)[C@@H]1c1cccnc1 1814189562 SGVICGKBBWYANX-QVKFZJNVSA-N 494.602 2.138 10 20 JECD O=C(CN1CCCC1)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1814482222 KDCPEQOQYKHQJL-FQEVSTJZSA-N 463.542 2.291 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1nccc3[nH]ccc13)CC2)c1cc(O)nc(O)c1 1816725724 OXGQEFXEDRJOMZ-NSHDSACASA-N 450.480 2.365 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(=O)oc1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817362905 YOUPFLTYIQMDAI-CQSZACIVSA-N 477.502 2.115 10 20 JECD CC(=O)Nc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)o1 1819400836 VDWNWIHYHMFSAT-CYBMUJFWSA-N 490.567 2.127 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc(CO)c(F)c1 1827906485 YXGSRNCIYYANHY-ZDUSSCGKSA-N 458.471 2.120 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)COc2cccnn2)CC1 1832193177 QZBHZJIVJGQBGL-QFIPXVFZSA-N 490.564 2.268 10 20 JECD Cc1occc1C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1837459043 PYIXHIHMAGRBPL-UHFFFAOYSA-N 465.597 2.061 10 20 JECD Cn1cc2cc(C(=O)N3CCC(OC4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)ccc2n1 1838030335 OLGYEGJDWLPWJU-UHFFFAOYSA-N 479.537 2.306 10 20 JECD Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)CCO3)n1 1839348182 GFSHSNBKRFSJIE-SANMLTNESA-N 493.564 2.098 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1839433295 DNPGLSOZXTYLFS-HSZRJFAPSA-N 460.914 2.443 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2cccn(C(F)F)c2=O)C1 1844402264 DNSYKUWHNMQGBG-UHFFFAOYSA-N 453.829 2.439 10 20 JECD O=C(COC(=O)c1ccc(N2CCOCC2)nc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 14709652 VXQSTWVINKACNQ-UHFFFAOYSA-N 471.469 2.489 10 20 JECD Cc1cc(C(=O)COC(=O)CN2CCS(=O)(=O)CC2)c(C)n1-c1ccc(F)c(Cl)c1 108764656 NPROKYHIYZWBRF-UHFFFAOYSA-N 456.923 2.343 10 20 JECD COc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(OC)n1 726725606 COBNVQUIRBCMRT-UHFFFAOYSA-N 450.442 2.424 10 20 JECD C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)s1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 745257737 AGQSIBGOGQSOMK-LLVKDONJSA-N 484.511 2.355 10 20 JECD COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)cc1 746976146 ZZGSECGZPFPQTH-UHFFFAOYSA-N 450.536 2.116 10 20 JECD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)ccc1C 747010960 KEEYULWCDMXSER-UHFFFAOYSA-N 464.563 2.486 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)Cn3c(-c4ncccn4)noc3=O)c2C)c1 749357240 JQGHSWQUPNTNNV-UHFFFAOYSA-N 491.460 2.157 10 20 JECD CCS(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 749969278 BGCGQWAVMGZXAH-HNNXBMFYSA-N 498.557 2.394 10 20 JECD CCOC(=O)c1c(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n[nH]c1C 912537027 DFSYWACWNHEEMG-UHFFFAOYSA-N 458.487 2.444 10 20 JECD O=C(COC(=O)[C@H]1CCCN1c1ncccn1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 912953293 CRBGMACNIRCJNU-HXUWFJFHSA-N 456.458 2.403 10 20 JECD CCCN(C(=O)[C@@H](C)OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)[C@H]1CCS(=O)(=O)C1 915551389 WZUNCJFHXLBTNW-CABCVRRESA-N 498.557 2.015 10 20 JECD COc1ccc([C@@H](CNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)N2CCOCC2)cc1 916234277 IYOCKHSDLXWTCF-AREMUKBSSA-N 497.640 2.199 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CCC(=O)c3ccc4c(c3)OCCCO4)nc12 918950294 FZEGJVFQIXGZKX-UHFFFAOYSA-N 469.450 2.479 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1 920437388 RFORLZWNCMUYOC-HZPDHXFCSA-N 494.545 2.332 10 20 JECD O=C(COC(=O)c1ccc(-n2cccn2)c(F)c1)NCc1ccc(N2CCOCC2)c(F)c1 1321597798 ZTCHKKOVPZJYMG-UHFFFAOYSA-N 456.449 2.460 10 20 JECD CCn1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c2ccccc21 1777848126 KDIRASKXAJXOIS-KBMIEXCESA-N 479.537 2.304 10 20 JECD COc1nccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1F 1782002812 WVXCTQJWBINVEU-OAQYLSRUSA-N 465.865 2.051 10 20 JECD CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1ccccc1 1786364328 UPYGGWSLGLHIHR-RDGPPVDQSA-N 475.636 2.020 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4ccccc43)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787541503 RLKPQHUXSXPPDM-KNKUVARMSA-N 486.572 2.489 10 20 JECD Cc1noc(C)c1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790243223 WSJITJYANOOPIQ-AXHNFQJDSA-N 463.918 2.192 10 20 JECD CSCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792217526 GDKWSTQUIOAIJL-SNYJDTOOSA-N 464.584 2.186 10 20 JECD O=C(CCc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1795121545 SCCHLIYPTOKIMR-NXKWYNOOSA-N 460.534 2.002 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1c[nH]c3ccccc13)C2)C1=NN(c2ccccc2)C(=O)C1 1796481040 KJCGZIPXJZCLQH-VXECKQGCSA-N 499.571 2.483 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)[C@@H]1[C@H]2Sc3ccccc3[C@H]21 1804333223 IDGMQRKPQUKLGG-URKVJCHASA-N 473.645 2.373 10 20 JECD C[C@@H](NC(=O)c1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1804350523 SXSHMGXSRIVLIJ-CMCXCUNFSA-N 487.560 2.236 10 20 JECD Cc1nc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cs1 1807992772 BHIYPEHIAFITNH-VFNWGFHPSA-N 453.524 2.215 10 20 JECD Cc1cc(C)n(CC(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n1 1817362916 BCBLYVWQYWTJCT-MRXNPFEDSA-N 491.577 2.362 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnsn1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817364812 ZVWCWJILFGYXJJ-LLVKDONJSA-N 467.536 2.013 10 20 JECD CCc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)cc(C)n1 1817822229 KBAISCMAAFZGFW-AWEZNQCLSA-N 489.648 2.495 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cccn4cncc34)sc2C1)c1cc(O)nc(O)c1 1819312204 RAWQYQHIXKHLDU-GFCCVEGCSA-N 450.480 2.137 10 20 JECD COc1ccccc1CC(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828250480 SYVVGUUITITZDH-ZDUSSCGKSA-N 490.632 2.167 10 20 JECD Cn1nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c2c1CCC2 1828272763 USMOTBKQCDVGSF-QGZVFWFLSA-N 489.667 2.002 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)c2cnc(O)[nH]2)CC1 1829339185 BTORCDLMFFYYKK-HXUWFJFHSA-N 464.526 2.142 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccsc3)CC2)CC1)c1cc(O)nc(O)c1 1834985941 RMJXPVJNQHNBQK-OWOJBTEDSA-N 456.568 2.453 10 20 JECD O=C(/C=C/C1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccc(O)c(O)c1O)CCO2 1840881611 ZKTAXGANFUBNJD-DNIXAGTJSA-N 472.538 2.019 10 20 JECD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)C1 1841428441 GENSZYBYXXRSGT-KRWDZBQOSA-N 495.960 2.204 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(CC(=O)N(C)C3CCCCC3)CC2)c1 728563133 IHGZDCKFEHQHHX-UHFFFAOYSA-N 486.657 2.336 10 20 JECD COCCCn1c(O)nnc1SCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 844262220 COWFEDNDBOXDPW-UHFFFAOYSA-N 479.584 2.050 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3cccc(CN4C(=O)CNC4=O)c3)cc2F)C[C@@H](C)O1 917711477 GQLBZLGWIRTYDH-IYBDPMFKSA-N 454.502 2.421 10 20 JECD CC[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1OCC(=O)NC 918123629 ZPQJJLWXOOHDST-DENIHFKCSA-N 481.597 2.464 10 20 JECD O=C(COC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)NCc1ccc(N2CCOCC2)c(F)c1 919085028 IDIKBXWBGKUEFI-JOCHJYFZSA-N 497.567 2.303 10 20 JECD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920880503 CAOMRBIITAQGKH-SFHVURJKSA-N 489.594 2.044 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnc(C(F)F)c1)C2)c1cc(O)nc(O)c1 1777849724 ZEZAKWAABAXPMS-OPAMFIHVSA-N 462.453 2.267 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1[nH]nc3c(Cl)cccc13)C2)c1cc(O)nc(O)c1 1777852760 SAINJDIYOCSCSB-HOYKHHGWSA-N 499.955 2.393 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1779445359 DMRJVZQROVIVFB-QHCPKHFHSA-N 485.903 2.111 10 20 JECD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)ccc1C 1780779694 IAZFJUUJNZLMHF-SANMLTNESA-N 476.533 2.240 10 20 JECD O=C(/C=C/c1cccc(O)c1)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510626 UGIWJTOPUUTCMX-QSYIRPHUSA-N 466.490 2.066 10 20 JECD Cc1nc(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)s1 1785985549 ZHYKUVVVLZVBNV-OHLZFXOVSA-N 473.551 2.183 10 20 JECD CCOc1c(F)c(F)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)c1F 1787294528 WCSANIUHBMQGAD-PJODQICGSA-N 495.454 2.216 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc(Cl)nc1Cl 1788831296 PLGRLKIJEFKUFB-BPNCWPANSA-N 467.309 2.102 10 20 JECD CN(C)c1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)c1 1790242039 IGTMSAJYVOBJPN-ROOHIHILSA-N 474.945 2.119 10 20 JECD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)ccc1O 1790244273 XPGXRXPVEXGPAF-KPHUOKFYSA-N 476.913 2.373 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4cccn4)nc3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790244966 ICPJDEIEDLGLFC-KNBMTAEXSA-N 497.939 2.239 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1-c1cc(F)cc(F)c1)C2)c1cc(O)nc(O)c1 1796137781 GNYQQUUZYCLEDE-MFKICJERSA-N 496.470 2.350 10 20 JECD CC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)cc1O 1796933138 SBHYPKUBEKIURK-FNLKRUPLSA-N 489.532 2.395 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cc(Cl)c2nncn2c1 1796934700 PRDIQKPPNRVWTR-VBUUOAMHSA-N 491.939 2.427 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cn[nH]c2cn1)C1=NN(c2ccccc2)C(=O)C1 1798259292 JNWOZSTWWXIFFR-VBUUOAMHSA-N 457.494 2.003 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccccc1Cl 1798801001 IUFGFMJLIKXIRC-MFKICJERSA-N 466.925 2.336 10 20 JECD CC[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2)NC(=O)OC(C)(C)C 1800187388 BKVZQLXDACYRFN-JONQDZQNSA-N 498.671 2.178 10 20 JECD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccccc1 1802098011 GZAFKYQMLSWTFL-ZHNFZGJGSA-N 460.534 2.173 10 20 JECD Cc1cccnc1CCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1804405588 KTJQLYXKOPTBMY-WZONZLPQSA-N 497.646 2.284 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2[nH]ccc2n1 1809796621 GOQKCRZODNRQPB-IVZQSRNASA-N 458.478 2.398 10 20 JECD COc1nc(C)ccc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1811043601 FLPISYCUALUHPU-IIBYNOLFSA-N 463.494 2.233 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@H](O)c2ccco2)[C@H]1c1cccnc1 1814162934 ZFNBIGOHMCLUSP-LJZDNSHBSA-N 479.489 2.244 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)CC1 1814294267 VYSKPGJNEHSZPC-OXQOHEQNSA-N 497.552 2.265 10 20 JECD CC(C)N(C)CC(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367013 MWLVBWIBGRXSDN-HNNXBMFYSA-N 468.583 2.188 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cnn(-c3cccnc3)c2)[nH]n1)c1cc(O)nc(O)c1 1817844203 SYBWZTDJIMCSKP-GOSISDBHSA-N 474.481 2.416 10 20 JECD Cc1nc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)no1 1818145752 IRFYHCHVEQBEHW-SFHVURJKSA-N 476.497 2.129 10 20 JECD CN(C)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cn1 1819940987 ISVXQHRZKYHWGT-HNNXBMFYSA-N 487.611 2.037 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c(C3CC3)c2F)[nH]n1 1823497272 UPILDYWCXRCIOO-GFCCVEGCSA-N 491.574 2.316 10 20 JECD CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823706757 QJVSCFQQBNFQPM-YPMHNXCESA-N 466.947 2.348 10 20 JECD C[C@H](Cn1ccnc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1826835593 BQGUECRNFGPUSW-MZVYLTKDSA-N 483.550 2.418 10 20 JECD O=C(c1ccc2nn[nH]c2c1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827430021 YSVMOXOIRGOGTG-LJQANCHMSA-N 450.499 2.311 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(O)[nH]2)CC1 1829344770 OVUYLAREYLSERQ-UABRLCRWSA-N 456.499 2.179 10 20 JECD CCOc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)nn1 1829838467 YHSFVZDPUWZHDQ-SFHVURJKSA-N 455.515 2.229 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835133998 TYIDEFRJCNGHNX-HUVFLSCGSA-N 493.633 2.226 10 20 JECD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)cn1C 1835207177 IBTBWNBXBYDUKZ-UHFFFAOYSA-N 490.608 2.312 10 20 JECD COc1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1838877147 XLPHREYSBJIQLX-QHCPKHFHSA-N 476.913 2.144 10 20 JECD COc1cc2c(O)cccc2cc1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1845656720 XPPSVDZJVHFYKM-UHFFFAOYSA-N 485.587 2.231 10 20 JECD O=C(CCc1c[nH]c2ccc(F)cc12)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055194 KXVSWWXRUGKHQY-UHFFFAOYSA-N 474.583 2.303 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O 1847958748 VCFJPMQSPQROEK-JROUCQTNSA-N 473.526 2.028 10 20 JECD CCN(CC)S(=O)(=O)c1cc(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)n(C)c1 24110122 ILMGNZOTYIMRRE-UHFFFAOYSA-N 491.658 2.006 10 20 JECD C[C@@H]1NC(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)=NN(c2ccccc2)C1=O 108634402 JUELZKKNEFOTJG-HNNXBMFYSA-N 475.471 2.497 10 20 JECD C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(N2CCOCC2)cc1 109190969 DPTIIPOMBVYOOH-SFHVURJKSA-N 489.594 2.230 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N[C@H](CN3CCN(C)CC3)c3ccccc3)CC2)cc1 727843864 NENYHZKZWXIRPJ-AREMUKBSSA-N 480.657 2.105 10 20 JECD Cc1c(NC(=O)CSc2ccccc2C(=O)N2CCS(=O)CC2)c(=O)n(-c2ccccc2)n1C 731008515 XCCHQCSRRUCUAJ-UHFFFAOYSA-N 498.630 2.420 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2ccc(N3CCCCC3)cc2)c1 742476137 WDBUWXYYVGDAJH-UHFFFAOYSA-N 460.600 2.186 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CCCN3c3ncccn3)cc2F)C[C@@H](C)O1 919061712 AFTWZTMOTAQBKN-LZJOCLMNSA-N 471.533 2.058 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)cc2F)C[C@@H](C)O1 919660612 VRTCFQIXDXSHEO-ZIAGYGMSSA-N 456.474 2.025 10 20 JECD COc1ccc([C@@H](O)CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919783210 GYCJHVBEVKTGEV-QHCPKHFHSA-N 480.544 2.484 10 20 JECD Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1[N+](=O)[O-] 919799676 IWQIEUYEOGIJFH-UHFFFAOYSA-N 493.499 2.414 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2F)C[C@H](C)O1 920343103 UKIKAGWTZHNVBO-HOTGVXAUSA-N 494.545 2.332 10 20 JECD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 920926443 OFYIKBDCNMFYMT-GOSISDBHSA-N 488.610 2.368 10 20 JECD COc1ccc(CCC(=O)N2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 921061232 BWUQYWRMFWKIFZ-UHFFFAOYSA-N 498.599 2.064 10 20 JECD Cc1cccc(C)c1SCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1779292384 ACTGCTADALSPBI-QFIPXVFZSA-N 493.676 2.086 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](C)NC=O)C3)cc1 1780988364 YAUADYPXUWSRDH-VAPDBKPJSA-N 466.582 2.356 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OCC4CC4)cc3F)C[C@@H]21)c1cc(O)nc(O)c1 1787295417 PGUMWWINLKJKGH-ZRCAFCQKSA-N 485.512 2.328 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1onc2ccccc12 1790408857 YYPMZZUWHYVMJN-PFAFGPMFSA-N 479.489 2.251 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccccc3Cl)C[C@@H]21 1792238472 DUIXMYQTZHXTSQ-BQFCYCMXSA-N 496.054 2.113 10 20 JECD CC(C)(C)c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1795967034 ZSWDXMVABWGWOP-HHVYCJAJSA-N 481.549 2.413 10 20 JECD C[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)CCN1C(=O)OC(C)(C)C 1796605605 UMLKFIGFFDNVCZ-LHKMKVQPSA-N 474.558 2.390 10 20 JECD Cc1oc2cc(O)ccc2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1796995743 ORXZWPSVWKIKFT-PAYHOHGSSA-N 494.500 2.480 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc(C(F)(F)F)ccn1 1798195053 NLGBTSQVPPOOMO-IEEJQYOHSA-N 493.438 2.134 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)[C@H]1CCc2ccoc2C1 1803284792 LPQMWEHEFNCCSK-SGXKBVARSA-N 498.630 2.346 10 20 JECD COc1ccc(-c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CN3C(=O)CSC3=S)n[nH]2)cc1 1804333351 HLKMGUZYPSGPOF-MUJYYYPQSA-N 499.618 2.197 10 20 JECD Cc1ccn(CC(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)n1 1807153526 UTUAVMNHBRQZHK-GQCTYLIASA-N 454.527 2.253 10 20 JECD Cc1nccn1CCCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807997853 FNSWRYMXQRWBOO-JPYJTQIMSA-N 464.526 2.193 10 20 JECD C[C@]1(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)CCCN1 1808075106 GCHBNFUOWCIRNX-FRPAHBMMSA-N 474.565 2.022 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CN)[C@H]2c2cccnc2)cc1 1808266796 CRURKSKZKZDBNX-YFNKSVMNSA-N 460.582 2.095 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCN2CCCC2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469810 QGCVJDXZRVBDFH-LVXARBLLSA-N 488.592 2.366 10 20 JECD O=C(c1cnn(-c2cccnc2)c1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810543032 LFAXQWJHRYVLBS-UHFFFAOYSA-N 462.510 2.232 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(-c2ccncc2)[nH]n1 1810879557 BZBDDKFELHPOQO-UZUQRXQVSA-N 485.504 2.306 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc(-n2cccn2)nc1 1810994417 MALLNZYOVFWXOR-HXOBKFHXSA-N 485.504 2.102 10 20 JECD Cc1nccnc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1811085745 KMVQGSDXHMKCOF-YADARESESA-N 483.532 2.293 10 20 JECD O=C(CCN1C(=O)C=CC1=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1815473547 OBGQHPCMNPRDKQ-HNNXBMFYSA-N 487.900 2.095 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720573 YQWNHYPWUZOYSD-YPMHNXCESA-N 491.570 2.336 10 20 JECD Nc1c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)sc2nccnc12 1816722480 IOAWKBQSAVGCRM-SECBINFHSA-N 483.535 2.076 10 20 JECD CC(=O)c1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n[nH]1 1817363629 KJPWKRTZDFYHQR-CYBMUJFWSA-N 491.533 2.088 10 20 JECD NC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccccc1 1817405591 GDYFFSKTPXZCAN-NVXWUHKLSA-N 486.623 2.005 10 20 JECD Cn1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)cccc1=O 1818146275 YAXJWXNIKNJERP-LJQANCHMSA-N 487.520 2.207 10 20 JECD Cc1cnc(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)s1 1835134647 PYVLAOGUCBRFFE-UHFFFAOYSA-N 494.621 2.430 10 20 JECD COc1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1NC(C)=O 1844747137 WTSVBDDIAVIOQV-RMKNXTFCSA-N 481.505 2.301 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 1845524454 WVUVWGJAAJHBSW-UHFFFAOYSA-N 495.261 2.433 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cn3c(C(F)(F)F)cccc3n2)C1 1845590456 HILKWOPXDAKHQS-UHFFFAOYSA-N 497.524 2.030 10 20 JECD COc1c(Cl)cccc1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1846855825 OWJODNZOSSREFK-UHFFFAOYSA-N 453.973 2.026 10 20 JECD Cc1onc(-c2ccncn2)c1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038282 JBPGMRYADBHBBL-GQCTYLIASA-N 477.477 2.087 10 20 JECD COc1ncccc1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(c2ccccc2)C(=O)C1 1848206195 BLHQRIJEEFNALI-SFTDATJTSA-N 461.522 2.018 10 20 JECD O=C(CCNC(=O)N(Cc1ccco1)Cc1ccccc1O)N1CCN(c2ncccn2)CC1 726710666 MPEOAFFHWCQCHD-UHFFFAOYSA-N 464.526 2.226 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 822031069 DKGRQAXXGGTDOS-SLYOHQAMSA-N 493.651 2.105 10 20 JECD C[C@@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)N1CCC[C@H](C(N)=O)C1 823027625 LEOIGQOYMSJNGT-OLZOCXBDSA-N 468.893 2.385 10 20 JECD COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(Cc2c(O)ccc3ccncc23)CC1 917445447 FTDDGEHUYASOHW-UHFFFAOYSA-N 459.524 2.443 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cn3cnc4ccc(Br)cc4c3=O)cc2)C1 917836334 LLDUXSCVIJDZPZ-INIZCTEOSA-N 498.381 2.177 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3ccc(F)c(F)c3)cc2F)C[C@@H](C)O1 917990575 KZCFTYCVYDPHRJ-HUUCEWRRSA-N 493.482 2.307 10 20 JECD NC(=O)C1(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCOCC1 918099012 NHKAGBGABNHKGB-SDNWHVSQSA-N 453.611 2.128 10 20 JECD CCOc1ccccc1C(=O)NCCCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918339871 JFRAVLPKUJVCJG-UHFFFAOYSA-N 473.595 2.147 10 20 JECD CCOC(=O)N1CCC(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 919699725 YYKKVIUYKARCIT-UHFFFAOYSA-N 470.549 2.427 10 20 JECD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 919971124 PMZSRKLNOWRCFD-UHFFFAOYSA-N 494.589 2.109 10 20 JECD CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 919971149 RDODVCDJLPOFAS-UHFFFAOYSA-N 479.574 2.170 10 20 JECD C[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)NC1CCN(Cc2ccccc2)CC1 920638428 ZRHNZTOPZANJMG-INIZCTEOSA-N 475.567 2.090 10 20 JECD COc1ccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1 1777847795 QJVNWKPABXKRBR-CJFMBICVSA-N 469.538 2.262 10 20 JECD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)C1 1782009723 ZZGBRHIJCUAVQM-GGOJBBCOSA-N 480.945 2.174 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3cccn3cn1)C2 1783221951 BUANJTVDQRLHTK-YRHVXKOMSA-N 492.532 2.292 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)[C@]3(F)CCCC=C3F)C2)C1 1785695858 NVJAHIQMUUXNBN-ZEQRLZLVSA-N 472.492 2.355 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1788544104 LRBXWRDVNYQTBT-IVEVCXFLSA-N 481.549 2.297 10 20 JECD COC[C@@H](NC(C)=O)C(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788674178 YBXWNQZKLNVYSQ-JOCHJYFZSA-N 491.548 2.065 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc(OC(F)F)cc1 1790101056 MQEONKPOQCOJFD-JQFCIGGWSA-N 463.437 2.001 10 20 JECD O=C(/C=C/c1cnccn1)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792316298 YVJKUSWNQFXFLO-VOTSOKGWSA-N 467.576 2.484 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1-c1cccc(F)c1)C2)c1cc(O)nc(O)c1 1796138283 ROFGGBWJISROSM-FAQVEIGNSA-N 478.480 2.211 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796600647 AZZGIKXLSKSPCZ-MDMSPXHWSA-N 492.548 2.340 10 20 JECD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)nc2ccccn12 1796847047 ANZKSSPUFWKIIJ-YVWYUNDQSA-N 470.913 2.224 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@](F)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1801890750 ORNGXFSKGCAACZ-IVZYZONNSA-N 492.548 2.484 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12)C1=NN(c2ccccc2)C(=O)C1 1801970589 ZPOPNCTVOHGWNC-DPZCWEAPSA-N 497.555 2.328 10 20 JECD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccccc1 1802103677 DOVKAKYCARTDMA-XTXPCOOASA-N 452.507 2.210 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)[C@@H]1CC(c2ccccc2)=NN1 1804289783 TZYNGFDGVQPHDH-DQKVDQNHSA-N 476.533 2.221 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)C(=O)c1ccco1 1804331790 LHTNUILPBRHNHN-QSUDOZCYSA-N 477.473 2.394 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3n[nH]cc3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993359 ILTAZROQHZIXEX-KSFYIVLOSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)ccc2F)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998283 CVBMAHSLSPIPGO-SZNDQCEHSA-N 452.442 2.366 10 20 JECD O=C(NCCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccccc1 1808002029 SSIVRDAFUFOAHY-YADARESESA-N 489.532 2.028 10 20 JECD Cc1nc2ccccn2c1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1809066258 POLWHJGCXBTNDO-GAJHUEQPSA-N 472.505 2.477 10 20 JECD O=C(CCS(=O)(=O)c1ccccc1)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1809332056 PKQGGIGRNJSZPJ-UHFFFAOYSA-N 487.578 2.202 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1810207210 IMWRKJWDUDZBIO-NRJQMVOHSA-N 497.646 2.448 10 20 JECD CN1N=C(C(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)CCC1=O 1811797364 DJSLPBBRGXMKDG-VLIAUNLRSA-N 485.928 2.074 10 20 JECD CN1CCN(CCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC3)CC1 1814583049 MGYIVQSFKSFNMM-AWEZNQCLSA-N 494.017 2.071 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CC(c3ccccc3)=NO1)CC2)c1cc(O)nc(O)c1 1816720546 XUNZISUISVURPR-PBHICJAKSA-N 479.518 2.368 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)C1 1816728152 LEPDIMCHIVEAER-SCRDCRAPSA-N 474.539 2.155 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(=O)oc2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146292 BCUZIJIZMNDYET-IBGZPJMESA-N 474.477 2.462 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146326 CBNOUZZPBAYDRA-QRWLVFNGSA-N 479.541 2.062 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccc(F)n1 1819738575 RUVHLVKJBBZYCF-CYBMUJFWSA-N 462.532 2.110 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822783637 VGDIYWWOWYLYLC-UKRRQHHQSA-N 488.595 2.125 10 20 JECD C[C@H](CC(N)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1824592539 NZIFRLJKKWHUSB-CXAGYDPISA-N 451.951 2.496 10 20 JECD O=C(NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)c1cccs1 1825239366 WCFIUBYELRPIIE-KRWDZBQOSA-N 472.567 2.218 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2)n1cccn1 1826857581 AJNQQCGSRNPESS-HUUCEWRRSA-N 477.550 2.306 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(CO)on2)CC1 1829815978 RYIPCRXXZGEJBT-QFIPXVFZSA-N 479.537 2.193 10 20 JECD CC(C)(C)OC(=O)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1831579832 LYJWMBXXNWTGDA-KRWDZBQOSA-N 462.547 2.251 10 20 JECD O=C(c1ccccc1O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896681 MXRLXHLZUVXSTH-QGZVFWFLSA-N 461.609 2.486 10 20 JECD O=C(Cc1ccc(F)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835051860 FCHZYPDSQPTJQH-HSZRJFAPSA-N 478.904 2.203 10 20 JECD O=C(Cc1ccc(F)c(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431599 ASWKSCZAPFAQPB-HSZRJFAPSA-N 496.894 2.342 10 20 JECD O=C(CCCn1cccc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840462109 LFGVJMLQRWHWPP-HSZRJFAPSA-N 477.945 2.103 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccccc43)C2)C1 1840881065 AZJUWIVTLAKVAD-JJOQLZEOSA-N 494.544 2.003 10 20 JECD Cc1cnc(C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)cn1 1843330524 CLSKFWISWCZMIQ-HXUWFJFHSA-N 494.596 2.320 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@H]1F)C2 1843330657 LCFKCOQWFRCJOM-CEXWTWQISA-N 460.550 2.266 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 1845364331 MLWCWHPAIQWPRO-UHFFFAOYSA-N 477.271 2.294 10 20 JECD O=C(c1cc(-c2cccs2)on1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056747 WTEMIXSDBIQHEZ-UHFFFAOYSA-N 462.578 2.080 10 20 JECD CCN(C(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)[C@H]1CCS(=O)(=O)C1 10732465 SEJKKSTYOWVYGT-ZDUSSCGKSA-N 489.933 2.308 10 20 JECD O=S1(=O)CCN(c2ccc(CNS(=O)(=O)c3cccc(Br)c3)cc2)CC1 726977054 WTKZSBATLMFJEV-UHFFFAOYSA-N 459.387 2.162 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CNC(=O)NCc3ccc(Cl)cc3)CC2)cc1 727376078 RERYCIPROJXKIR-UHFFFAOYSA-N 459.978 2.086 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCc3cc(OC)c(OC)c(OC)c3)CC2)cc1 742940405 SONRAPHBYFKWEM-UHFFFAOYSA-N 458.559 2.342 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 914631743 GPEWQWBEUCDADP-SANMLTNESA-N 478.549 2.253 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)Cn3cnc4cc([N+](=O)[O-])ccc4c3=O)cc2F)C[C@@H](C)O1 917154502 KBYDGENRWOEVFT-GASCZTMLSA-N 469.473 2.374 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NC[C@]3(N4CCOCC4)CCSC3)cc2F)C[C@@H](C)O1 918214954 QVWGPLFVGVPYOB-PMAPCBKXSA-N 466.623 2.446 10 20 JECD CC[C@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)n1nnc(-c2ccc(Cl)cc2)n1 918340751 SQAUPKWQNILYPU-HXUWFJFHSA-N 489.001 2.496 10 20 JECD CN(C)C(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1Cl 918439425 KMJJFXMWOWNMAH-UHFFFAOYSA-N 476.936 2.397 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)nc12 920551293 CILUOEGQHBXQNN-OAHLLOKOSA-N 458.858 2.361 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)C2)C1 1778297893 HJCYHQQHGVJOAS-OIMFZILRSA-N 479.668 2.283 10 20 JECD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)ccc1[N+](=O)[O-] 1782008336 ZSQLKTCSTFQWST-QFIPXVFZSA-N 491.884 2.425 10 20 JECD C[C@H](Nc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1786865776 CTCWKPSHDFUXJW-CXIBIASBSA-N 474.945 2.240 10 20 JECD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)ccc1F 1796481198 USTOHMHHIQYIIG-FEJSZKPUSA-N 464.497 2.130 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cccc2ncsc12 1797501181 XZBWHVGKYMOSCD-MFKICJERSA-N 489.557 2.292 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc(F)ccc1Cl 1799578272 HNEIIDWYCSXBGI-YEZVWNJWSA-N 484.915 2.475 10 20 JECD COc1ccc(Cl)cc1CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804335983 JEWVJQSDKHVGGT-MUJYYYPQSA-N 482.027 2.390 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n(C)n1 1805647334 ZBIBEVZKECQTLZ-XZSBDORCSA-N 477.521 2.273 10 20 JECD Cc1cnc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cn1 1808465702 XLFGOAOEVGQNBW-NTKDMRAZSA-N 483.532 2.293 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2c(c1)OCCO2 1808993148 KIAJPBYNSRCTEA-SBUREZEXSA-N 476.489 2.292 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cnc2ccccn12 1809217101 JNTXCLMSONVFSW-KSFYIVLOSA-N 458.478 2.169 10 20 JECD C[C@H](Cc1ccccn1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1813284791 OBCXOXXBVAEBEY-JTUHZDRVSA-N 461.522 2.481 10 20 JECD COc1nccnc1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162403 JOZGIIOQXFZCHN-UDGCLTLRSA-N 491.504 2.030 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3nccn13)CC2)c1cc(O)nc(O)c1 1816729535 VDXFSGOZXDZBRW-LBPRGKRZSA-N 450.480 2.137 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cc2cnc3ccccn23)[nH]n1)c1cc(O)nc(O)c1 1817843719 WSFQSVOVBRZMFI-KRWDZBQOSA-N 461.482 2.412 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821291504 SMNGWOUGZJGPKX-HNNXBMFYSA-N 487.900 2.095 10 20 JECD Cn1cnc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)c1 1826117114 JCRQROBMUUHVOC-QFIPXVFZSA-N 462.554 2.446 10 20 JECD C[C@@H](Cn1ccnc1)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828200056 JSHYPCVWGPPENB-PFORQJHVSA-N 483.550 2.418 10 20 JECD CC1(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)CCCC1 1828241849 DBIMLRYDNAXHHC-NSHDSACASA-N 452.627 2.496 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc[nH]c3nccc1-3)CC2 1828242618 OXNMDLRHBRRJDT-JTQLQIEISA-N 486.604 2.057 10 20 JECD COc1ccc(F)c(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1 1828249941 LRMPIIDIAYQNEO-JTQLQIEISA-N 494.595 2.377 10 20 JECD Cn1ccc(=O)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832875854 CFVQPULJKHJPIW-IEJURRBGSA-N 481.549 2.449 10 20 JECD O=C(CCCc1ccncc1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833844749 FNPNYUZWHVXHGQ-UHFFFAOYSA-N 467.570 2.096 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1n[nH]c2ccc(F)cc12 1835591481 DSAYBYOHBLBTFN-UHFFFAOYSA-N 482.516 2.007 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1ccncc1O 1835877843 MXGZJGQREFVGSH-UHFFFAOYSA-N 474.945 2.351 10 20 JECD CSc1cccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1O 1836120546 VVNRNLAAKOQFJQ-UHFFFAOYSA-N 486.594 2.419 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3[nH]cc4c3CCC4)CC2)CC1 1838029726 GTNHWXIMKKCTLQ-UHFFFAOYSA-N 454.527 2.236 10 20 JECD O=C(CCC(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431721 INCVTPPWJAMXEJ-GOSISDBHSA-N 466.840 2.164 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1O 1839432943 APQXQTNHWUUTOG-HSZRJFAPSA-N 476.913 2.149 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)cc1 1843130480 AQRWOSVDCXRHQE-UHFFFAOYSA-N 493.589 2.376 10 20 JECD CN1CCCC[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843330776 NCDWORPOSCEFDZ-YADHBBJMSA-N 499.656 2.392 10 20 JECD O=C(c1ccc(OCCCO)cc1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442674 SRFHFXAZFCZFRW-UHFFFAOYSA-N 476.533 2.058 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cnnc3ccccc23)C1 1843678041 CEVYMBBKVHETED-UHFFFAOYSA-N 454.490 2.240 10 20 JECD CS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 728817758 SIQSJPBXWCBYLZ-UHFFFAOYSA-N 487.397 2.340 10 20 JECD C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)C1 731223111 VNJGXFRGRROSKO-IRLDBZIGSA-N 457.619 2.045 10 20 JECD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 771212059 JFXRHSWUJPTILO-UHFFFAOYSA-N 482.002 2.374 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCCN3CCN(c4ccccc4)CC3)CC2)cc1 916196771 HNSWWORKPCYCMJ-UHFFFAOYSA-N 480.657 2.329 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(Cc4ccncc4)CC3)CC2)cc1 916198465 OHSKLBSVBJDEES-UHFFFAOYSA-N 452.603 2.130 10 20 JECD Cc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1S(=O)(=O)N1CCOCC1 917386015 LIDCMBPSLQXOFR-UHFFFAOYSA-N 475.636 2.499 10 20 JECD COc1ccc(NC(=O)CSCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 917832949 IUHIKRIEINNFQS-GOSISDBHSA-N 470.595 2.385 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2)C1 918000950 ULRKHPIBOCILOJ-VXKWHMMOSA-N 492.624 2.089 10 20 JECD Cc1c(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(=O)n(-c2ccccc2)n1C 918288924 XSFSGMDNFLIYMD-CALCHBBNSA-N 495.555 2.492 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCNS(=O)(=O)c3cccc(Cl)c3)cc2)C1 918373134 STXHPVOYXVAAMX-KRWDZBQOSA-N 479.002 2.027 10 20 JECD COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 920881999 UKYWLQYAFGWHDY-GKVSMKOHSA-N 466.538 2.176 10 20 JECD COc1ccc2nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3cc(O)nc(O)c3)C4)ccc2c1 1778629211 FDJVMGPOIPEZRB-QFQXNSOFSA-N 492.532 2.491 10 20 JECD C[C@H](Nc1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1779392754 MOUMRJCTFMTIQX-FPULEUEGSA-N 489.960 2.169 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc[n+]([O-])c4)CCO3)C2)cc1 1781750978 NYHCVOHNAAUMEP-SANMLTNESA-N 460.534 2.485 10 20 JECD O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783718412 FTADMSIOGXMNAD-RDUCDJESSA-N 463.412 2.067 10 20 JECD CC(C)[C@H]1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)CC1 1785547398 ZCQDCUHFOZIGMK-HOIFWPIMSA-N 467.657 2.139 10 20 JECD O=C(Cn1nccn1)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788674109 QXWMTQCDWNROPU-UHFFFAOYSA-N 457.494 2.205 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cc4ccccc4o3)C[C@@H]21 1792238975 FEOUMUYJTOUCIM-XRLICQSESA-N 499.614 2.286 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2)c1cc(O)nc(O)c1 1796140316 KMQYOMCWSUCVMX-MLJXYAANSA-N 457.449 2.065 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(Cc2ccccc2)c1 1798831023 KCWXMOABFZDEBK-REPLKXPHSA-N 483.619 2.044 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1nn[nH]c1C(F)(F)F 1800716676 TVKQCXLJHCRJHE-ILWJIGKKSA-N 459.812 2.454 10 20 JECD COc1cccc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n1 1804431826 KPAQUVHHGZIBBK-XDHUDOTRSA-N 477.521 2.244 10 20 JECD Cc1nnc(CCC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)s1 1804558950 JIPFCHMNABBBIL-VFNWGFHPSA-N 468.539 2.000 10 20 JECD Cc1[nH]nc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)c1F 1805125329 OURJAYYPKDOUQL-FIEJTUCKSA-N 481.484 2.402 10 20 JECD CCn1ccc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1805906892 APIYBSDJUGMECA-VSEMJTJDSA-N 477.521 2.448 10 20 JECD Cc1cc(C)n(CCC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n1 1807997820 DXXXIHGETXWJPS-FDDCHVKYSA-N 464.526 2.111 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc[nH]c2nccc1-2 1808076287 YSLLPUBYHJNGSQ-YCRPNKLZSA-N 458.478 2.349 10 20 JECD Cn1ccc(=O)cc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811806454 NUVTXUAFCWVHPY-VFNWGFHPSA-N 482.924 2.478 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)Cc2cccc(F)c2)[C@@H]1c1cccnc1 1814185913 ICWMPKIHDHQICK-VGOFRKELSA-N 486.594 2.330 10 20 JECD CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)COC1 1818145703 FZKIWAFLIXQGLI-GOSISDBHSA-N 450.499 2.231 10 20 JECD C[C@]1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)CCCN1 1820818095 ABXZZKUTZAAYGJ-YADARESESA-N 463.542 2.337 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@H](O)Cc1ccccc1 1822079366 IITHCCAEDNWVLY-ZWKOTPCHSA-N 451.483 2.125 10 20 JECD Cc1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823498221 NZNYSZSLHOERAR-OAHLLOKOSA-N 458.569 2.279 10 20 JECD O=C(c1cnc(OCF)cn1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827426812 IFKMPWMGZQFSBJ-QGZVFWFLSA-N 459.478 2.136 10 20 JECD Cc1ccc(C(=O)C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc1 1828249654 KSZJHLBIWDRVAM-ZDUSSCGKSA-N 488.616 2.107 10 20 JECD Cc1n[nH]c(C)c1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1830438951 IWYBUFLSZNNQNK-GOSISDBHSA-N 477.656 2.049 10 20 JECD COC(=O)CSCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876152 CQOXKUQXTPEWPC-JHTBKMLMSA-N 492.594 2.343 10 20 JECD Cc1[nH]ccc1C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835214852 WNQHWFMOAMCEMP-UHFFFAOYSA-N 476.581 2.301 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1Cl)CCO2 1838865550 JLMJLIHANMKKEX-RUZDIDTESA-N 496.951 2.203 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)o3)C2)C1 1839434230 WEPHUEYOTNHOGH-FQEVSTJZSA-N 471.293 2.381 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ncc(OC(F)F)cc2Cl)C1 1842239789 OKLPEDUXQWKYHS-UHFFFAOYSA-N 490.941 2.014 10 20 JECD O=C(c1cnc2c(F)c(F)ccc2c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055229 MIXAJNVPAUJUHQ-UHFFFAOYSA-N 476.530 2.190 10 20 JECD CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1847079324 GGMMILXJOPNUAG-TXGSYGBCSA-N 499.564 2.418 10 20 JECD COC(=O)c1ccc(N2CCN(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)[C@H](C)C2)cc1 109958555 PSGQQRADUDRVKL-HXUWFJFHSA-N 466.582 2.341 10 20 JECD C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 727601409 URLGOFJYFYGWLY-PXNSSMCTSA-N 487.626 2.199 10 20 JECD C[C@@H](OC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 748966054 ATGHYJPCDLKZLZ-CQSZACIVSA-N 492.509 2.435 10 20 JECD CCn1c(O)nc2cc(C(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)ccc2c1=O 916744567 HWOIWOIPQDFVTR-UHFFFAOYSA-N 465.554 2.073 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NC[C@@]3(N4CCOCC4)CCSC3)cc2F)C[C@@H](C)O1 918214953 QVWGPLFVGVPYOB-IXFSTUDKSA-N 466.623 2.446 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cn4cncn4)cc3)cc2F)C[C@@H](C)O1 918287678 RFINADXLDOLTJM-IAGOWNOFSA-N 466.517 2.334 10 20 JECD Cc1cccc(C)c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1781022142 AIJIJAVDBPZHFP-UZUQRXQVSA-N 475.636 2.291 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc2nn[nH]c2c1 1781442764 RWUVCDXEQSCBCO-AUSIDOKSSA-N 485.928 2.464 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)cc1 1781753358 GSCFXQQHBFAZPP-HHHXNRCGSA-N 474.561 2.400 10 20 JECD O=C(c1cc(Cl)c2nncn2c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007567 UGWMRRDKSQYKMM-OAQYLSRUSA-N 492.319 2.205 10 20 JECD CCN(CC)C[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009189 TWHZHRDBNPTRRE-IVZQSRNASA-N 453.967 2.173 10 20 JECD Cc1nccn1[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783222701 KOHOOMJUAQWVSZ-OCXASNAESA-N 484.553 2.097 10 20 JECD CSCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785503941 UUQAPFLFUUGZOS-YHCZKZFASA-N 450.557 2.036 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccc3occc3c1O)CCO2 1785510306 VEISRQICKVJGQJ-GVKJAXJASA-N 480.473 2.412 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1cccc(-c3ccccc3)n1)CCO2 1785539345 AWEBKXYALHFYEZ-XMMPIXPASA-N 496.614 2.052 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)C1(c3ccc(Cl)cc3)CC1)CCO2 1785547257 VYZSREPQHFUMQV-NRFANRHFSA-N 494.038 2.062 10 20 JECD C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1)[C@H]1SC(=N)NC1=O 1788427908 DVDIMRUJBIGMQD-PIGZYNQJSA-N 469.523 2.043 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c(C)n1 1789108773 MYFGSAGZQJQDBD-HARLFGEKSA-N 475.549 2.085 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnc4nc3O)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790246338 YQXMDMOWISJLKT-AXHNFQJDSA-N 498.923 2.307 10 20 JECD O=C(CCc1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1794182144 FRLPRWAQSZNSMO-GPVSGQMNSA-N 466.563 2.063 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc(O)nc(Cl)c1 1794414369 MHWXYUFVIMPHFV-DPIQGUFMSA-N 468.293 2.022 10 20 JECD COc1cc(OC)c(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)c1F 1795927662 GOICXXPFOHTOIN-CLLJXQQHSA-N 463.437 2.354 10 20 JECD CC(F)(F)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796480961 ZDRUFMUCSAQVOF-CCWDJLKJSA-N 462.497 2.050 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCCCC1(F)F 1797206457 ILDKYWFRKKHDNB-BORIIKKCSA-N 492.498 2.287 10 20 JECD CN1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1803943254 GEEKCGPNOKCTKO-AOPCHSIOSA-N 466.538 2.012 10 20 JECD COc1cncc(CCC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1807994234 TZRWFAQTXXLPPL-MHECFPHRSA-N 477.521 2.244 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2nccc3[nH]ccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994451 SAOAIGTZWOUCBN-NYHFZMIOSA-N 458.478 2.398 10 20 JECD CN(C)C(=O)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1808001026 KWMOXCBVLWXSPE-WMZHIEFXSA-N 489.532 2.223 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccc2c[nH]nc12 1808057777 BDSQHHMTCJEFQR-AOMKIAJQSA-N 458.478 2.398 10 20 JECD COCc1oncc1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1808824336 ZAYXAXAYOUVOGV-NGOAQKHGSA-N 494.504 2.366 10 20 JECD Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1O 1810653802 RAMFUUJJYGPKSH-DYESRHJHSA-N 484.603 2.276 10 20 JECD Cn1c(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)cccc1=O 1811797485 GIATUTOJZLUYJC-YCRPNKLZSA-N 482.924 2.478 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc(=O)n2O)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811797968 JOBJTYXZGHJFSU-VBKZILBWSA-N 484.896 2.179 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1817329377 RGUBRLISFNYRBL-CZUORRHYSA-N 487.611 2.158 10 20 JECD COc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1 1822098867 OEBJVSCRYVDRQJ-GFCCVEGCSA-N 476.605 2.238 10 20 JECD CC(C)N1CCC[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1823024908 LHSJSNUOYPWLDS-CVEARBPZSA-N 478.644 2.135 10 20 JECD Cn1cncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1826042011 IXAWOZJRVNHQKQ-IWHGQQBYSA-N 454.527 2.484 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(Cl)o1)CC2 1828245043 XIXBPLFRUBQBCW-MRVPVSSYSA-N 470.985 2.476 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828246552 AZWHMILYTUDFEH-JSGCOSHPSA-N 489.648 2.189 10 20 JECD CCCc1onc(C)c1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1835196406 XQXNVDUSLKXUJQ-UHFFFAOYSA-N 471.558 2.241 10 20 JECD Cc1ccn(C)c1C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836193236 UBRHYJRYBCYNLV-UHFFFAOYSA-N 490.608 2.312 10 20 JECD CC(C)(C)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)s1 1836418299 MIHLDSWXEMSPDH-HSZRJFAPSA-N 475.567 2.236 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)cc1)CCO2 1838956122 BCBOZNJYXRJEQT-JOCHJYFZSA-N 464.877 2.274 10 20 JECD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1839348172 FKGYYIGHEMELAX-WEPTWERGSA-N 494.592 2.204 10 20 JECD CO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839349262 MCODMLCCDKROMS-NBGIEHNGSA-N 455.555 2.199 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2cnn(-c3cccnc3)c2)C1 1842268525 OYDYYSDVWZSTJB-UHFFFAOYSA-N 453.886 2.463 10 20 JECD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847033772 CKYNKRFCRYWGMT-XVNBXDOJSA-N 471.441 2.310 10 20 JECD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)n2)cc1 731059067 PVPWFLHAHHFKLR-UHFFFAOYSA-N 494.620 2.327 10 20 JECD Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 914452459 PGVUHUBKSFBCOY-UHFFFAOYSA-N 493.497 2.387 10 20 JECD NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 916457392 ATZLMLPSAPOQSI-UHFFFAOYSA-N 471.501 2.438 10 20 JECD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 916674263 WROOWHHQKVFPKL-UHFFFAOYSA-N 493.605 2.425 10 20 JECD COc1ccc(-n2c(C)cc(C(=O)NS(=O)(=O)c3cccc(-n4cnnn4)c3)c2C)cc1 916764231 HQALWYPVKMXCAO-UHFFFAOYSA-N 452.496 2.197 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc4nc(O)nc(O)c4c3)cc2F)C[C@H](C)O1 917919237 WYNLRASSNQQBDG-STQMWFEESA-N 462.503 2.272 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)N1C[C@H]2CCCN2c2ccccc21 918438446 PFRPEJQHQHCNHT-GOSISDBHSA-N 452.530 2.419 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cccc(NC(N)=O)c3)cc2F)C[C@@H](C)O1 918984559 HQOQXTLWUUGBSD-GASCZTMLSA-N 458.490 2.403 10 20 JECD CCOC(=O)N1CCC[C@@H](C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 919063512 WOUJCTHCJSZIEA-ZIFCJYIRSA-N 479.549 2.467 10 20 JECD Cc1cc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1cccc(Cl)c1 920662060 KFIOTTRLRZYVSH-FQEVSTJZSA-N 494.013 2.236 10 20 JECD O=C(COC(=O)[C@H](c1ccccc1)n1cccn1)NCc1ccc(N2CCOCC2)c(F)c1 920910305 VRWBYJZACJRSNY-QHCPKHFHSA-N 452.486 2.308 10 20 JECD CC(C)CN1C(=O)/C(=C/Nc2cc(Br)ccc2N2CCOCC2)C(=O)NC1=S 920979266 DNFOPCYXPXXLTF-GXDHUFHOSA-N 467.389 2.481 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)C2)C1 1780316009 CGMCVKZPRYQSTM-HSZRJFAPSA-N 483.912 2.294 10 20 JECD O=C1CC[C@@H](C(=O)Nc2ccc(C3(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CCC3)cc2)N1 1787783441 KDQMXGCYDGELGN-IBGZPJMESA-N 459.506 2.192 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc(-c2ccccc2)nc1 1789098959 DMZJRTYIZYVWGK-VCOUNFBDSA-N 474.517 2.462 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]nc2ccncc12)C1=NN(c2ccccc2)C(=O)C1 1796657417 CUMJCMXEGRZFTL-ACHSLPGTSA-N 457.494 2.003 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccn2cncc2c1 1796934494 KVHQPLWYPLIWIJ-FNLKRUPLSA-N 456.506 2.379 10 20 JECD Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1806667013 NKCBJWYIIFDSAQ-WZONZLPQSA-N 498.630 2.335 10 20 JECD CCc1ccnc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1807889715 KFODCWBATHKRPY-UWJYYQICSA-N 483.619 2.219 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998131 ISHLTNQOPMSSMB-MCHIPWSUSA-N 499.527 2.117 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2ccc3c(c2)CCO3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998568 MHESFUFEMQBMDZ-DFBJGRDBSA-N 474.517 2.385 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1807999731 FQIQUPGGOFBTJP-FDDCHVKYSA-N 475.505 2.480 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)n1cccn1 1808470182 TZYLDVHCGLPGRS-FPGHNAPASA-N 485.548 2.338 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccc2ccnn12 1812085840 MMJUKRFUXHOHOY-OPAMFIHVSA-N 458.478 2.169 10 20 JECD Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1814186773 WWPWTAJPXYOSCG-XXBNENTESA-N 482.631 2.499 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@H]1CC(=O)N(C2CCCC2)C1 1815612365 NQPSFSOQLHHMNV-YJBOKZPZSA-N 482.541 2.313 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)c1cc2n(n1)CCNC2=O 1816625835 IZKLBOWXPZSXRH-HNNXBMFYSA-N 499.915 2.034 10 20 JECD Cn1cc2cc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)ccc2n1 1816728299 FTNMKBBPTRGICS-CQSZACIVSA-N 464.507 2.376 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3nccn13)CC2)c1cc(O)nc(O)c1 1816729530 VDXFSGOZXDZBRW-GFCCVEGCSA-N 450.480 2.137 10 20 JECD Cc1ccn2ncc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cc(O)nc(O)c3)CC4)c2c1 1816934426 MOSWUBIKZPVXNR-ZDUSSCGKSA-N 464.507 2.445 10 20 JECD Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1817599827 ZYUNCAMNTCKVLM-GFCCVEGCSA-N 481.563 2.322 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CNC(=N)N)CC3)cc1 1823438149 DOKPBBDTYMOYQJ-MRXNPFEDSA-N 465.583 2.260 10 20 JECD Cc1cccc(CCC(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)n1 1828239700 CORBBWGHJHCMKR-AWEZNQCLSA-N 489.648 2.252 10 20 JECD Cc1ccn(C)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901048 NPRZDYQHOJFJJB-QGZVFWFLSA-N 462.641 2.427 10 20 JECD O=C(c1cnc2cccc(Cl)c2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836419361 DSCKSOQCOSRIJH-DEOSSOPVSA-N 498.923 2.078 10 20 JECD CC[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CC1 1840881202 IEYOXNCCMKKKLH-WYWGUVAKSA-N 488.581 2.489 10 20 JECD O=C(c1cccc(-c2cnco2)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054282 DJTHKQKDZVNZOP-UHFFFAOYSA-N 456.549 2.019 10 20 JECD CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3ccc(N4CCOCC4)cc3)c([N+](=O)[O-])c2)CC1 15141612 MDBGUHAQGFPNQF-UHFFFAOYSA-N 489.598 2.004 10 20 JECD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 728209789 PMZDIYWOGRBLAW-OXQOHEQNSA-N 475.615 2.141 10 20 JECD C[C@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)N1CCC(C(N)=O)CC1 823026850 BJZCPFKICHELSW-LBPRGKRZSA-N 468.893 2.385 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c(C)n1-c1ccccc1 914667790 GPVYPBAFKNEANV-UHFFFAOYSA-N 495.557 2.254 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cccnc3-n3cccn3)cc2F)C[C@H](C)O1 919057530 JNBLDPNZTXMOMG-IRXDYDNUSA-N 467.501 2.493 10 20 JECD CCO[C@H]1C[C@H]1C(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 919427617 OVNWFOVNXBXANA-GGAORHGYSA-N 490.578 2.266 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 920677061 ADWDGRCKJCMDOM-VOCPSOEZSA-N 492.576 2.058 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)c1ccco1)C2)c1cc(O)c(O)c(Cl)c1 1781119174 CCWMFVYEYJCZDP-ZWCUEREDSA-N 464.902 2.205 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ccccn13)CCO2 1782005648 SSZIUSVJVCDFPF-JOCHJYFZSA-N 456.886 2.156 10 20 JECD Cc1cc(C)n2ccc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)c2n1 1785509813 GJOWYPGTWILJIS-JFAKYYBVSA-N 492.532 2.225 10 20 JECD COc1ccc(C)c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785510209 SVNXPEDFWPIHAY-AAHGLTIQSA-N 468.506 2.277 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)ccc1O 1790073537 QFQOLAXWTZRAAB-QPWMFYLTSA-N 468.506 2.124 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)Cn2cncn2)C3)cc1 1799621040 ZSYHDOXQCCNHAV-MDTJBUOBSA-N 476.581 2.225 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(-c2cnco2)c1 1800550889 BDKDZWHTXBTLCD-BJWYYQGGSA-N 470.576 2.454 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cnn(-c2cccnc2)c1 1805075068 QQNDIBZTACYTBV-SBUREZEXSA-N 485.504 2.102 10 20 JECD Cc1ccccc1NCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1807298240 DJMUJKGFDSEVCH-JPYJTQIMSA-N 497.646 2.368 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807993142 DNNBIENZVNFZML-QNIAMRLHSA-N 487.560 2.264 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3nccnc3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995277 FZHFGYYHGFLRQO-GAJHUEQPSA-N 470.489 2.464 10 20 JECD CN(CC(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1)C(=O)OC(C)(C)C 1809384585 XEJMRFGGQPUDBH-UHFFFAOYSA-N 462.547 2.205 10 20 JECD Cc1cnc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1814185268 ARTSMKFJROAIRR-PBHICJAKSA-N 475.621 2.026 10 20 JECD CC(=O)N[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)C(C)(C)C 1815057797 KCBWKCAENHWLHN-HNAYVOBHSA-N 458.519 2.073 10 20 JECD Cc1nc2ncccn2c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1818669064 GWSIORMOCOXZLM-HNNXBMFYSA-N 462.470 2.187 10 20 JECD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)N1CCN(C)CC1 1820789921 QNPLYQTYSVKXCL-RDTXWAMCSA-N 490.992 2.416 10 20 JECD O=C(Cn1ccncc1=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1821658447 FJCLRBVSLICSGD-OAHLLOKOSA-N 472.889 2.037 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cc[nH]c3nccc2-3)[nH]n1 1823497295 CHLHDACIQOPZAH-OAHLLOKOSA-N 483.579 2.404 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cccn3nccc23)CC1 1830918566 YGNDMUFCSZKSPX-SFHVURJKSA-N 485.635 2.428 10 20 JECD Cc1nccn1[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899350 FOKCSMUKKNPBQG-CRAIPNDOSA-N 477.656 2.233 10 20 JECD Cc1cn(CC(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)c(=O)nc1O 1846970282 ZNZVFOAIIYHGJA-UHFFFAOYSA-N 475.549 2.182 10 20 JECD C[C@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 105205273 PQXWFFGOHOVKCU-UONOGXRCSA-N 453.472 2.281 10 20 JECD NC(=O)c1cc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1F 726725871 GJUHJHGATIWBTF-UHFFFAOYSA-N 450.417 2.250 10 20 JECD COc1cccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)c1O 729859192 JTZPVTFVEFSJMG-UHFFFAOYSA-N 469.479 2.114 10 20 JECD NC(=O)COc1ccccc1C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 757783736 RUIWBMRVOGDVEI-UHFFFAOYSA-N 458.426 2.122 10 20 JECD O=C(COC(=O)Cn1c(=O)nc(O)c2ccccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O 809001447 LCMUFKIVVFFSHR-UHFFFAOYSA-N 483.436 2.059 10 20 JECD NC(=O)[C@@H]1CC(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)=NN1c1ccccc1 917381012 RDNDCGKIWNWGII-FQEVSTJZSA-N 475.471 2.278 10 20 JECD C[C@@H]1Cc2cc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)ccc2N1S(C)(=O)=O 917832840 HLMOORHDCROYLM-APWZRJJASA-N 470.595 2.029 10 20 JECD Cc1ccc(C(=O)N[C@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C(C)C)cc1 918334944 IZZUMNUPENIERD-QFIPXVFZSA-N 457.596 2.301 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 918554858 TZLIUHQWISMVGG-IBGZPJMESA-N 457.552 2.348 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)C3=NN(c4cc(C)ccc4C)C(=O)CC3)nc12 918812014 ABCCZHZOWXUPBT-UHFFFAOYSA-N 465.466 2.455 10 20 JECD CC(=O)N[C@@H](C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CCCC1 919697797 KIRFHHXXXIHQPX-JOCHJYFZSA-N 454.550 2.253 10 20 JECD COCCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1F 920192687 NIQZUZMQNXXXQY-UHFFFAOYSA-N 463.481 2.206 10 20 JECD CC(C)O[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1779467646 VUIQPAJPYPHJJM-NXQMDHLFSA-N 470.570 2.107 10 20 JECD CC(C)O[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1779475191 RSVQNBHPZUZJSW-XSWYBDDVSA-N 462.543 2.144 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)CC1 1782003209 GDPYJWOVXDREOB-NPGVVQFXSA-N 480.945 2.174 10 20 JECD C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2)Oc1ccccc1 1782879544 LDUFFZQMZWNLIR-HRFSGMKKSA-N 490.560 2.467 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(-c4ccccc4)n3)C[C@@H]21)c1cc(O)nc(O)c1 1787292021 NEYDHZMLUAWYQJ-JLMWRMLUSA-N 474.517 2.462 10 20 JECD C[C@H](C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1)n1ccccc1=O 1792315142 INVOCTFUEYNJLS-OAHLLOKOSA-N 484.603 2.404 10 20 JECD Cc1ccccc1-c1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796137679 DALKMKSQCLMIQM-FEJSZKPUSA-N 474.517 2.380 10 20 JECD CCn1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c2ccccc21 1796484061 QNGMSAQLFJNWKI-QDMKHBRRSA-N 471.608 2.168 10 20 JECD CCCNC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1803449336 RJXPSXDZGMLRJH-QZVANXIOSA-N 496.564 2.224 10 20 JECD CC[C@H](C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)N(CC)CC 1803705805 KUMQZNDDJNUAML-OPYAIIAOSA-N 491.683 2.068 10 20 JECD Cc1cccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1806568808 WJODSUHRQNBBBD-WMZHIEFXSA-N 482.631 2.499 10 20 JECD Cc1nc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccc1F 1807991948 UAWXPRHLECTJIJ-BTYIYWSLSA-N 451.458 2.364 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1[nH]cc2c1CCC2 1811291686 BACAEFDTSYTTSI-HRAATJIYSA-N 483.619 2.078 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(CO)on2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811806788 SKPYPCGNWHCLRU-BFUOFWGJSA-N 472.885 2.260 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccc(O)nc2)[C@@H]1c1cccnc1 1814164271 XFPFWEXHGRBSES-LTETZXIYSA-N 476.489 2.332 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1c1cccnc1 1814166265 PJQTXDKHCNQOPM-WECWAZGBSA-N 479.533 2.485 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc3ncoc3c2)[C@H]1c1cccnc1 1814189291 ODEWVGZMAKHIPD-KKSFZXQISA-N 495.586 2.403 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1cnsn1 1816165792 CQLJZOVAXPUOOP-QGZVFWFLSA-N 464.511 2.360 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)c21 1816727349 QCRMZPQXPVMSPM-LLVKDONJSA-N 480.506 2.081 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnn3cccc(F)c13)CC2)c1cc(O)nc(O)c1 1816728294 FHBOOWKXKKMEAF-NSHDSACASA-N 468.470 2.276 10 20 JECD COc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)cc1NC(C)=O 1821426838 LTZOPNJUQMCVSV-CQSZACIVSA-N 497.533 2.456 10 20 JECD Cc1ccc(C(=O)C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cc1 1823499651 RRBLXAGPEAGWTI-INIZCTEOSA-N 485.591 2.453 10 20 JECD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)COC1 1827715105 LCLFCIWOMJATGW-OAQYLSRUSA-N 452.555 2.436 10 20 JECD COCCOCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715663 OUMBDESNIKXNNC-JOCHJYFZSA-N 470.570 2.062 10 20 JECD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)c1ccc(Cl)cc1 1830261226 RZVHNMDDKOFOBC-CMJOXMDJSA-N 475.929 2.020 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cnccn4)CCO3)C2)cc1 1830966620 FCVWPRDNYVQFFQ-HHHXNRCGSA-N 489.576 2.197 10 20 JECD C[C@](O)(C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)C(F)(F)F 1833644069 IDFFJVJDWBXVDY-FQEVSTJZSA-N 493.910 2.250 10 20 JECD COc1ncc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1C 1837584943 ULXKFFQYGLYLEZ-UHFFFAOYSA-N 470.526 2.131 10 20 JECD Nc1nc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)cs1 1837892835 OWIWSYWTZWSOSB-DUXPYHPUSA-N 488.566 2.168 10 20 JECD Cc1nc(F)ccc1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838029942 SWZCOMGUVODAHX-UHFFFAOYSA-N 458.490 2.261 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)CCN2C(=O)Cc3ccccc3C2=O)C1 1841402262 DLAZQCFQOVUKEP-UHFFFAOYSA-N 497.935 2.183 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cccc(-c3cnco3)c2)C1 1845415609 HJKJQVLDZPKDKK-UHFFFAOYSA-N 456.549 2.019 10 20 JECD O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(-n2cnnn2)c1 726600146 COSTXQMMOYTOOL-UHFFFAOYSA-N 450.471 2.211 10 20 JECD Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)sc2n1 729762730 SVAKSBYHVISTET-ZDUSSCGKSA-N 476.580 2.047 10 20 JECD Cc1oc2c(CN3CCN(S(=O)(=O)N(C)C)CC3)c(O)ccc2c(=O)c1-c1ccccc1 914568254 YXSNZDNEWKIPEJ-UHFFFAOYSA-N 457.552 2.398 10 20 JECD CN(C)c1ccc(CNC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)cn1 914863716 HWPKHBTZROGGNT-UHFFFAOYSA-N 471.495 2.492 10 20 JECD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(C(=O)N4CCOCC4)cc3)cc2F)C[C@@H](C)O1 917918469 PLLPBTPDILTACB-QZTJIDSGSA-N 491.585 2.390 10 20 JECD CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 918278707 XYLNGYJBXIBSML-UHFFFAOYSA-N 478.471 2.085 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3-n3ccnn3)cc2F)C[C@@H](C)O1 918289659 ZNHHJRNMMQVGNP-HZPDHXFCSA-N 452.490 2.275 10 20 JECD C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)NC1CCN(Cc2ccccc2)CC1 920638429 ZRHNZTOPZANJMG-MRXNPFEDSA-N 475.567 2.090 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccc(N2CCOCC2)cc1 920924483 CINWHJUQRZSFOV-HTAPYJJXSA-N 466.538 2.457 10 20 JECD CC(C)(C)OC(=O)CCCC(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785503615 MHSKMGFMDQLNPY-NRGMSUJUSA-N 490.553 2.159 10 20 JECD CCNC(=S)NCC(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1791034001 QHOYMDAHVUVABE-UHFFFAOYSA-N 492.605 2.397 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)cc1Cl 1792237530 MNRDJXFVEGEZBY-ZOBUZTSGSA-N 482.027 2.102 10 20 JECD COc1cc(C)c(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796481255 WUSSUZQNHGMTNP-HBNMSFMJSA-N 490.560 2.308 10 20 JECD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)nn1C(F)F 1799769100 MHEFAEKIRPKPMR-DRXBFXEBSA-N 470.860 2.168 10 20 JECD COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(O)c1OC 1800572284 FJAFPYAQOIMCBZ-VBUUOAMHSA-N 492.532 2.454 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3c(Cl)cccc3n1)C2 1802079637 NTLRNJIHQVYJKW-XENLCIIUSA-N 498.923 2.021 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)C1CCC(CO)CC1 1804216025 LHJWKQNLVRZUOA-MNXHBVJMSA-N 454.527 2.006 10 20 JECD Cc1ccc2oc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CN3C(=O)CSC3=S)cc2n1 1804333768 SBKOWNQCZHOCOT-BTTYYORXSA-N 458.565 2.248 10 20 JECD O=C(COc1cccc(Cl)c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804334123 BBEOKTATCPZARK-QDMKHBRRSA-N 468.000 2.217 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)COc2cc(Cl)ccn2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996145 YUNYUDZFPHQPSC-NYHFZMIOSA-N 483.912 2.335 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3cnccc3n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996456 SWKDYUJMNVSHMH-HXOBKFHXSA-N 470.489 2.464 10 20 JECD O=C1CC(C(=O)N2CC[C@H](CNC(=O)[C@H]3CC[C@H](O)CC3)[C@@H]2c2cccnc2)=NN1c1ccccc1 1813186795 QYCOWTNLELVUPD-HWZPKBPFSA-N 489.576 2.431 10 20 JECD CC(C)(C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162887 XSTLUUIFPKFVNK-ZQAKOCHRSA-N 469.538 2.325 10 20 JECD O=C(CCc1cccnc1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1817635795 KULIXESBRXXKHP-MRXNPFEDSA-N 472.596 2.290 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ncccc1F 1819978310 PKAOSFPRXPKKTD-ZDUSSCGKSA-N 462.532 2.110 10 20 JECD C[C@@H](Cn1ccnc1)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828200059 JSHYPCVWGPPENB-XZRLNXKWSA-N 483.550 2.418 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CC=CCC1)CC2 1828247225 QFIPIOAEJYGOBD-NWDGAFQWSA-N 450.611 2.272 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3(F)CC3)C2)C1 1829037481 MOJKLAXUXCBAAX-DEOSSOPVSA-N 498.511 2.061 10 20 JECD Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)ccn1 1832902021 WTPNDUMTPMHYII-SFHVURJKSA-N 460.625 2.484 10 20 JECD Cc1ccccc1NCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834986974 OFQQWPCOZNVKOK-UHFFFAOYSA-N 467.570 2.099 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837869932 VOSMECXJGNCOPG-INIZCTEOSA-N 469.542 2.001 10 20 JECD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)N1CSCSC1 1838029696 BPGZWZCKAXPQBC-OAHLLOKOSA-N 496.655 2.148 10 20 JECD CC[C@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348638 ZUUDHHYVFBKDRR-OZXSUGGESA-N 468.598 2.162 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C)COC4)C3)C2)cc1 1839349012 ZFSPCIPLDXVXMH-AREMUKBSSA-N 467.566 2.201 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433193 OZOPAORGHQGBOX-GYCJOSAFSA-N 489.956 2.095 10 20 JECD CCCCC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1839902240 LYYXXIGNIGVWLA-IBVKSMDESA-N 484.597 2.452 10 20 JECD CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1847430259 BOWSBQYPNWOIGL-UFYCRDLUSA-N 482.537 2.403 10 20 JECD Cc1cc(C)n(CCC(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)n1 11593898 DUUAYJPEUGCSJU-UHFFFAOYSA-N 458.540 2.371 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCc3ccc(N(C)C)cc3)CC2=O)cc1 18215215 QDKHKIZIWMDVQT-IBGZPJMESA-N 472.611 2.452 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc(NCCO)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 728324498 BFVPSPHFEUALRD-UHFFFAOYSA-N 471.535 2.185 10 20 JECD COC(=O)CCNC(=O)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 916673888 QZRUYCWGEYFIHJ-UHFFFAOYSA-N 458.490 2.277 10 20 JECD O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 917023345 YNSMXNNCZMGJIW-UHFFFAOYSA-N 454.546 2.173 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 917832827 HKDOHRSYEOZWPB-FQEVSTJZSA-N 472.611 2.349 10 20 JECD CN(C)C(=O)c1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1Cl 918309711 FTTXRNIJXJOSCD-UHFFFAOYSA-N 458.946 2.476 10 20 JECD Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)n2nc(C)cc2n1 919528284 BDZFUDTZYZJTGW-UHFFFAOYSA-N 481.534 2.441 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc([N+](=O)[O-])c(O)c1 919761507 GDXAJKDWLHWEJT-UHFFFAOYSA-N 452.446 2.486 10 20 JECD Cc1ncc([N+](=O)[O-])n1CC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 920750763 BDLSPPYHCABBSF-UHFFFAOYSA-N 487.538 2.411 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NS(=O)(=O)C(F)F 1323314560 FLRMIDHIIIWSEJ-WEVVVXLNSA-N 471.326 2.319 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc(O)cc1F 1780940731 FNZHFSJBCNMYLF-XYUUTWJASA-N 486.496 2.489 10 20 JECD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)N(C)C(=O)OC(C)(C)C 1781038515 QVTPIPDQCOHMPG-FATZIPQQSA-N 497.976 2.450 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781751302 GTDQDNGDUMLFOM-FNZWTVRRSA-N 466.582 2.452 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3CNC(=O)C3)C2)cc1 1781779543 DGXKXAJNDWFERV-VBANMALSSA-N 478.593 2.358 10 20 JECD CCC[C@H]1CC[C@H](C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)CC1 1783369010 GIPLAIAYPKUMGT-HOIFWPIMSA-N 467.657 2.283 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)c3ccccc3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242063 JXBGXDGMWVTJPS-QOKNQOGYSA-N 458.898 2.227 10 20 JECD O=C(Cc1cccc(F)c1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1790983159 CMJUMGODOUCKQR-JLMWRMLUSA-N 496.514 2.280 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796935691 ZXBVUHHYGSIFQP-UFGBVDADSA-N 451.571 2.290 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc(-c2ccccc2)[nH]n1 1798666203 GWFUISSVNRJOCK-RZMQENIISA-N 490.516 2.110 10 20 JECD C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)Oc1ccccc1 1804336279 NSENTXFRUCYCSG-WCXIOVBPSA-N 461.609 2.343 10 20 JECD COc1ccc(CC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)cc1O 1805180018 LMKZNZBBTIVGMQ-UHFFFAOYSA-N 491.635 2.035 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994316 GPYGJYXILRTKTO-SBUREZEXSA-N 485.504 2.306 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccn(C(F)F)c1=O)CC2)c1cc(O)nc(O)c1 1816726329 SSBFNCZWBPQHBJ-JTQLQIEISA-N 477.449 2.046 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3c(c1)OCO3)CC2)c1cc(O)nc(O)c1 1816726513 ZJAXAOMDZMGNMM-LBPRGKRZSA-N 454.464 2.218 10 20 JECD CCOC(=O)O[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361852 IWNRVALJUAUQJG-UONOGXRCSA-N 499.549 2.410 10 20 JECD O=C(CCc1ccoc1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822923461 DTUDDLFUOKADPP-OAHLLOKOSA-N 461.569 2.488 10 20 JECD O=C(Cc1cnc[nH]1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877609 UNTFGFVSIPNHKY-XZXOBPBMSA-N 454.527 2.402 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1cn2cccnc2n1 1835548534 QDKUTPHVQVPJCP-UHFFFAOYSA-N 498.971 2.293 10 20 JECD COc1cccnc1CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837145243 GDHKSEOTRYJICC-UHFFFAOYSA-N 484.553 2.141 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)c3ccccn3)CC2)CC1 1837413996 RCJNDHWDSUEGNQ-UHFFFAOYSA-N 475.549 2.487 10 20 JECD Cc1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1838900023 FQPSIDJLDLZVRC-HSZRJFAPSA-N 460.914 2.443 10 20 JECD C[C@@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CC=CCC1 1840881534 GEYANBJOZWENOS-PHAMHXOGSA-N 472.538 2.019 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])C1 1845405449 OSYJNUMJHYHDQB-UHFFFAOYSA-N 465.441 2.344 10 20 JECD CC(C)(C)OC(=O)N1CC(CC(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1847025230 DFMXYHWXESBSGM-SOFGYWHQSA-N 487.553 2.277 10 20 JECD CCc1nc2ccc(Cl)cn2c1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054160 GLMYVENNUHQOLF-UHFFFAOYSA-N 492.026 2.227 10 20 JECD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)C1 1847151635 GENSZYBYXXRSGT-QGZVFWFLSA-N 495.960 2.204 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CCc3ccccc3[C@@H]2O)=NN1c1ccccc1 1847598168 ONVWPHBBPOLPIB-IVIIFCHOSA-N 472.545 2.277 10 20 JECD COC(=O)CCOc1ccc(NC(=O)C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 747560079 UPUBTUSPOXHBIX-UHFFFAOYSA-N 455.511 2.315 10 20 JECD CO[C@H](C)CC(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 750155597 MSXKFGRBVMBMDF-QGZVFWFLSA-N 478.567 2.266 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCCN(C[C@@H]4CCCO4)CC3)cc2F)C[C@@H](C)O1 917052734 MLDBSACXANVNNT-VWPQPMDRSA-N 462.610 2.242 10 20 JECD COc1ccc(C)cc1N1C[C@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1=O 917832758 FXUUWRHJPRARPT-WOJBJXKFSA-N 464.566 2.375 10 20 JECD C[C@H]1Cc2cc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)ccc2N1S(C)(=O)=O 917832842 HLMOORHDCROYLM-QFBILLFUSA-N 470.595 2.029 10 20 JECD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 917834979 VWBJHDHGVOEMSE-ICSRJNTNSA-N 490.651 2.228 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cc2F)C[C@@H](C)O1 918288430 VFHCREYBWPVBKK-IAGOWNOFSA-N 486.544 2.161 10 20 JECD Cc1cc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2)no1 918373023 RKJXTWPURYRRSP-IBGZPJMESA-N 497.577 2.416 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 919790634 VARWBHLUIJAFJZ-UHFFFAOYSA-N 479.002 2.393 10 20 JECD CCOc1ccc([C@@H](C)NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1OC 920637378 APGXZMXNXUMGHU-CYBMUJFWSA-N 466.512 2.205 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(N2CCOCC2)cc1 920927344 UVYMKRFBQHNURV-CQSZACIVSA-N 467.494 2.335 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2)C1 1317985671 RCJGKMXISPHCDT-NHCUHLMSSA-N 463.582 2.020 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1778921494 QAMBZFOGFFTDGQ-VJAVOHLOSA-N 467.522 2.147 10 20 JECD COc1ccc2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)[nH]c2c1 1785505522 JZLNVVNAZWHCHU-QBHGEWLWSA-N 493.516 2.450 10 20 JECD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc(OC)c1C 1785511340 FVPUGXPPCVTRBK-MXDXTTGUSA-N 498.532 2.286 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)CC1 1799770072 DVWKJFUVWFKDKB-XOIINTDNSA-N 495.960 2.012 10 20 JECD O=C(CN1CCCC1=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1806924553 UJJLYDZNVZPRTD-BTYIYWSLSA-N 472.929 2.088 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2n[nH]c3ccccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996394 RDHOYAGZWVOZNV-NYHFZMIOSA-N 458.478 2.398 10 20 JECD O=C(CCn1cncn1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1813320502 PZXRNWRHHUVWLC-FOIQADDNSA-N 470.917 2.148 10 20 JECD Cc1n[nH]cc1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814163822 NCBBEQDPOCXWBB-IRUILINGSA-N 463.494 2.263 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2nc3ccccc3o2)[C@H]1c1cccnc1 1814190297 WESYPWPVIVQBOB-QRWLVFNGSA-N 495.586 2.403 10 20 JECD CN1CCC[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815488904 RYSCEJHWJDFUJJ-PMACEKPBSA-N 463.542 2.289 10 20 JECD COc1nccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)c1F 1815819371 RIXYBNQFZKWFIV-SNVBAGLBSA-N 459.459 2.032 10 20 JECD COc1nn(C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1816314158 NYXGXLWWPNQSOC-MNDMWVCDSA-N 482.497 2.288 10 20 JECD Cc1cnn(CC(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)c1 1817362408 NZZMOISCALYZLC-OAHLLOKOSA-N 477.550 2.053 10 20 JECD COC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362809 AFAIVYFOAGLSNF-ZDUSSCGKSA-N 455.540 2.273 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc[n+]([O-])c1)CC2)c1cc(O)c(O)c(Cl)c1 1823708128 MRKJBQAPESUHMJ-LBPRGKRZSA-N 460.899 2.381 10 20 JECD O=C(COc1ccccc1F)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1825458189 ONCMKSYDLZYREE-LBPRGKRZSA-N 458.471 2.393 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)Cc2cccnc2)CC1 1827207312 JEMMPZSZHYYMDW-GOSISDBHSA-N 460.625 2.104 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3ccccc3n1)CC2 1828244452 HBRAPFUVSTXFGU-NSHDSACASA-N 498.615 2.172 10 20 JECD O=C(Cc1cc[nH]n1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878355 MEXADHLREIHHEO-XZXOBPBMSA-N 454.527 2.402 10 20 JECD O=C(CN1CCCCC1)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1834612165 DHXQCMOYWLHDND-UHFFFAOYSA-N 479.021 2.422 10 20 JECD Cc1nc2ccc(F)cn2c1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1836487202 VASLPKHUPHNGRH-UHFFFAOYSA-N 496.543 2.087 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)cccc1F)CCO2 1838863726 QOJOSYABBODYKK-QFIPXVFZSA-N 482.867 2.413 10 20 JECD CCCCNC(=O)NC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 15692269 CZJWRDCABDJTMZ-UHFFFAOYSA-N 453.407 2.153 10 20 JECD COc1ccc(-n2c(C)cc(C(=O)OCC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)c2C)cc1 16131003 AYCLNCVUSALKAN-UHFFFAOYSA-N 483.546 2.496 10 20 JECD CNC(=O)CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 729785637 IUWGSYMMYOIKLL-IRXDYDNUSA-N 486.544 2.209 10 20 JECD O=Cc1ccc(OC(F)(F)C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 730867409 QTMUYTATUSSIOZ-UHFFFAOYSA-N 466.412 2.306 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CC(=O)N(C4CCC(C)CC4)C3)CC2)cc1 731383830 SKCZTVPELROQOI-OBXNSHGQSA-N 457.571 2.314 10 20 JECD CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 747880665 WVDHDZCGYHHTQP-SFHVURJKSA-N 494.456 2.471 10 20 JECD CCOC(=O)c1c(S(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n[nH]c1C 912541588 IGZNKIJZKUZFLL-CYBMUJFWSA-N 458.487 2.444 10 20 JECD C[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)Nc1cccc(N2CCCC2=O)c1 920638423 ZGTFMJRQAAGMCQ-ZDUSSCGKSA-N 461.496 2.075 10 20 JECD COCCN1C(=O)/C(=C\Nc2ccc(C(=O)Nc3ccccc3OC)cc2)C(=O)NC1=S 920976611 LZRVBAKQIKAVBN-SSZFMOIBSA-N 454.508 2.133 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1778520098 TUASIYTVDHYHLH-QFIPXVFZSA-N 456.886 2.385 10 20 JECD Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(-n2nccn2)c1 1780242505 XBXVMENIUIFCBW-DEOSSOPVSA-N 497.939 2.398 10 20 JECD Cc1ccn(C)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783221642 JMYZZFYFVLBGAA-BSZIWHIGSA-N 469.538 2.291 10 20 JECD CC(C)(C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccccn1 1784279294 IZKQGQVNZDGGAC-PMDNVAFQSA-N 467.522 2.019 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccc(F)s1 1785456773 FPEQIACBTWYYMR-ZVZYQTTQSA-N 470.526 2.273 10 20 JECD Cc1cccc(/C=C/C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)n1 1785504947 GZUWJPCGCFXXJZ-FVGJVVOLSA-N 465.506 2.063 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1Cl)CCO2 1785507508 QIUXWCWOZSUOIV-YSNSILARSA-N 459.886 2.009 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3cccc(Cl)c31)CCO2 1785546450 FNJIQMKQGJYXGG-QRQCRPRQSA-N 494.038 2.060 10 20 JECD Cc1nn(C)c(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)c1F 1787176618 HMOYHOKJAMOCKE-UHFFFAOYSA-N 475.571 2.476 10 20 JECD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c2cc(O)ccc2n1 1798009184 HDCXWZLHTLCHKK-QDMKHBRRSA-N 484.603 2.361 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnncc2C(=O)O)C3)cc1 1799620933 RDZYRLUXVAZRPW-BBIADKPPSA-N 489.532 2.099 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cc(C2CC2)on1 1802788035 BYRRIKPNWZXCDX-MGPUTAFESA-N 485.591 2.127 10 20 JECD CC[C@H](C)[C@@H](O)C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1806073996 LSXSDSJVRGOFLY-PGRDOPGGSA-N 454.571 2.418 10 20 JECD O=C(CCN1CCOCC1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1806954200 KSWUBUVTDVDCDK-VGSWGCGISA-N 488.972 2.188 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccnnc2O)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811805587 BIVPGZCPXJFIJE-UGSOOPFHSA-N 469.885 2.275 10 20 JECD O=C(Cc1ccccc1F)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1813841977 OHTDHCGTHJXBKA-GFCCVEGCSA-N 478.596 2.297 10 20 JECD Cn1cncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1816517763 SVCSAJQQMOTTPQ-GOSISDBHSA-N 460.498 2.242 10 20 JECD CCCC(=O)N[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1819561241 LNYBYFFGJGYTRN-OXJNMPFZSA-N 493.568 2.500 10 20 JECD CC(=O)N[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)C(C)(C)C 1824362461 RQWWXHODPUIFHH-PXNSSMCTSA-N 496.699 2.017 10 20 JECD O=C(CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)N1CCCC1 1827423759 GCGDVRIIAGZSPQ-LJQANCHMSA-N 458.559 2.129 10 20 JECD COC(=O)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)cn1 1827428012 WXESBPBCQTXOLA-LJQANCHMSA-N 468.510 2.222 10 20 JECD O=Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)s1 1828242541 KXAGGAQVPRTTSV-VIFPVBQESA-N 480.618 2.103 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnoc1C1CC1)CC2 1828242864 SWYAYZOEUIKWEK-JTQLQIEISA-N 477.593 2.095 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCc3nc[nH]c3C2)CC1 1832125679 HRRSMNRIMYJFSP-JXFKEZNVSA-N 453.543 2.254 10 20 JECD O=C(c1cnc(O)[nH]1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877014 QUEKMJCDDWGRFH-QQOXCAACSA-N 456.499 2.179 10 20 JECD Cc1oncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898672 VOFRZTSVVPTXFG-MRXNPFEDSA-N 450.586 2.077 10 20 JECD COc1ncc(Cl)cc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833029069 DRLIFLYDMLSSSO-UHFFFAOYSA-N 489.960 2.049 10 20 JECD O=C(COC1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432440 OTFXGOPOKYBCHH-HSZRJFAPSA-N 482.961 2.171 10 20 JECD N[C@@H](C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1)c1cccc(Cl)c1 1843442056 QGASTLXXDMGAPM-OAQYLSRUSA-N 465.941 2.336 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)CC1 1843442929 DNAQHQBOOXUQIA-UHFFFAOYSA-N 481.553 2.040 10 20 JECD COc1cc(OC)cc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1844916964 YQVGOGUHUIDENG-FNORWQNLSA-N 454.479 2.351 10 20 JECD O=C(CNC(=O)c1ccccc1I)NCc1ccc(N2CCOCC2)cc1 108804444 ASVLFFZBJHHLTA-UHFFFAOYSA-N 479.318 2.174 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2CCCC2)c1 729064090 OSQBCPNPXZDDBL-CQSZACIVSA-N 471.510 2.470 10 20 JECD CCOc1cccc(N2CCN(C(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)CC2)n1 730580581 MWSYNMKHIYVKPH-UHFFFAOYSA-N 468.602 2.143 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3ccc(OCC(=O)N(C)C)cc3)CC2)cc1 743286784 ROZSVXVJBCXKOC-UHFFFAOYSA-N 455.559 2.106 10 20 JECD O=C(COC(=O)c1cnn(-c2ccccc2F)c1)NCc1ccc(N2CCOCC2)c(F)c1 746904865 ZJUFLKPVTQHETI-UHFFFAOYSA-N 456.449 2.460 10 20 JECD CN1CCCc2cc(CNC(=O)C(=O)N3CCc4cc(S(=O)(=O)N5CCCCC5)ccc43)ccc21 747017907 SDLGZHURQBIWDV-UHFFFAOYSA-N 496.633 2.449 10 20 JECD CCN(CC)c1ccc(CN(C)CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 759643667 OLGMJJKGSIGXLV-FGZHOGPDSA-N 451.633 2.159 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F 918309593 BNLGTLULMMWSSQ-UHFFFAOYSA-N 467.494 2.117 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 918439532 MXVWAIOOEVUDRQ-UHFFFAOYSA-N 479.516 2.030 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 918442119 DKTRCSNZSRPDHD-UHFFFAOYSA-N 450.539 2.277 10 20 JECD NC(=O)CSc1ccccc1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919698175 VFJZFDJGPALLQJ-UHFFFAOYSA-N 480.569 2.450 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(-c4csnn4)cc3)CC2)cc1 920185255 FRJMRRZVICCANI-UHFFFAOYSA-N 480.594 2.481 10 20 JECD C[C@H](NC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 920868439 DTSRHKDZAYKLLR-FQEVSTJZSA-N 472.611 2.441 10 20 JECD COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1C 1777848914 FWNTZHXTHMPTAV-CJFMBICVSA-N 469.538 2.180 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)C2)C1 1778297905 HJCYHQQHGVJOAS-YTSMVRMISA-N 479.668 2.283 10 20 JECD Cc1n[nH]c(C)c1CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1780827406 JVNAWDYDTMTFNI-AUSIDOKSSA-N 476.961 2.461 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007884 ZRRWTPQOWSITNA-RCDICMHDSA-N 460.918 2.090 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cc(F)c(F)cc1F)CCO2 1785509758 CFROORAMCXCRAQ-KFVKGYIZSA-N 478.423 2.378 10 20 JECD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1785511831 VGSYAQPECNBVKC-VJAVOHLOSA-N 452.507 2.450 10 20 JECD C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1791685840 SCUWKEPWKYQQPR-CADZRSNNSA-N 470.522 2.268 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792217594 ACUHPANPIJRJOB-FOAGIQHTSA-N 481.549 2.070 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1Cl)C2)C1=NN(c2ccccc2)C(=O)C1 1796481053 MFHZJLDEGZJFSO-MRSFGVLCSA-N 480.952 2.265 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(F)CCCCC1(F)F 1797216507 ZEXNUSOHVFPOCY-KNXJYALFSA-N 484.471 2.324 10 20 JECD O=C(Cc1cnc2ccccn12)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1803101884 PAWDEYCWGIKEGS-XDHUDOTRSA-N 472.505 2.098 10 20 JECD CN1N=C(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)CCC1=O 1804125405 WINJHGLNWGAPMH-VBKZILBWSA-N 485.928 2.074 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC2(CCCN(C(=O)c3csnn3)C2)CC1 1806224332 XXWVORRRXOKHSW-UHFFFAOYSA-N 452.540 2.176 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807995300 PBHZRNLSXLCIFS-LBUQITIBSA-N 462.510 2.103 10 20 JECD Cc1nc[nH]c1CSCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807996536 VDJJMOOLMCTHLB-AOMKIAJQSA-N 482.566 2.172 10 20 JECD COc1ccccc1CC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807998482 KBNIUDRJEIWEHX-UUOWRZLLSA-N 462.506 2.459 10 20 JECD O=C(NCCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccccc1 1808002027 SSIVRDAFUFOAHY-DVECYGJZSA-N 489.532 2.028 10 20 JECD Cc1cnc(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)cn1 1808245932 PTLIUCSWOOSJSG-GQCTYLIASA-N 452.511 2.460 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc(F)s2)[C@@H]1c1cccnc1 1814184731 DUKPDRMIBKLZAH-SCLBCKFNSA-N 478.596 2.462 10 20 JECD COc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1814189379 GMRLNDKBKKPRGH-UTKZUKDTSA-N 484.603 2.270 10 20 JECD CC[C@H](C)[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817363703 LYXHNFNLGHZKNP-PJSUUKDQSA-N 469.567 2.255 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1819622395 IBGCFMVGZLRKMK-UKRRQHHQSA-N 487.611 2.158 10 20 JECD O=C([C@H]1CC(c2ccccc2)=NN1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429896 VRSVITAJMCLEJD-FGZHOGPDSA-N 477.565 2.492 10 20 JECD Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cn1C 1827867540 GTYLBCMNJBHEAO-GOSISDBHSA-N 462.641 2.427 10 20 JECD Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)c1 1836280574 KZKLXEQPRODIGD-UHFFFAOYSA-N 474.652 2.041 10 20 JECD CC[C@H](C)[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1)c1ccccc1 1836418025 VOWCTTVEUAPIOX-QFMFQJCFSA-N 483.565 2.393 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncsc3[nH]1)CCO2 1837752784 GAKXNLVJYZCLLP-OAQYLSRUSA-N 492.941 2.073 10 20 JECD Cn1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c2cccnc21 1838029724 GJJAZIDOEGICKY-UHFFFAOYSA-N 479.537 2.306 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC1 1838031589 SFSVITPGUBALJN-UHFFFAOYSA-N 469.494 2.148 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838428019 KZLDYWRIAIDUGJ-CQSZACIVSA-N 479.961 2.054 10 20 JECD Cn1ncc(Br)c1C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1843605175 LNOGZTXCWADTQZ-UHFFFAOYSA-N 469.723 2.378 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cn3cc(F)ccc3n2)C1 1844067883 SGJNPEBNCVAHER-XVNBXDOJSA-N 452.442 2.121 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)[C@H]1CC1(F)F)C2 1844251599 KFDYRNKLLZIZOP-HZPDHXFCSA-N 495.523 2.392 10 20 JECD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1845502520 IOQFFNLGVREWKS-QGZVFWFLSA-N 495.960 2.204 10 20 JECD CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 109429661 HOKDXZCHEPRXNN-UHFFFAOYSA-N 482.624 2.157 10 20 JECD CCOC(=O)c1sc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)nc1-c1ccccc1 727246880 ZJJLOCYSNXSBFC-UHFFFAOYSA-N 467.550 2.435 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccccc3N3CCOCC3)cc2)C1 744854286 CSZWJKYRVIQUJG-NRFANRHFSA-N 451.571 2.224 10 20 JECD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(N(C)C)c(F)c2)o1 746805316 QXYRKXUUJKKXHT-KRWDZBQOSA-N 467.519 2.131 10 20 JECD COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 872124717 QRNFIHIZIJRWDY-UHFFFAOYSA-N 457.474 2.341 10 20 JECD C[C@@H](CN1CCOCC1)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 916054887 ZLSRJWSESXNSHM-RKPNYOAGSA-N 484.441 2.487 10 20 JECD C[C@H]1CN(c2ccc(CNc3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)cc2F)C[C@@H](C)O1 917087316 YCOBCHMWUBFJQA-HDICACEKSA-N 477.606 2.383 10 20 JECD COC(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1 917273714 GZESGWDITWHSSZ-GASCZTMLSA-N 459.474 2.094 10 20 JECD COc1ccc(N2CCCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 917821593 XIASKCFDAZNQNG-UHFFFAOYSA-N 460.552 2.369 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)C1 918123227 RALZDIYDPKUACA-HXUWFJFHSA-N 469.561 2.363 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 918220625 GQYLYGZPTGXRHO-UHFFFAOYSA-N 494.571 2.463 10 20 JECD COC(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nc1 918944571 LMZYDAYARJNPAZ-GJZGRUSLSA-N 459.474 2.094 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CN3C(=O)COc4ccccc43)cc2F)C[C@@H](C)O1 918964395 RHLDUZSCZZZSJR-IAGOWNOFSA-N 485.512 2.024 10 20 JECD Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)n[nH]1 919549224 DMJWXLWRVFVZQH-UHFFFAOYSA-N 486.550 2.186 10 20 JECD O=C(C[C@@H]1COc2ccccc2O1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004501 YAKMMEQJDDAMPD-VOIUYBSRSA-N 488.924 2.425 10 20 JECD Cc1cc(C)n2ccc(C(=O)N3CC[C@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)c2n1 1782578301 GMCPOFPMZRBPGR-JFAKYYBVSA-N 492.532 2.225 10 20 JECD C[C@H](Sc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1784419626 HKBAEDMYABIEMS-NTQIDZRZSA-N 485.562 2.222 10 20 JECD Cn1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(C(F)(F)F)c1 1785505933 SSYRHYMNMRYBRY-WTCGPSRQSA-N 495.454 2.318 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)cc3F)C[C@@H]21 1792218384 YVNSTJNVMHNRKQ-PRSSHNPISA-N 474.460 2.388 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc(F)ccc3F)C[C@@H]21 1792221118 DBUIKRSITBZFIY-XYNFECSZSA-N 488.487 2.317 10 20 JECD COCc1oncc1C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792315151 JKPBCQBGWBPAOC-UHFFFAOYSA-N 474.564 2.429 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnsn2)cc1 1794384195 GCDUUKSVJWFZHK-RMFSNUHRSA-N 451.552 2.463 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc3C1)C2)C1=NN(c2ccccc2)C(=O)C1 1796481132 OPQWUMDHLVTCTJ-ZUVQJFRASA-N 486.572 2.174 10 20 JECD Cn1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)c1Cl 1796934427 BWJPUNXUPJTQLR-RBVVOMGSSA-N 454.918 2.118 10 20 JECD O=C(CCc1ccc(F)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1800797520 NJIFZNBSVREHRP-HBNMSFMJSA-N 478.524 2.141 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccc2scnc2c1 1804333649 VVHZDSZAVNKOKP-BTTYYORXSA-N 460.606 2.408 10 20 JECD CC(C)NCCC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808467558 HUBMJBBICMGVAU-NLFFAJNJSA-N 476.581 2.268 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1cnoc1 1808521688 NBJREBFZXXPCHN-HTAPYJJXSA-N 458.478 2.182 10 20 JECD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810554592 ORFKPRCBUHGPQO-UHFFFAOYSA-N 456.455 2.265 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(-c2cccnc2)[nH]n1 1810899748 XBWVPQAWTBXWJJ-UZUQRXQVSA-N 485.504 2.306 10 20 JECD Cc1ncncc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1810969476 XDSCPNGSTOWYAE-CYFREDJKSA-N 483.532 2.293 10 20 JECD COc1ccc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)nn1 1811211530 UCLTUOLZHBPEGA-MSBUNASBSA-N 491.504 2.030 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccc2nccn12 1812173998 BCKHKUBFPOXGIG-KSFYIVLOSA-N 458.478 2.169 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2sccc2F)[C@H]1c1cccnc1 1814184983 JUGDWKSVDGQTSG-GUYCJALGSA-N 478.596 2.462 10 20 JECD C[C@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)NC(=O)OC(C)(C)C 1816725103 KCSSIXZIFGHXNL-DGCLKSJQSA-N 491.570 2.478 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1noc3c1CCCC3)CC2)c1cc(O)nc(O)c1 1816726203 SPJHMEPXSCZXPQ-NSHDSACASA-N 455.496 2.356 10 20 JECD CCC[C@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1823436648 KOKVWPSFNJHRAR-GHTZIAJQSA-N 493.568 2.500 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCSCC2)[nH]n1 1823477691 WWZPMNDMGZOJRD-QQOXCAACSA-N 487.582 2.281 10 20 JECD CN[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1)C(=O)O 1830737281 MXLYIABGPGYYHX-IRXDYDNUSA-N 467.950 2.047 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)[C@@H](O)c1ccccc1 1834581283 GXURNVRSXIHJKO-PMDNVAFQSA-N 495.576 2.122 10 20 JECD Cc1oc(C(C)(C)C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836417988 UDAYTCBFNKXHGO-XMMPIXPASA-N 473.526 2.076 10 20 JECD Cc1ncoc1C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837526663 PLDPWGJMWXAHRF-UHFFFAOYSA-N 479.537 2.388 10 20 JECD CC[C@H](C)[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837847751 CHZPTCDSJPLOAF-UUOWRZLLSA-N 483.613 2.151 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C1CC1)CCO2 1840658912 LMZWRCXHVWBXQG-XATMQCHFSA-N 494.544 2.464 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2n[nH]c3c2CCc2ncccc2-3)C1 1844662900 BGEHKOHEWXXHOZ-UHFFFAOYSA-N 495.543 2.180 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1845232772 VEXSEAHVAIYMBH-VVVONTASSA-N 486.569 2.249 10 20 JECD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1845398922 RZEVUJXKHXPFTA-QHCPKHFHSA-N 481.549 2.406 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cccc(Br)c2[N+](=O)[O-])C1 1845468647 KISZMPBNHWVLPW-UHFFFAOYSA-N 477.271 2.294 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)Nc3cc(F)c(F)cc3NC(C)=O)nnc2n1 116591347 YMXRBVSUEBWOKA-UHFFFAOYSA-N 465.490 2.350 10 20 JECD CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc21 746990860 SRMDAEIDZJZCRN-UHFFFAOYSA-N 465.554 2.352 10 20 JECD C[C@@H](OC(=O)CCc1nc(O)c2cnn(C)c2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 900701480 BMLPYNHHJJXUEZ-CYBMUJFWSA-N 499.483 2.347 10 20 JECD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1Cl 918293998 ANTBKZFXVYEXRI-KRWDZBQOSA-N 495.985 2.442 10 20 JECD Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC2=O)cc1F 918339056 AYWSGSFMSCYYTM-SFHVURJKSA-N 459.543 2.038 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(CN4CCC(C(N)=O)CC4)c3)CC2)cc1 918461867 PHARLLPEZOSVLF-UHFFFAOYSA-N 493.608 2.070 10 20 JECD COc1ccc(N2CCCN(C(=O)CSCCOc3ccc(S(N)(=O)=O)cc3)CC2)cc1 918663865 HFOWPFAUGGERQG-UHFFFAOYSA-N 479.624 2.194 10 20 JECD CCS(=O)(=O)N1CCC[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 919649599 BZARCFXKTGJMIS-HOTGVXAUSA-N 498.557 2.394 10 20 JECD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 920924414 ADQZAZZZRTZBPY-IRXDYDNUSA-N 454.527 2.313 10 20 JECD COCCN1C(=O)/C(=C\Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C(=O)NC1=S 920978804 IXXBHTWHHHDLMI-VBKFSLOCSA-N 454.464 2.011 10 20 JECD CC(C)COc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)ccn1 1778112222 QUCQIKBSYQVZPQ-KBMIEXCESA-N 484.553 2.364 10 20 JECD N[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)c1cccnc1 1781121438 WMDHXHMPDXONQG-DRMXPCRNSA-N 488.972 2.364 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)n2ccnn2)CCO3)cc1 1781753613 FPHREGOOQZVWOO-CPJSRVTESA-N 462.554 2.390 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnc4ccc(Cl)cc4c3)C2)C1 1782272362 JHZRKBCUJXHDQT-HSZRJFAPSA-N 468.897 2.452 10 20 JECD C[C@@H](Sc1ccccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1782495447 VJFZWBGSCUZYJT-QDOIMOTRSA-N 472.567 2.196 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cccnc1OCC1CC1)CCO2 1785509102 RNTPGLXRNZIPMI-WHVGEVHXSA-N 495.532 2.144 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C(F)(F)F)CCC3)[C@H]2C1 1786756387 NOEALKPQGMKKIM-IEZWGBDMSA-N 492.498 2.492 10 20 JECD Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)c(C(F)F)n1 1787735887 DQLRIAPNVDNIGF-PKWAYOAASA-N 484.887 2.329 10 20 JECD CC[C@@H](C)[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1ccccc1 1795180650 SZFIWSWORKPNRK-WVIAUDPISA-N 489.663 2.266 10 20 JECD COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1796930933 JMUQGAAWXNGFHX-NDLGOLERSA-N 466.538 2.007 10 20 JECD COc1ncccc1CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796932521 GVAQBUQFWLAZMA-NUZGMZIFSA-N 475.549 2.454 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799620697 QXANQQQKMNTIFV-UWSZBUKDSA-N 466.582 2.164 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2cccnn2)C3)cc1 1799622591 UEWGCQAQBLAKKM-GQEURGSBSA-N 475.549 2.166 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc(-n2cnnc2)cc1 1806993330 PNPSFVWQRSLDKO-WZONZLPQSA-N 485.504 2.102 10 20 JECD N=C(N)SCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1807010280 TWPUJWJRZJTZDF-SJCJKPOMSA-N 463.947 2.092 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc3[nH]ncc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995421 YUXOHVHAWPWUPJ-IVZQSRNASA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3cccnc3n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996552 VGKSEYYPAXZSBF-HTAPYJJXSA-N 470.489 2.464 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2cnccc2n1 1809147524 RKSHKZLRMSVXSL-GAJHUEQPSA-N 470.489 2.464 10 20 JECD O=C(NCC(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1)c1ccco1 1810136323 BAQNLNLGUQNFJD-UHFFFAOYSA-N 491.548 2.034 10 20 JECD N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811804624 ZFXNBRPKDBGWMT-AGHHOFFYSA-N 495.967 2.431 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2F)CC1 1827956568 ICYLSORHSQNSPT-KRWDZBQOSA-N 464.588 2.314 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CNC(N)=O)sc3C2)cc1 1828325738 FVIDBNHAPVBTEH-INIZCTEOSA-N 466.567 2.445 10 20 JECD Cc1noc(C)c1CC(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1833730927 YLVNTQNWJLBCFO-GQCTYLIASA-N 498.580 2.236 10 20 JECD CC(=O)C[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1836557640 MRHPUVUJPXXAOG-MQDFFIGUSA-N 473.570 2.003 10 20 JECD N=C(N)SCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837865225 UMVCPBFYXLJDML-UHFFFAOYSA-N 485.006 2.380 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1839434124 OXESQLOGZIIMPN-HSZRJFAPSA-N 491.928 2.002 10 20 JECD O=C(/C=C/c1cccc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1839926599 BTEAYMUWRQLJJM-MCCBOCGNSA-N 488.924 2.240 10 20 JECD COC(=O)c1ccccc1CCC(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1841438305 MVOWPVVMERNNJV-PKNBQFBNSA-N 480.517 2.439 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ccc3nccnc3c2)C1 1843779413 IBOUXHUXIBDHCK-UHFFFAOYSA-N 454.490 2.240 10 20 JECD Cn1cnc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1C(F)(F)F 1847038748 HNEKECOYBRMFFD-GQCTYLIASA-N 466.416 2.086 10 20 JECD COc1ccc(Br)cc1/C=C1/SC(=S)N(CCNS(C)(=O)=O)C1=O 727177240 DSYUXGMUQSCIRP-XYOKQWHBSA-N 451.389 2.208 10 20 JECD CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)cc1 746978016 DULSTUCZVQOJRI-UHFFFAOYSA-N 492.573 2.285 10 20 JECD CSc1cccc(-n2c(C)cc(C(=O)CN3CCN(C(=O)C(=O)N4CCOCC4)CC3)c2C)c1 765864531 DHDQJZWOTNWHRH-UHFFFAOYSA-N 484.622 2.002 10 20 JECD COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918139417 COBVVQYCXSXNQL-OKILXGFUSA-N 451.520 2.025 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CCCCN3c3ncccn3)cc2F)C[C@@H](C)O1 919075332 JJJYRQWVWHGEHT-SVMVAKDDSA-N 485.560 2.448 10 20 JECD C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccc(N2CCOCC2)cc1 920888742 ZNPITFMVGMFFFH-PGRDOPGGSA-N 473.595 2.472 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1scnc1C1CC1)C2)c1cc(O)nc(O)c1 1777847511 CZWYBNLOIXLTJP-IVZQSRNASA-N 458.540 2.268 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cccc4cc[nH]c34)C2)C1 1778039305 AHOGILCBOQLNTN-PIITYICYSA-N 463.490 2.442 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)C1 1780667854 BVVYKGPWMCJSFF-HXUWFJFHSA-N 451.401 2.269 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)cc3F)C2)C1 1780823288 CXWWLJJYDBCUCR-XMMPIXPASA-N 468.460 2.201 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cnc(C(F)(F)F)cn1)CCO2 1782003030 ZSJAZNSHTBWJEC-LJQANCHMSA-N 486.834 2.317 10 20 JECD CS(=O)(=O)Cc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788424192 FPSJRAYPBGDPCK-UHFFFAOYSA-N 496.545 2.494 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(F)(F)F)CCC1 1795482661 ORIUOVYITIXORV-TZXXEAQYSA-N 470.444 2.139 10 20 JECD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796935085 UNJPXOYENSJCQH-WTNASJBWSA-N 478.549 2.173 10 20 JECD Cc1nc[nH]c1CSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1798349921 HTDLNQGXPQKPNS-GGPHIMKMSA-N 480.594 2.382 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOC2=O)C3)cc1 1799620424 JZQGKHICUNHGOH-RUMRUAAYSA-N 480.565 2.140 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNc3ccccc31)C2)c1cc(O)c(O)c(Cl)c1 1799770806 IZPLEJFFGYDFRK-FKEXNYPISA-N 457.914 2.164 10 20 JECD COc1cc(C)c(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1799825738 ACDUGSZASWAZNO-PGTXOHQNSA-N 482.533 2.345 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1nc2ncccn2n1 1809229764 GBYRPHQAAVRFTC-KBXCAEBGSA-N 493.911 2.217 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc(=O)n2O)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811797965 JOBJTYXZGHJFSU-JLTOFOAXSA-N 484.896 2.179 10 20 JECD COCC1(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)CC1 1814162515 SXWKYFSPQZWEDT-TVIPFHBOSA-N 467.522 2.344 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)C2=COCC2)[C@@H]1c1cccnc1 1814166004 MZMSIYKWRSIINE-JEYNVIPUSA-N 451.479 2.222 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3nccc4[nH]ccc34)sc2C1 1816853499 IYJBPSWOSGXXMP-SNVBAGLBSA-N 486.604 2.106 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1n[nH]cc1[N+](=O)[O-] 1819656603 LCDYVIBGAOWWNJ-INIZCTEOSA-N 491.468 2.140 10 20 JECD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1824175536 SNTOAUVQXIXZTB-SCTDSRPQSA-N 459.543 2.315 10 20 JECD Cc1ccn(C)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901045 NPRZDYQHOJFJJB-KRWDZBQOSA-N 462.641 2.427 10 20 JECD Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)n[nH]1 1835788692 LBTRTMUNBSCWIX-UHFFFAOYSA-N 475.977 2.211 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)cc1 1839348705 HKSHVBNMKNHIBS-MHZLTWQESA-N 489.576 2.197 10 20 JECD O=C(Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431596 AQVOVCQMYRSPIZ-QHCPKHFHSA-N 460.914 2.064 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNc4ccccc43)C2)C1 1839434151 QZCXXWJMZOHUIV-MZNJEOGPSA-N 487.940 2.031 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1839434339 ZRMWIUBOKBNDBJ-HSZRJFAPSA-N 486.912 2.011 10 20 JECD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc(C)c1O 1840676338 OZQLJQWZIZYYFB-DEOSSOPVSA-N 490.940 2.457 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCCS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 742940649 WCMUXHUAQRBYLT-UHFFFAOYSA-N 481.018 2.244 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Cc3c(C)nc(-c4cccnc4)nc3O)CC2)cc1 918210747 YKLQZXIUPXRYQG-UHFFFAOYSA-N 476.581 2.432 10 20 JECD C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1)n1cncn1 918297262 ONHQGQDUYXMALD-LAUBAEHRSA-N 492.536 2.330 10 20 JECD CCOc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1OC 918464570 BCZLOYDQUVBTAB-KRWDZBQOSA-N 454.527 2.051 10 20 JECD CCS(=O)(=O)N1CCC[C@@H](C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 919645004 IXVPWGQDFVHILL-JKSUJKDBSA-N 498.557 2.394 10 20 JECD O=C1OCc2c1cccc2S(=O)(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919729129 FDCUOPYTZCQRLV-UHFFFAOYSA-N 483.525 2.091 10 20 JECD C[C@H](NC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)C(=O)NC(C)(C)C 921203663 GNMGUDCVODNGPT-LBPRGKRZSA-N 464.500 2.134 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1nccc2nc[nH]c12 1777927952 DVEGTBOUQOWRRS-UZUQRXQVSA-N 485.928 2.464 10 20 JECD CCOc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)nn1 1780239000 CPEJRMGWKYISAV-WZONZLPQSA-N 490.944 2.381 10 20 JECD O=C(Cc1cc(F)ccc1F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1783121699 JGKTZKUANZYNIW-WZONZLPQSA-N 461.465 2.141 10 20 JECD Cc1cc2nc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)[nH]c2cc1C 1785506614 AVBCEAOAKZWXDC-JFAKYYBVSA-N 492.532 2.453 10 20 JECD Cc1occ(C(F)(F)F)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787292330 RGEHWNGMDLZAMU-WHOFXGATSA-N 469.416 2.320 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4ccccc4)no3)C[C@@H]21)c1cc(O)nc(O)c1 1787293896 UUVSSGNNRQFWBU-KNBMTAEXSA-N 464.478 2.055 10 20 JECD Cc1cc(Br)ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787294493 UEIXXAZYUQGGLU-KKXDTOCCSA-N 490.354 2.471 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCn4ccnn4)[C@H]3C2)cc1 1791648034 RSLXDXRWQYFCPJ-XWGVYQGASA-N 476.581 2.369 10 20 JECD CC(C)c1csc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)n1 1794254773 JHOQSDNEJKREIH-VPTLXERWSA-N 481.578 2.263 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Cl)cc1 1795663660 GRNAIAPUVCYXEY-MUJYYYPQSA-N 452.001 2.381 10 20 JECD COC(=O)CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799770512 ZKAFZVIVYAKMLF-YVWYUNDQSA-N 468.934 2.078 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(F)c(F)c1)C2 1802078973 NXBDKWONOAQARM-MXBFMXEXSA-N 488.487 2.317 10 20 JECD COc1ccc2oc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2c1 1802079897 YQXDSNOLLUAFOH-DMTDJGTHSA-N 494.500 2.475 10 20 JECD Cn1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)c1=O 1803835987 SHSGVXRHNOFUQM-YWZLYKJASA-N 482.924 2.478 10 20 JECD Cc1nnc(CC(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)s1 1807541629 UFKUWIDPLYLHSV-NGOAQKHGSA-N 495.561 2.320 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3nccn3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995879 KVAGIWBPLOYKJP-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998138 ISHLTNQOPMSSMB-QCHBDQLXSA-N 499.527 2.117 10 20 JECD Cc1cc(C)n(CC(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n1 1808465462 VELFPAVLZGILRC-HFZDXXHNSA-N 499.575 2.394 10 20 JECD O=C(CCCc1cccnc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1813521146 GZOSSWVDBFASAN-WMZHIEFXSA-N 497.646 2.366 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccncn2)[C@@H]1c1cccnc1 1814163458 CUIMNSITHMFBGA-JEYNVIPUSA-N 461.478 2.021 10 20 JECD CNCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1817309305 ZPXFYRCPWKNRFF-LJQANCHMSA-N 451.531 2.194 10 20 JECD COC(=O)c1ccc(OCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cc1 1817848845 GDKTYHVTQSYJHP-SFHVURJKSA-N 495.492 2.387 10 20 JECD C[C@@H](Cn1cncn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1819545053 IQEMLJAGRQXVKK-KLYJYZACSA-N 481.513 2.160 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1823789132 ZAJUYXQTAJFSRG-GMAHTHKFSA-N 481.597 2.314 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3CCCOC3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1828184953 PIPHJIOMBAAILC-GJZGRUSLSA-N 467.551 2.275 10 20 JECD Cn1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)cccc1=O 1832876155 CWBBDHHYFTVOBE-JARZOMNASA-N 481.549 2.449 10 20 JECD CC(F)(F)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1833543554 FYMUJHAMTYPQFW-UHFFFAOYSA-N 490.642 2.100 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c(-c3ccc(F)cc3)c1)CCO2 1833611928 SUFCKERZOGWIIH-RUZDIDTESA-N 496.495 2.011 10 20 JECD COc1ccc([C@H](C)C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834985460 FTMZYRKXXCWHAU-KRWDZBQOSA-N 482.581 2.490 10 20 JECD CC(C)[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)CC1 1836419630 QYKRXAVVUUMUEJ-QZTZHPFYSA-N 461.559 2.025 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)c3ccc[n+]([O-])c3)CC2)CC1 1837242668 JPPXGEQNGXVSDJ-UHFFFAOYSA-N 475.929 2.311 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)c3F)C2)C1 1839433686 PSYLWMTVWSTKSS-JOCHJYFZSA-N 482.867 2.413 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)Cc2cc(F)ccc2Cl)C1 1841833126 PGYSUCYQFAZSES-UHFFFAOYSA-N 455.964 2.085 10 20 JECD COc1ccc(OCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc(O)c(O)c2O)cc1 1847400848 JFKSMMDSPXSQHD-QIXTUUJESA-N 454.479 2.106 10 20 JECD C[C@@H](NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)c1ccc(N2CCOCC2)cc1 116577458 ZSCOFAAHZQGFNY-LJQANCHMSA-N 457.596 2.245 10 20 JECD COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1O 729859862 VAGLOJSCKSHZMN-UHFFFAOYSA-N 476.551 2.279 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@@H](Cc3cccc(F)c3)n3nnnc3C)CC2)cc1 915699607 OWQNABAXECLINT-XMMPIXPASA-N 481.576 2.242 10 20 JECD Cc1ccc(-c2nnc(SCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)n2N)cc1 917174644 BWCAUVKMUWCJNX-UHFFFAOYSA-N 456.547 2.352 10 20 JECD O=C(NCCCOC[C@H]1CCCO1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919782592 LXXMFCVFEZXEKQ-HXUWFJFHSA-N 472.565 2.327 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)C4CCCCC4)CC3)cc2)C1 921243336 VEYWCQWUBYBJNX-OAQYLSRUSA-N 455.603 2.322 10 20 JECD CNS(=O)(=O)c1ccc(Br)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 1115817958 NAJXGROUHARPCK-UHFFFAOYSA-N 482.400 2.466 10 20 JECD CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781121440 WQTMWLBTGXUFDY-IYBGGQRXSA-N 453.967 2.252 10 20 JECD C[C@H]1CCc2c(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)n[nH]c21 1782005380 BWUBZLNHADKCKC-AMXDTQDGSA-N 460.918 2.281 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)CC3Cc4ccccc4C3)C2)C1 1785654341 WFLHWVQYXHASSN-PMHUYKBPSA-N 478.545 2.452 10 20 JECD Cc1ccc(OCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)cc1 1786592282 FLUNREARGNGTOR-APTRMMRNSA-N 490.560 2.146 10 20 JECD CC(C)(C)C(=O)Nc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)cc1 1787294582 SIULHLZBGUEXQJ-VDGAXYAQSA-N 496.564 2.385 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc2cccnc2s1 1787899973 IFOQNPBIBQPKDE-BPUTZDHNSA-N 454.508 2.010 10 20 JECD CCc1[nH]nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)c1F 1790242067 KWAZIILJVQEDHV-PKWAYOAASA-N 466.897 2.083 10 20 JECD CCSc1cccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1798777807 QQJRSLNTNLVFSI-JVUDYFJLSA-N 485.562 2.227 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1CCc2ccccc21 1801116442 YMIXPQQTDSHUDC-CMMYHZPWSA-N 464.518 2.136 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)[C@@H]1CC=CCC1 1803035495 GFUFREHDJVMWGF-WRWLIDTKSA-N 458.609 2.304 10 20 JECD CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1804381761 GRZNERPWYCNLSL-YVSFHVDLSA-N 462.547 2.438 10 20 JECD O=C(/C=C/c1ccco1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1804616536 QHQUOSGFDDYHAI-IKSNEBHTSA-N 470.576 2.254 10 20 JECD C[C@@H](NNc1ccccc1)C(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1804876823 GOFQRHGRIJZASX-QGZVFWFLSA-N 453.543 2.343 10 20 JECD COc1cccc(CC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1806558295 QCBUVDCBFMJZKJ-WZONZLPQSA-N 498.630 2.199 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cn3cc(F)ccc3n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996411 RPENGPJYAIDESO-OYHNWAKOSA-N 476.468 2.308 10 20 JECD Cc1c(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)nc2ccccn12 1809083608 OLDDTJSBBLVKGM-GAJHUEQPSA-N 472.505 2.477 10 20 JECD Cn1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)c1=O 1811796865 MMCYXCIEJKAEEA-FOIQADDNSA-N 482.924 2.478 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccncc2Cl)[C@H]1c1cccnc1 1814188818 AWQNSKDZATYIKG-KUHUBIRLSA-N 490.010 2.310 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2nc3ccccc3o2)[C@H]1c1cccnc1 1814190298 WESYPWPVIVQBOB-YWZLYKJASA-N 495.586 2.403 10 20 JECD Cc1ccccc1NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1815234931 MGBZVRIQEGSCHZ-ZDUSSCGKSA-N 489.648 2.336 10 20 JECD Cc1nccn1CCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728510 RKSMKEYLWTYXOK-AWEZNQCLSA-N 456.528 2.160 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1818127629 ACYDPWPQJQOBDC-XPLVDZNXSA-N 471.514 2.099 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccc(O)nc3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1821484390 XDLJYLHZJGDVNW-CQSZACIVSA-N 476.518 2.262 10 20 JECD COC(=O)C1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)CC1 1823476114 QQZNNBVOOUEXHD-VFADXPBXSA-N 470.482 2.185 10 20 JECD O=C(Cn1ccccc1=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708666 LZRPQGJZJGXWKW-GFCCVEGCSA-N 474.926 2.295 10 20 JECD O=C(Cn1cnc2ccccc21)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1825853729 ZCNRMLMVFDWLQF-ZDUSSCGKSA-N 464.507 2.225 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)Cn2ccnc2)CC1 1826079115 VPLNOHOKOZRIIW-JOCHJYFZSA-N 462.554 2.296 10 20 JECD O=C(c1c(F)cncc1F)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901185 RJGPJVMFKSKQEH-INIZCTEOSA-N 482.578 2.453 10 20 JECD O=C(c1ccn2nccc2c1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902458 MOQUPQYINQQCPF-IBGZPJMESA-N 485.635 2.428 10 20 JECD O=C(COCc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431716 IJBFYQSYSQUUHM-XMMPIXPASA-N 490.940 2.038 10 20 JECD O=C(c1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433480 JEMOPVINCQUCNU-QFIPXVFZSA-N 464.877 2.274 10 20 JECD O=C(Cc1cccs1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434328 ZGIRBQIYJFCVBQ-OAQYLSRUSA-N 466.943 2.125 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)C2)C1 1840881224 JBXOBBRQRDQMRC-YHVVPRCASA-N 486.565 2.099 10 20 JECD O=C(c1cccc2c1OCCO2)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441603 KIEVRGKVECDNNL-UHFFFAOYSA-N 460.490 2.068 10 20 JECD O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 15179987 MWUUZRNOKOBPRW-UHFFFAOYSA-N 468.421 2.240 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 105052857 UQNRZMQOCKTCEE-UHFFFAOYSA-N 471.501 2.479 10 20 JECD COc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc(OC)c1OCC(N)=O 108286113 MQEJDFSFLYKXSD-GJZGRUSLSA-N 475.517 2.251 10 20 JECD COc1ccc(CN2C[C@@H](C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2=O)cc1 726502028 BSSAFSKRXBPPOT-RTWAWAEBSA-N 464.566 2.062 10 20 JECD O=C(Cc1csc(-c2nc[nH]n2)n1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 729861056 NGMCWFHDJDZEEO-UHFFFAOYSA-N 479.545 2.043 10 20 JECD CN(C)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1F 746975369 GOZNGCNPZBQLKU-UHFFFAOYSA-N 465.507 2.016 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CCS(=O)(=O)c3ccc(F)cc3)CC2)cc1 843443822 USMMLZPBKKOGGC-UHFFFAOYSA-N 463.575 2.327 10 20 JECD COc1ccc(C(C)=O)cc1CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 918886216 RQZZXHYAYBIKAT-UHFFFAOYSA-N 458.486 2.276 10 20 JECD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(N2CCOCC2)cc1 919766609 LCJVRWUFZQVFQK-FQEVSTJZSA-N 481.615 2.379 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@H](CO)c1ccccc1 919783126 FDJRMPKGQOXAHQ-OAQYLSRUSA-N 450.518 2.475 10 20 JECD Cn1cc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)cn1 1781122783 NQHICWSXVFCSNO-AUSIDOKSSA-N 476.961 2.245 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4cccnc4)cc3)C2)C1 1781455777 GHCISBZVQJLRLS-XMMPIXPASA-N 496.614 2.052 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO3)cc1 1781752975 YETVGOGVJWKALZ-CJAUYULYSA-N 487.622 2.218 10 20 JECD COc1ncccc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1785311089 VSOIWHKWOQGJGS-KNBMTAEXSA-N 489.956 2.381 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)nc3F)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537266 KKYZJTPOBYHXCP-FNHZYXHNSA-N 499.930 2.260 10 20 JECD CCOc1c(F)c(F)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)c1F 1790246409 BUWKQJNGYPXFSS-PJODQICGSA-N 495.454 2.216 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1C[C@@H]3CC[C@H]1C3)C2)C1=NN(c2ccccc2)C(=O)C1 1796481184 SCYUVPOJYJDYNL-YVYNCSQASA-N 464.566 2.195 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cncnc2)C3)cc1 1799620274 VUTHEYAUSCDQCV-BRTYFSMRSA-N 459.550 2.330 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cc(Cl)ccn13)C2 1802080103 KCWOEMXPQQPNGJ-GAKFLWOGSA-N 498.923 2.021 10 20 JECD O=C(CC1Cc2ccccc2C1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1802175736 SGFTXPLETVRWLT-IEMBSSLISA-N 486.572 2.174 10 20 JECD Cc1cc(CCC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)ccn1 1804302009 RLYPCCDJKPVQID-XXBNENTESA-N 497.646 2.284 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccnc(C(F)(F)F)c1 1804330842 LGFLERPMQQYUGN-CLLJXQQHSA-N 472.514 2.213 10 20 JECD CCn1nccc1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1805920354 WNARHWFLLDEZSH-XZSBDORCSA-N 477.521 2.448 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807995298 PBHZRNLSXLCIFS-GIMINZRKSA-N 462.510 2.103 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cccc2[nH]ncc12 1808039111 APGZPKBQEXJSPQ-YCRPNKLZSA-N 494.602 2.138 10 20 JECD Cn1cc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)cn1 1813460192 VZDVNBYMBOOOKS-KKSFZXQISA-N 469.929 2.442 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc3c[nH]nc3c2)[C@H]1c1cccnc1 1814189490 QSDREBXDRNQFPT-UTKZUKDTSA-N 494.602 2.138 10 20 JECD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)N1CSCSC1 1816726272 SGONMXOYNZHTIN-JQWIXIFHSA-N 481.625 2.218 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)[nH]n1)c1cc(O)nc(O)c1 1817842507 CUOVMRMWUJAJGZ-YJBOKZPZSA-N 482.541 2.313 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2(Br)CC2)[nH]n1)c1cc(O)nc(O)c1 1817847539 JXVFRWDUYLYVBO-GFCCVEGCSA-N 450.293 2.449 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145781 JRXWPTNWQUVGIY-LJQANCHMSA-N 479.541 2.109 10 20 JECD Cc1nnc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)o1 1818146703 YCNCTLVEYIXSIW-GOSISDBHSA-N 476.497 2.129 10 20 JECD COc1ncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cc1C 1823495885 DTPAXYZLKXCDJK-OAHLLOKOSA-N 488.595 2.288 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccn3nccc3c2)[nH]n1 1823499855 BMYFAFNBUKMDIE-MRXNPFEDSA-N 483.579 2.224 10 20 JECD CCN(C)[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828197882 ODCPLSUMKYTRBN-JGKZEZGSSA-N 460.556 2.226 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1nccc3occc13)CC2 1828242937 WXQRICYJXWZSTD-SNVBAGLBSA-N 487.588 2.370 10 20 JECD C[C@H](Cn1cncn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1829056868 GAUJKDPRQGJGCO-ASZUZNPLSA-N 483.569 2.364 10 20 JECD O=C(CCCc1ccncc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1833059506 YVFHMHBMEUMDKA-XMMPIXPASA-N 489.956 2.239 10 20 JECD COc1ccc([C@H]2C[C@H]2C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834985932 REAUSEUEEHQNTN-DHIUTWEWSA-N 494.592 2.490 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)CCc3ncc[nH]3)CC2)CC1 1838800988 ZMWQYQORJMGPOP-GORDUTHDSA-N 484.553 2.171 10 20 JECD O=C(Cc1cc(F)cc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434194 UEDSTHIOLRENHM-HSZRJFAPSA-N 496.894 2.342 10 20 JECD O=C(Cc1cccs1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434327 ZGIRBQIYJFCVBQ-NRFANRHFSA-N 466.943 2.125 10 20 JECD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)ccc1F 1840683103 VPLACRHQAMMNBW-QHCPKHFHSA-N 494.903 2.283 10 20 JECD CC1(C)CCc2cccc(C(=O)N3CCCC34CN(C(=O)CN3C(=O)CSC3=S)C4)c2O1 1843299713 PNYLXUGSHGBPRL-UHFFFAOYSA-N 473.620 2.468 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)[C@H]1CCCO1)C2 1843331395 SOJSVQXEXFAYEP-WOJBJXKFSA-N 472.586 2.087 10 20 JECD COc1ccc2c(c1)CC[C@@H](CC(=O)N1CCCC13CN(C(=O)CN1C(=O)CSC1=S)C3)C2 1843898437 UHQHKQQKALJJLG-MRXNPFEDSA-N 487.647 2.254 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)C1 1846940523 ZROSAMCXUVCTSC-MRXNPFEDSA-N 474.558 2.347 10 20 JECD O=C([C@@H]1CCc2cccc(Cl)c21)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055101 CDFYJMRETSNNED-CQSZACIVSA-N 464.012 2.434 10 20 JECD CCOC(=O)c1c(NC(=O)COC(=O)C2CC(=O)NC(=O)C2)sc(C)c1-c1ccccc1 726820610 ILGNVZOHBKZVTI-UHFFFAOYSA-N 458.492 2.435 10 20 JECD C[C@H](NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(N2CCOCC2)cc1 748463017 WGLAWXLDIFGNMI-FQEVSTJZSA-N 466.586 2.017 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)NCC(C)C)cc3)CC2)cc1 914815207 QCGPFPCUMPPMEC-UHFFFAOYSA-N 489.594 2.135 10 20 JECD COc1c([N+](=O)[O-])cc(N2CCC(C(=O)N3CCN(C)CC3)CC2)c([N+](=O)[O-])c1Br 917066820 SRUXLLDPLRLDRT-UHFFFAOYSA-N 486.323 2.265 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)cc2F)C[C@@H](C)O1 917714070 MQBMOVMBZRIMLR-MCFFVMPBSA-N 453.518 2.176 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 918284593 KKQSVRKYBVXLLZ-HXUWFJFHSA-N 457.502 2.475 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)C1 918464421 VNDQQOHJJFITOJ-CQSZACIVSA-N 491.451 2.153 10 20 JECD Cc1cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c(C)n1-c1ccc(Br)cc1 921165497 KZDQHNAFWVSITC-UHFFFAOYSA-N 483.432 2.164 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1nccc2occc12 1777737699 QQOQVDFMPHEIRL-UZUQRXQVSA-N 452.467 2.075 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)C1 1778069073 GKMRFEYJTWRNQO-JOCHJYFZSA-N 457.914 2.322 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@@H]1C1CC1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126523 AZBGWSNBLKRAOR-LMTWLMQPSA-N 464.566 2.339 10 20 JECD O=C1CC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)=Cc2ccccc2N1 1780001027 SSQYPUSZJUXZNC-FQRUVTKNSA-N 492.532 2.046 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1ccc3[nH]ccc3n1)CCO2 1782005755 YXWNOUDUBNHPMW-QFIPXVFZSA-N 456.886 2.385 10 20 JECD O=C(CCc1ccccc1F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1782710526 HOXCJKYFQJMPQF-NTKDMRAZSA-N 457.502 2.392 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)[C@@]3(F)CCCC=C3F)C2)C1 1785703037 UDXBMTRQVSPPMW-VOFCSJSRSA-N 464.465 2.392 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)[C@H]1[C@@H]2CCC[C@H]1c1ccccc1N2 1786772904 MFIHFWOVVRCWLZ-PVSXMWDLSA-N 492.576 2.464 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4CCOCC4)C[C@@H]32)cc1 1790126337 SZLDEPPTALIQHV-RNXOBYDBSA-N 494.636 2.410 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3c(F)cccc3F)C[C@@H]21 1792218397 ZWCRORGGJUKZMH-UZHYIMIUSA-N 488.487 2.317 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncccc1C(F)(F)F 1798917667 DWXHUWUOBJALBD-ZSBIGDGJSA-N 472.514 2.213 10 20 JECD C=C(Oc1ccccc1O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799768121 LIMXKEMUJOYNCB-YVWYUNDQSA-N 474.897 2.253 10 20 JECD Cc1cnn(CC(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)c1 1808468396 QEJHVZWSXYHAPC-NLFFAJNJSA-N 485.548 2.085 10 20 JECD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1808911510 UTGQMVDVJALSSG-KBXCAEBGSA-N 475.621 2.026 10 20 JECD Cn1nc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)cc1O 1811798591 SBKWCYUOYVMBRF-DJJJIMSYSA-N 471.901 2.219 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccnc2ncccc12 1812159393 VEUWTIAPOVBLHS-OPAMFIHVSA-N 470.489 2.464 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)[C@H]1CCCOC1 1814161554 HWHMCFIJBIXGDL-DRHZFIHJSA-N 467.522 2.344 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)C(Cl)(Cl)Cl)[C@@H]1c1cccnc1 1814190194 SRLHHDNOQWDAMH-SMDDNHRTSA-N 495.841 2.318 10 20 JECD Cn1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)c1=O 1815420310 PWKMEBHAJQHIPN-VMSUTVGLSA-N 479.493 2.245 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)CC1 1816731030 FZUQXBLSAVOUND-LBPRGKRZSA-N 489.554 2.232 10 20 JECD O=C(CC(F)(F)C(=O)O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1818024762 FOPLDVDIIUUACS-MRXNPFEDSA-N 488.451 2.305 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3nc[nH]c23)[nH]n1 1823499001 ZCQXVNXBDGEXAM-OAHLLOKOSA-N 483.579 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCSC2)[nH]n1 1823500821 HJNRJMUJPSPQAP-OCCSQVGLSA-N 467.642 2.405 10 20 JECD CC(=O)N[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)C(C)(C)C 1824361765 YEWWJEMHFSPSMX-GHTZIAJQSA-N 460.575 2.277 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1825689085 HIFPGPLYSXJWNH-PSLQGDIJSA-N 479.562 2.416 10 20 JECD O=C(CCn1ccnn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1826877635 LREZKLLSYGXMTM-LLVKDONJSA-N 462.919 2.115 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716198 FBOYMOYDHRFVLI-XMSQKQJNSA-N 479.581 2.090 10 20 JECD CN1CCC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)C1 1828197810 LQMGDYRJSGJINM-KOMYPQRHSA-N 472.567 2.227 10 20 JECD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)c1ccc(O)cc1 1828246630 GQLPTRQYDKHTPK-DGCLKSJQSA-N 490.632 2.425 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccccc3)CCCC1)CCO2 1830318575 IIVMSCPUYFBZMG-RUZDIDTESA-N 481.549 2.075 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)CSc2nc[nH]n2)CC1 1832153023 OKNYCXIRUMFPOK-UABRLCRWSA-N 487.582 2.347 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc4ncoc4c3)CC2)CC1)c1cc(O)nc(O)c1 1834987067 COBVPDHFWJUTHI-UHFFFAOYSA-N 465.510 2.133 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2ccc(-c3ccc(O)nn3)cc2)C1 1845550741 DULDFXPPUXFMDY-YRNVUSSQSA-N 488.500 2.496 10 20 JECD COc1c(Br)cccc1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054747 MUZAHYFIJKGUML-UHFFFAOYSA-N 498.424 2.135 10 20 JECD COCCCn1c(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n[nH]c1=O 25108562 HQPDYFAYAAPLBJ-UHFFFAOYSA-N 452.492 2.114 10 20 JECD COC(=O)CN1CCN(c2ccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)CC1 729044433 ZFOJYPDFNLMPRZ-UHFFFAOYSA-N 481.597 2.482 10 20 JECD Cc1ccccc1CC(=O)N1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 750328853 VUYQCCFRSGGPKL-QHCPKHFHSA-N 477.609 2.293 10 20 JECD CNC(=O)c1cc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cn1C 914688999 WRCBVKIHERSZMO-UHFFFAOYSA-N 462.553 2.295 10 20 JECD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccc(N3CCOCC3)c(F)c1)C2=O 917707554 NISHWNARNKDLGF-GYCJOSAFSA-N 460.550 2.415 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3cc(C(=O)O)cc4c3CCC4)CC2)cc1 917863612 VXBAJVRMEJDPPA-UHFFFAOYSA-N 473.595 2.373 10 20 JECD CNS(=O)(=O)c1cccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 918213270 OTRDYGSNOMMRDU-HZPDHXFCSA-N 464.563 2.347 10 20 JECD CCOc1ccc(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1S(=O)(=O)N(C)C 918306893 IHDXYOXZXNSDKD-UHFFFAOYSA-N 476.599 2.389 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)Nc2ccc(I)cc2)c1 920636619 DNKKNYWCIDITEM-UHFFFAOYSA-N 490.275 2.164 10 20 JECD CN(Cc1ccccc1)C(=O)N1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 921122463 JOQOVPNGWDKYHI-QHCPKHFHSA-N 492.624 2.468 10 20 JECD Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)C(C)C)sc2n1 924234154 ROQWXRQDUSMVSO-FOIQADDNSA-N 453.586 2.370 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3cc(Cl)ccn3)cc2F)C[C@@H](C)O1 1321913724 WIBIHFJIAGJCKQ-HUUCEWRRSA-N 492.935 2.077 10 20 JECD O=C(c1ccc(-n2cnnc2)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782001977 ONWQAEPAACZFBY-HSZRJFAPSA-N 483.912 2.089 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3O1)CCO2 1785510478 LSEYOVFZMGQEIW-CSEYZPLKSA-N 480.517 2.040 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccc(Cl)o1 1787782522 UPRICNBVLHMGHX-QOKNQOGYSA-N 470.913 2.319 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1c(F)cccc1F 1789441430 DCEABUOUTAPBPW-WJPUGNRLSA-N 482.487 2.351 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)ccc3F)C[C@@H]21 1792217684 HHXFJSZZQJWOQY-PRSSHNPISA-N 474.460 2.388 10 20 JECD Cc1c(F)ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1N 1792218544 KXLBQRSGRSTEFO-BTVCQZFZSA-N 485.512 2.140 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 1792908995 XFOMEHLVXFRVTP-ILOCAZANSA-N 461.584 2.428 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccn(C(F)F)n1 1796934662 OKSGOTZSUBTPEF-RBVVOMGSSA-N 456.453 2.323 10 20 JECD COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1796935038 QHKTZXZVOBNTKU-AJGRXUDCSA-N 480.565 2.397 10 20 JECD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)cc(C(F)(F)F)n1 1799207364 VSFZNUFNSSHSLC-BTTYYORXSA-N 466.416 2.481 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1803032651 UDQRBQKPIWQKCY-IZBJGVDFSA-N 461.522 2.280 10 20 JECD COc1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)cc1C 1804285090 DKYIEFFXDOZEBC-DTUWPTEXSA-N 453.495 2.481 10 20 JECD CC(=O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808464685 NVGGOHXALSROPH-XXBNENTESA-N 475.549 2.496 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCCO2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808464866 PYNGEYMSZGTNRU-BPUDTRNYSA-N 475.549 2.449 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)c2ccco2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808465741 YBKDBNPZRCQORV-GKVQRAMASA-N 487.516 2.207 10 20 JECD Cc1nc[nH]c1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808677197 HGJHTMQVTCYBHC-WZONZLPQSA-N 471.521 2.226 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811806427 MPFSIKDTIKVWDI-XIKOKIGWSA-N 486.872 2.411 10 20 JECD Cc1ccc(OCC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1814186853 YVMTVRGVHJQESF-FDDCHVKYSA-N 498.630 2.335 10 20 JECD O=C(Cc1cnccn1)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1814997746 DQZLFQSKNGTOEN-QQOXCAACSA-N 464.482 2.265 10 20 JECD C[C@@H]1CC[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)O1 1818731425 MMLBBFMSIRTESF-QWQRMKEZSA-N 467.551 2.416 10 20 JECD O=C(CN1CCCCC1=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1822301301 YRCMZQJCSIFPHV-HXUWFJFHSA-N 491.552 2.207 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ccc(Cl)cc3[nH]1)CCO2 1829614989 YDJIMZRYMAGMPW-HSZRJFAPSA-N 486.912 2.011 10 20 JECD Cc1ncc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)s1 1832900631 XAUGHPPIPLARIK-QGZVFWFLSA-N 480.681 2.474 10 20 JECD Cc1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902732 RWXBTDMSQNZTRT-SFHVURJKSA-N 460.625 2.484 10 20 JECD CC(C)(C)NCC(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837855480 OCIQZVGVMFSMOB-UHFFFAOYSA-N 483.613 2.166 10 20 JECD CC(C)Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)n(C)n1 1838008815 XUSJKEVEKHDNOC-UHFFFAOYSA-N 485.585 2.351 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)C3CC4(CCC4)C3)CC2)CC1 1838818336 ISVVJSBEQFGTOE-UHFFFAOYSA-N 479.668 2.426 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C2)C1 1840881159 GJKUFOGFBOKIMY-NBTSYJHSSA-N 494.544 2.077 10 20 JECD COCC1(C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)CC1 1841596023 PGDAXIMBVPFQEA-HXUWFJFHSA-N 486.613 2.335 10 20 JECD O=C(COc1cc(Cl)ccn1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441817 QSOLXOOOJIZBHA-UHFFFAOYSA-N 467.913 2.110 10 20 JECD O=C(Cc1cccc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847035225 UMTOZICDLSZREG-SOFGYWHQSA-N 453.451 2.171 10 20 JECD CCOC(=O)c1c(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc(O)c(O)c2O)c[nH]c1C 1847666438 JQCOASPLKTXMAV-JMICBVPHSA-N 497.548 2.464 10 20 JECD COc1ccc(N2CCN(C(=O)CSc3nnc(N4CCOCC4)n3Cc3ccco3)CC2)cc1 22489524 VYPMXXJRZUWLTQ-UHFFFAOYSA-N 498.609 2.206 10 20 JECD CC[C@@H](C)NC(=O)CN1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 726722350 QLBUBBSUQJRJSV-QGZVFWFLSA-N 467.561 2.499 10 20 JECD CCOC(=O)c1c(S(=O)(=O)Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)n[nH]c1C 727248451 QKUSRDCVCNRRCY-UHFFFAOYSA-N 499.596 2.069 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3c(Cl)nc4sccn34)cc2)C1 728583934 MPBGIOVRBYKRKO-ZDUSSCGKSA-N 453.977 2.229 10 20 JECD C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 729598631 IEVJTNWEPZRSRC-MQSCRBSSSA-N 470.662 2.088 10 20 JECD O=C(CN1CCC(n2cccn2)CC1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 731354510 INVXIEQRIWXLQY-DEDYPNTBSA-N 499.618 2.266 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)cc3)CC2)cc1 747562414 TYNBXIWIVJYHBT-NHCUHLMSSA-N 495.624 2.186 10 20 JECD Cc1cc(C(=O)[C@@H](C)OC(=O)Cn2cc(S(N)(=O)=O)cn2)c(C)n1-c1ccc(OC(F)F)cc1 748428382 OZYUGEGTBRRBPP-CQSZACIVSA-N 496.492 2.354 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CNS(=O)(=O)c3ccc(Cl)s3)CC2)cc1 749838413 PGXYJDHMAFGEOZ-UHFFFAOYSA-N 487.047 2.017 10 20 JECD Cc1cc(C(=O)COC(=O)Cn2ccc(=O)n(C)c2=O)c(C)n1-c1cccc(Br)c1 915398608 RIHCBAKJFATTAX-UHFFFAOYSA-N 474.311 2.143 10 20 JECD O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1CC(=O)N1CCCS1(=O)=O 916834554 JHPULKUAPFSYKX-WQLSENKSSA-N 461.384 2.212 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NC[C@@H]1COCCO1 917814345 RQCVKPMYORWEEI-CRMJKIRDSA-N 457.371 2.182 10 20 JECD C[C@@H]1CN(c2ccc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cn2)C[C@@H](C)O1 917833743 SZHTXJOLIHUTNO-OPYAIIAOSA-N 451.571 2.327 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCNC(=O)c3ccc(Cl)cc3)cc2)C1 918006499 YWEKGJWSEFQUSN-SFHVURJKSA-N 457.962 2.271 10 20 JECD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 918310791 OXYDNLYBROHUSZ-UHFFFAOYSA-N 488.610 2.199 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccccc1S(=O)(=O)C(F)F 918438143 FDJTZCHQQQKBLN-UHFFFAOYSA-N 469.535 2.491 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)cc2)C1 918464898 DDGVYERSZDRIPO-WMZHIEFXSA-N 480.565 2.201 10 20 JECD CN1CCN(C(=O)c2ccc(NC(=O)/C(=C\C3=S=CC=C3)n3nnnc3-c3ccccc3)cc2)CC1 920010393 RTNXRPWARJZWRI-PTGBLXJZSA-N 499.600 2.485 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)nc4ccccc34)C2)C1 1777765052 RTYUBUGNMFJXEZ-AQBQYSGMSA-N 491.500 2.214 10 20 JECD CC(C)COc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)ccn1 1777848141 KIJCGTTXXQYASP-KBMIEXCESA-N 484.553 2.364 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781754117 WRENGLIVZCAHDR-FQRUVTKNSA-N 481.597 2.245 10 20 JECD CC(C)(C)n1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)n1 1782004911 PRUYAFMENNFBLZ-QFIPXVFZSA-N 462.934 2.460 10 20 JECD O=C(CC1CCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1783176096 PHPACOJUAAXYOR-PXDATVDWSA-N 452.555 2.483 10 20 JECD O=C(Cc1cnc2ccccn12)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1784049162 SOZAVENTLQRKBG-VHFSOBRXSA-N 484.940 2.235 10 20 JECD O=C1CCc2ccc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)cc21 1785509808 GFLOACTUTRDJED-OZJHFHSKSA-N 478.501 2.089 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3occc3c1O)C2 1802079597 LYZXVTLYEGBICG-MSBPNGLFSA-N 480.473 2.172 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)[C@H](O)c1ccco1 1802519219 AQNCDKXVLABWHG-GKVQRAMASA-N 487.516 2.207 10 20 JECD CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1803722795 GRASEXSKXWRXFX-VRKUVLAYSA-N 496.564 2.080 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804285721 IYAMNVRJWZLGMY-QGZGNFAASA-N 479.533 2.484 10 20 JECD O=C(Cn1cc(Cl)cn1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1807409952 ANBNTUSHNPAVPL-OUWGLZAPSA-N 497.939 2.468 10 20 JECD Cc1cnn(CC(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)c1 1807672905 CJNXEWJTOSQCDG-ADXKRPKKSA-N 477.521 2.123 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc2c[nH]nc2c1 1808056836 FHWVWVPHSDDNKR-LAUBAEHRSA-N 494.602 2.138 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccncc2O)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808467983 LXKSUOPWFZFPGK-UUOWRZLLSA-N 484.516 2.295 10 20 JECD CCC1(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)COC1 1808470242 UPWBAKYFOMFZGH-XXBNENTESA-N 475.549 2.307 10 20 JECD COc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(O)c1 1811751699 NSRGQGBENCSDIE-NYHFZMIOSA-N 464.478 2.235 10 20 JECD CC(=O)Nc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1O 1812047752 CTCXGMGWIJRKDO-HXOBKFHXSA-N 491.504 2.185 10 20 JECD Cc1noc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC3)n1 1815565697 GNRIKXMJKNPSED-JTQLQIEISA-N 463.903 2.368 10 20 JECD COC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1816803166 BGQUSHYYYNPYQZ-SFHVURJKSA-N 466.498 2.148 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnco1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817363627 KIHNJUBNIUKOPG-LBPRGKRZSA-N 450.480 2.150 10 20 JECD CC[S@@](=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146853 JCNNKQXFSYKMQK-GPWHBBDMSA-N 484.582 2.353 10 20 JECD COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)nn1C 1829845179 ZMTKEPJNMDMXEE-JOCHJYFZSA-N 492.580 2.455 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)[C@H](O)c1ccccc1 1834586213 GXURNVRSXIHJKO-CFSVISAESA-N 495.576 2.122 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccnc(F)c3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134662 RQHSCDPADRBMQS-UHFFFAOYSA-N 492.555 2.199 10 20 JECD COc1nccnc1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837294296 SSSXHXRLIXHDLJ-UHFFFAOYSA-N 490.944 2.476 10 20 JECD O=C(/C=C/c1cccc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433163 NLYQMBDAJZCVDQ-MCCBOCGNSA-N 488.924 2.240 10 20 JECD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501213 OAYBGDDTHPEZSK-OAHLLOKOSA-N 483.949 2.108 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)C23CC(c4ccccc4)(C2)C3)C1 1847140175 DLNOETGYJXBXOU-UHFFFAOYSA-N 455.605 2.172 10 20 JECD COc1cc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccc1OCC(N)=O 10898507 QIRWYWHBSYTLKL-UHFFFAOYSA-N 488.452 2.130 10 20 JECD CCN(CC)CC(=O)N1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 729052761 WIIVTZAUBLCRQX-UHFFFAOYSA-N 467.561 2.452 10 20 JECD COCCN1C[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1=O 914662583 UBZUTCUPRUTLEA-QGZVFWFLSA-N 456.495 2.086 10 20 JECD COc1ccccc1N1C[C@@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1=O 917831824 AWKJIASWFGTFKK-MOPGFXCFSA-N 450.539 2.066 10 20 JECD O=C(NCCCN1CCCC1)C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 918220618 GFTIICOXDPKPAA-UHFFFAOYSA-N 489.636 2.311 10 20 JECD CCOC(=O)c1c(NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)sc(C)c1C 920636762 JASDESQFXKJSDX-UHFFFAOYSA-N 470.525 2.414 10 20 JECD COc1ccc(C)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c1 1781005216 GUONKPVSWQXQHW-NTKDMRAZSA-N 455.511 2.251 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1)C2 1783219882 GXNNXCODZJZSSX-YXFHFNBESA-N 482.533 2.410 10 20 JECD O=C(CCc1c[nH]c2ccc(F)cc12)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783669624 KLQQRIKHIIUNAW-XMMPIXPASA-N 468.485 2.190 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cccnc1Cl)CCO2 1785506285 YUBCMYAJQKUUJY-LHXJMTLCSA-N 459.886 2.009 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CCO2 1785510145 OMGHHMARGLFPRA-KFVKGYIZSA-N 487.440 2.008 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)Cc1c(F)cccc1F)CCO2 1785510188 QUVVWGBWSBEHAS-COIATFDQSA-N 474.460 2.167 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC(C(F)(F)F)CC3)C[C@@H]21)c1cc(O)nc(O)c1 1787290460 VIDUXXCVVHBSMX-OTVRASKASA-N 471.476 2.455 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csc4c3CCCC4)C[C@@H]21)c1cc(O)nc(O)c1 1787292308 PXSDHAYQMKSVLG-OWQGQXMQSA-N 457.552 2.340 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC1(c2ccc(NC(=O)CN3CCOCC3)cc2)CCC1 1787908510 CNEUGZDHNPUTHX-YCRREMRBSA-N 467.522 2.283 10 20 JECD CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1793629658 QYLXYYHJLYCIKZ-XOIINTDNSA-N 497.976 2.258 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cccc(F)c1Cl 1799574556 MVIRCPZGOOEXRZ-YEZVWNJWSA-N 484.915 2.475 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(F)c1)C2)c1cc(O)c(O)c(Cl)c1 1799770986 XQHVVPXOOXRLKC-VTEUUUEMSA-N 466.868 2.475 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCC(=O)N2C1)c1cc(O)c(O)c(Cl)c1 1799932609 FLUKVLFONQBUII-RDDKANTKSA-N 461.946 2.404 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(C(=O)O)ncn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811797572 GMVLLCREWVAOSC-YJYMSZOUSA-N 497.895 2.268 10 20 JECD Cn1cc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)ccc2n1 1812096848 BEJDSWWTZJODJC-SBUREZEXSA-N 472.505 2.408 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)C1CC(F)(F)C1 1814539542 GLLLYUYYYREABO-LBPRGKRZSA-N 457.528 2.307 10 20 JECD CCCC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1820111135 DABQXFOUCWCGPL-LSDHHAIUSA-N 496.593 2.153 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc(Cl)n2)[nH]n1 1823500162 TXRNHSTZWMHITO-GFCCVEGCSA-N 479.975 2.019 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)Cn2cccn2)CC1 1827213241 IVTNMODDPRXYGV-ZLQZBKBYSA-N 454.527 2.333 10 20 JECD O=C(c1cc2cccnn2n1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428319 OFQSMPCKJWSKEW-IBGZPJMESA-N 450.499 2.083 10 20 JECD NC(=O)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)cc1 1827429541 WIYIFQDCEYOTPX-LJQANCHMSA-N 452.511 2.139 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cnc[nH]2)CC1 1827580250 YHSIBMDYIOHIHR-XZXOBPBMSA-N 454.527 2.402 10 20 JECD CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1832293520 NZJTXUBVPVLSPX-MHZLTWQESA-N 496.608 2.033 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)CC1)c1cc(O)nc(O)c1 1834988157 HBYWNLTZDFKABV-YADHBBJMSA-N 464.566 2.482 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)[C@@H]3CNc4ccccc43)CC2)CC1 1837876845 HVGYOQNZVLIITR-HXUWFJFHSA-N 466.538 2.314 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC=CCC3)C2)C1 1839433856 XAKMANYEBMXBCC-OYHNWAKOSA-N 450.919 2.178 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1onc3ccccc13)CCO2 1839545890 DJWVICNGJBSKTI-QHCPKHFHSA-N 487.896 2.276 10 20 JECD COc1ncc(Cl)cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O 1847200089 IAEQMOQFYYVZIR-TVKHYIBRSA-N 459.886 2.389 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2=NN(c3ccccc3)C(=O)C2)cc1F 1847370014 XMIZBQZBBALGIS-PMACEKPBSA-N 450.470 2.443 10 20 JECD CC(C)(C)OC(=O)NC[C@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 725805205 RNSFHDKPDUNNCH-GOSISDBHSA-N 450.555 2.125 10 20 JECD NS(=O)(=O)c1ccc(CN2C(=O)/C(=C/c3ccc([N+](=O)[O-])c(O)c3)SC2=S)cc1 726628368 WRDWVTLGWLEHGL-NVNXTCNLSA-N 451.507 2.349 10 20 JECD CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)c1 727245563 DFFFKFFLRXDUFG-UHFFFAOYSA-N 486.622 2.217 10 20 JECD CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 727247857 QKLQJWRMROHWPZ-UHFFFAOYSA-N 451.551 2.454 10 20 JECD C[C@@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 789010231 CWCPTMOUBYAGCD-CYBMUJFWSA-N 478.482 2.293 10 20 JECD O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)NCc1ccc(N2CCC(CO)CC2)cc1 918202597 WDECKRJWBZOKMP-UHFFFAOYSA-N 466.582 2.367 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cnc4sccc4c3=O)cc2F)C[C@@H](C)O1 918833854 MFJSCJQOFIZHNI-HUUCEWRRSA-N 488.541 2.070 10 20 JECD C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)c1ccc(N2CCOCC2)cc1 920871088 KCOJRYPUASVAOW-GOSISDBHSA-N 498.609 2.177 10 20 JECD Cc1ccc(C(=O)NCC(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1 1317950093 UMWCTMSMGXILEX-GASCZTMLSA-N 477.558 2.399 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccccc1F)C2 1783247050 NYAMTACWBJRPLR-WZONZLPQSA-N 493.626 2.133 10 20 JECD Cc1cc(C)c(OCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)c(C)c1 1787290368 SPLZGAHQPPILRY-IHPCNDPISA-N 469.538 2.090 10 20 JECD CC(=O)Nc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)n1 1794575867 ZOUFJWPELQCEMB-GGPHIMKMSA-N 474.521 2.085 10 20 JECD CC(C)(C)OC(=O)NC12CC(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(O)nc(O)c3)(C1)C2 1796602912 ZMUSFYNMGZPGLI-VHADKKONSA-N 472.542 2.192 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccncc1Cl 1798062184 IZDGHTFMHWVWPO-DPIQGUFMSA-N 452.294 2.317 10 20 JECD COC(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)s1 1799769168 PTZTUKMKPPXXMG-DBWKPXFBSA-N 494.953 2.045 10 20 JECD COc1ccc([C@H]2C[C@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1 1802078796 HZYKBGMPDPUAJF-YABFCOROSA-N 494.544 2.219 10 20 JECD CC(=O)CCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1806395098 IPNOXQRSPZUKDH-RIJQVAALSA-N 453.495 2.287 10 20 JECD CC(C)N[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)C(C)C 1807993365 IVRTZNJCPWZYTO-WTNAPCKOSA-N 455.559 2.230 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc3nccn23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998262 CCJYIVZTMPUNQA-OPAMFIHVSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cn2ccccc2=O)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811802790 CGOKBRVPETYAIJ-AOMKIAJQSA-N 482.924 2.328 10 20 JECD Cn1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)n1 1811803225 GKAPQPWXSJUPGH-QVKFZJNVSA-N 469.929 2.442 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cccc3[nH]ncc23)[C@@H]1c1cccnc1 1814189812 ZNSMSRGUJUGBSL-YCRPNKLZSA-N 494.602 2.138 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728502 RIJVKCQEADWQRT-DGCLKSJQSA-N 455.496 2.038 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ncccn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146701 XXXNSEHMXGSCQI-GOSISDBHSA-N 458.482 2.299 10 20 JECD Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)ncc1[N+](=O)[O-] 1818263694 XFSDADODQFQKEW-HNNXBMFYSA-N 467.442 2.447 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1cccnn1 1819719145 MVLSOXCTKIZFKE-DYLHUKMJSA-N 450.455 2.336 10 20 JECD CN(C)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cn1 1819938983 SYNLSNDBMDRCIH-MRXNPFEDSA-N 451.487 2.297 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@@H]1CCc2nc[nH]c2C1 1822688271 JNHLFVIFWRUNNF-SJKOYZFVSA-N 451.487 2.050 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccn3ccnc3c2)[nH]n1 1823499984 IVCSSTWHTQFIJS-HNNXBMFYSA-N 483.579 2.224 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(=O)n2O)CC1 1825497560 VXJLKLPNTCASAB-XSFOEPMVSA-N 483.521 2.149 10 20 JECD COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)C1 1825978818 UIERLXFTOHUGBY-BZPMIXESSA-N 474.539 2.155 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ccccn3n2)CC1 1827392943 QRQFTXIFSHRZGV-KRWDZBQOSA-N 450.499 2.083 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)CCCn1cccc1)CC2 1828250030 NSFGPZWUGNAJFU-CYBMUJFWSA-N 477.637 2.197 10 20 JECD CC1(C)CC(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)C1 1828250643 YKJBXFHVHUDVRT-NSHDSACASA-N 452.627 2.352 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2c(O)cc(O)cc2O)CC1 1830645099 LVVFPGBIZYEYHO-INIZCTEOSA-N 457.483 2.157 10 20 JECD O=C(Nc1cccnc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876886 QAJUMQQOLCAPCC-FHVRUZERSA-N 494.548 2.470 10 20 JECD CCc1[nH]nc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1F 1832896849 RONHBUHABHKJOQ-OAHLLOKOSA-N 481.619 2.205 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(F)(F)F)CC1)CCO2 1836721102 ZLQQQDPVLMJDCA-GOSISDBHSA-N 478.851 2.164 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)nn1C(F)F 1838030389 WAWSJAWFOPJQME-UHFFFAOYSA-N 479.484 2.319 10 20 JECD Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)n[nH]1 1838110483 NVLBMAKPZQNNJW-UHFFFAOYSA-N 492.580 2.052 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1839434340 ZRMWIUBOKBNDBJ-QHCPKHFHSA-N 486.912 2.011 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1841888186 UFQQLLYLRGRKLE-QHCPKHFHSA-N 471.561 2.039 10 20 JECD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c(-n2nccn2)c1 1843442487 NDHGHBYQWUONTI-UHFFFAOYSA-N 483.532 2.186 10 20 JECD O=C1COc2ccc(C(=O)N3CCCC34CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)cc2N1 1844080560 MCANGYHHORBKNU-UHFFFAOYSA-N 457.870 2.213 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cc(Br)cc3cn[nH]c23)C1 1844128444 SKFLDOGNLQQFAC-UHFFFAOYSA-N 472.299 2.262 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 16135075 JDMOQTNOQJCPDX-UHFFFAOYSA-N 489.594 2.012 10 20 JECD Cc1cc(C(=O)CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)c(C)n1-c1ccc(Br)cc1 16544356 RJBYKKUHYNUDJC-KRWDZBQOSA-N 496.383 2.394 10 20 JECD COC(=O)c1ccc(COc2ccc(/C=C3/SC(=S)N(CC(N)=O)C3=O)cc2OC)o1 727175908 HUPJQOOUSKRKQJ-LZYBPNLTSA-N 462.505 2.340 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730590895 WDASZMFGVSMGGT-LJQANCHMSA-N 469.513 2.227 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1F 731408009 ADDJOLWVBTUDIE-UHFFFAOYSA-N 470.545 2.328 10 20 JECD CN(C)c1ccc(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1F 746718886 VROGRXWGPBKFGA-UHFFFAOYSA-N 464.563 2.053 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)cc2F)C[C@H](C)O1 748461892 RVSHRCYKBGTGBT-PMACEKPBSA-N 498.603 2.372 10 20 JECD O=C(CN1CCC(c2cn[nH]c2)CC1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 750478372 GRNSLOPCNAUIDP-JMIUGGIZSA-N 499.618 2.335 10 20 JECD CC(C)N(CC(N)=O)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 914405986 GFMOIXLFYQUQJQ-NTUHNPAUSA-N 456.387 2.373 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3cc(S(=O)(=O)N4CCCC4)c(C)o3)CC2)cc1 915829163 GJFHGEHHIJGHBR-UHFFFAOYSA-N 490.626 2.323 10 20 JECD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 916673818 NSALXQBJQXKSKE-UHFFFAOYSA-N 478.546 2.433 10 20 JECD NS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 919969675 CHZIUCWCOJDBIC-UHFFFAOYSA-N 482.400 2.235 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCOCC2)cc1 920925172 HZUPYNIZLWAYST-GOSISDBHSA-N 486.594 2.124 10 20 JECD COc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)cc(OC)c1C 1783035850 VGJVCFYWPHNEQP-CJFMBICVSA-N 485.537 2.260 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(F)c[nH]1)C2 1783223074 UHHFFLHDIVEBBN-ITZOUANZSA-N 459.474 2.112 10 20 JECD CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cn1 1785882628 QEPGRXGWFSOKKE-MFEKCTPRSA-N 467.522 2.068 10 20 JECD COc1ccc([C@H]2C[C@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1 1793523412 RVSIYQUYMFYVOL-LMCLKVLCSA-N 473.620 2.297 10 20 JECD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)N1CSCSC1 1796934429 BWWBOKRYVJOBQJ-ZAWLATJESA-N 487.651 2.461 10 20 JECD CC[S@@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1797608489 UPFRHKBHZAJDCF-WDYRALKASA-N 471.623 2.456 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc(Cl)cc1 1798932352 UEXJVZPVIUILNR-FAQVEIGNSA-N 466.925 2.336 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2)c1cc(O)c(O)c(Cl)c1 1799767150 UHQZGCPKFQYJDS-YVWYUNDQSA-N 475.885 2.105 10 20 JECD CC(=O)c1cc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n[nH]1 1805262484 BPXLDDKWCOXPLN-VVVOIBFMSA-N 491.504 2.157 10 20 JECD Cc1nnc(CC(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)s1 1807541632 UFKUWIDPLYLHSV-VVVOIBFMSA-N 495.561 2.320 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CC23CCCN2CCC3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999566 LYEXGDIYMIQIJD-MBSDFSHPSA-N 465.554 2.226 10 20 JECD Cc1ccc(C(=O)C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1807999626 VGXPGCLNHGANKQ-XMSQKQJNSA-N 460.490 2.399 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(CO)c(F)c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999726 FGPPXMGSHLMXOO-OPAMFIHVSA-N 466.469 2.153 10 20 JECD O=C(CC(F)(F)C(=O)O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1808296357 NCCZVMHHHYHARY-UVKZZVNJSA-N 491.447 2.028 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1nc2ccccc2o1 1812095403 RQKNCWOGUABVCW-MGPUTAFESA-N 495.586 2.403 10 20 JECD Cc1cc(C)n(CC(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1814162020 FBTLNTRXAUCQMB-MMXNXPDASA-N 491.548 2.431 10 20 JECD CC(=O)NCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162528 TWDXEQCLAUESJA-XISBUJSRSA-N 496.564 2.080 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C23CC(F)(C2)C3)n[nH]1 1815291820 WEJQXWONVCSTFY-PIHIASKNSA-N 451.549 2.154 10 20 JECD CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)N(CC)CC 1815332010 HVCMPDJTABJTAJ-CVEARBPZSA-N 480.660 2.383 10 20 JECD O=C(CN1CCCC1=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1817160722 NQKDIRMOZCZWJK-HNNXBMFYSA-N 461.906 2.403 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cnnc4ccccc34)sc2C1)c1cc(O)nc(O)c1 1818182977 INDOIABCBXQFBO-LBPRGKRZSA-N 462.491 2.432 10 20 JECD O=C1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CN1 1821290697 AGSKSJJOUMEPNI-XHDPSFHLSA-N 461.906 2.306 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(F)nc2)[nH]n1 1823497209 SLUOCZHJACUFBT-OAHLLOKOSA-N 490.586 2.429 10 20 JECD CCc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)n(C)n1 1828198200 VEJDETNSNBIZIK-KVEVGEHQSA-N 483.550 2.495 10 20 JECD O=C(c1cncc(F)c1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898527 NVNBSIWJHMFYEU-KRWDZBQOSA-N 464.588 2.314 10 20 JECD Cn1nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c2c1CCC2 1832902848 ZVQRRHXXCKFIHU-KRWDZBQOSA-N 489.667 2.002 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)[C@@H]1CCC(F)(F)C1 1833042737 HIIHEOMKRLXSKC-CQSZACIVSA-N 452.502 2.113 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3)CC2)CC1)c1cc(O)nc(O)c1 1834987988 FOUQTKBBTJFLNI-UHFFFAOYSA-N 493.486 2.406 10 20 JECD C/C(=C/C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)C(=O)O 1838688687 VTISADKJBWHDMP-RAXLEYEMSA-N 466.918 2.394 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)C1 1842051202 VDYFYQOYFLADOC-UHFFFAOYSA-N 486.541 2.097 10 20 JECD Cc1cnc(C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)cn1 1842417059 FGIRTHQXNMHSPZ-HXUWFJFHSA-N 494.596 2.320 10 20 JECD O=C(c1ccccc1OC(F)(F)F)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847050464 ADHXAXLFPDPKKD-UHFFFAOYSA-N 473.498 2.263 10 20 JECD C[C@H](OC(=O)Cn1nnc2ccccc2c1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 16275482 REXASEVZJUSSLJ-AWEZNQCLSA-N 482.452 2.137 10 20 JECD CCN1CCN(c2ccc(CNC(=O)[C@H]3CCN(c4ccc5c(c4)OCCO5)C3=O)cc2F)CC1 730549455 LRSVRMMVZRWBNZ-HXUWFJFHSA-N 482.556 2.408 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3sccc3S(=O)(=O)C(F)F)nc12 731093901 MMTITYIUVVHYSA-UHFFFAOYSA-N 461.424 2.026 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)/C(=C\c3ccc(F)cc3)n3nnnc3C)CC2)cc1 818185848 XYOPCHHLXBBHGE-PXLXIMEGSA-N 480.500 2.019 10 20 JECD CS(=O)(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1 906482419 MJNIZERNRNJODE-UHFFFAOYSA-N 472.591 2.418 10 20 JECD C[C@@H]1CN(C(=O)COC(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)CCO1 913364012 VMZYAPSXMYBDCW-AZZDOICSSA-N 499.408 2.441 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1 918705758 ISNMWECZYUWTHK-KRWDZBQOSA-N 462.472 2.453 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)COc3ccccc3C=O)cc2F)C[C@@H](C)O1 918858517 IBNHUUZWOGHTQQ-CALCHBBNSA-N 458.486 2.490 10 20 JECD O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCc1ccc(N2CCOCC2)cc1 919767040 MDBCZAFCSNHWSR-UHFFFAOYSA-N 458.312 2.198 10 20 JECD COCCN1C(=O)/C(=C/Nc2sc3c(c2C(=O)OC(C)C)CCCC3)C(=O)NC1=S 920978521 HLGOMXKBWXHZEE-JLHYYAGUSA-N 451.570 2.378 10 20 JECD COCCN1C(=O)/C(=C/Nc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)C(=O)NC1=S 920979137 XNKXQDLLFAKAMQ-QGOAFFKASA-N 488.591 2.290 10 20 JECD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)ccc1F 1781674124 RXLHVAFSINMRJF-VWLOTQADSA-N 464.497 2.371 10 20 JECD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)n1cccc1C=O 1782002795 WNVVBPFASWRFQV-FPTDNZKUSA-N 461.902 2.070 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C2)C1 1783806332 DYUXMSIGJAJDLM-VHSZZVNMSA-N 472.545 2.413 10 20 JECD Cc1csc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1 1784686874 SBJIXEKBLCEDBL-QRFRQXIXSA-N 466.563 2.443 10 20 JECD CCSc1cccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785508127 YJUQGTGICFHGCZ-HLZSCNFSSA-N 485.562 2.467 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ncccc1-c1ccccc1 1787684031 VICXFPYKWXKSOR-YYWHXJBOSA-N 474.517 2.462 10 20 JECD CS(=O)(=O)CCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1 1791989020 BIMUBFYFSJWWGW-ONNFQVAWSA-N 474.535 2.385 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4sccc4s3)C[C@@H]21 1792239139 NUGDRQUAMSEFMY-AVGNSLFASA-N 495.673 2.416 10 20 JECD COc1ccc(/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)c(OC)c1OC 1793256123 JBKPCJIOWOMEAI-VYMNDLDVSA-N 483.521 2.484 10 20 JECD CO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1798418521 VCHNHIQWYMSVNZ-IQZDNPOKSA-N 491.585 2.207 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)ccn1)C2)c1cc(O)c(O)c(Cl)c1 1799769467 OTKDNZXIFTZTII-DPIQGUFMSA-N 452.294 2.317 10 20 JECD CN1CCCn2nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(O)c(O)c(Cl)c3)C4)cc2C1 1801187322 QDCXWUFCEHUINM-MUJYYYPQSA-N 473.961 2.349 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccccc1OC(F)F 1801816435 GCACZDOHWYQWCP-SYSDTLGTSA-N 490.459 2.321 10 20 JECD COc1ccc([C@H]2C[C@@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1 1802078795 HZYKBGMPDPUAJF-PPXDONFUSA-N 494.544 2.219 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cn3c(F)cccc3n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999261 KADJQDKSUDDYFR-OYHNWAKOSA-N 476.468 2.308 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccnnc2O)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811805585 BIVPGZCPXJFIJE-FZKQIMNGSA-N 469.885 2.275 10 20 JECD CC[C@H](C)[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1814851627 AUUODDQFWKLSFR-MNVSYLFESA-N 468.583 2.221 10 20 JECD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)C1(O)CCC1 1817357067 KUJVICHZTIFCPG-GJZGRUSLSA-N 481.578 2.399 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3c[nH]c4cnccc34)sc2C1 1819418437 IEDSHBGCZIZOSC-SNVBAGLBSA-N 486.604 2.106 10 20 JECD COc1ccc(F)cc1C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828249999 MGQNISQVLVAMBK-NSHDSACASA-N 494.595 2.377 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)no2)CC1 1829367760 JGWBHTQTEWKICS-BIENSFFJSA-N 457.483 2.444 10 20 JECD O=C(c1cccc(F)n1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901985 WOOGDQSOYBJFFF-INIZCTEOSA-N 464.588 2.314 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(N2CCC(NC(=O)C(F)(F)C(F)F)CC2)CC1 1833648888 YAUHNJNVFRSNJW-DUXPYHPUSA-N 489.466 2.289 10 20 JECD O=C(CC1CC1)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1834558079 RHKAWTATGXTMQV-UHFFFAOYSA-N 451.571 2.151 10 20 JECD CO[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccccc1 1834988156 PTPBNYPJQNJTKW-QHCPKHFHSA-N 468.554 2.066 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CCc3c[nH]c4ncccc34)CC2)CC1)c1cc(O)nc(O)c1 1834988176 IHTLALDXBIBWKD-UHFFFAOYSA-N 492.580 2.187 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccccn3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134338 GCAKQEDHLFXKPP-UHFFFAOYSA-N 474.565 2.060 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1C[C@@H]3CC[C@H]1C3)CCO2 1839916293 MJJSALRRYBMZSF-NIAGZWBESA-N 486.565 2.099 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1841356788 HWCOYDNCEBWVMG-HEWZJLJBSA-N 475.542 2.181 10 20 JECD O=C(c1cc(Br)ccc1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250584 OAGAWNAXTUZHDW-UHFFFAOYSA-N 477.271 2.294 10 20 JECD COc1ccc(N2CCC(NC(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)CC2)cc1 110358118 RPNNYTYDGWUDHS-DEOSSOPVSA-N 454.502 2.387 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)cc1C(=O)O 728015822 WRROHXRNTDPNLR-UHFFFAOYSA-N 468.509 2.134 10 20 JECD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 728632704 AOBNVLKHBWDAMP-QHCPKHFHSA-N 494.548 2.085 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H](C)NC(=O)C(C)(C)C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 826541952 HKXVPJAVHRDZCM-CQSZACIVSA-N 463.556 2.018 10 20 JECD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 888338094 ODDOGKOJSLWKHO-NRFANRHFSA-N 464.574 2.010 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(N4C[C@H](C)O[C@@H](C)C4)nc3)CC2)cc1 915035500 NPPZZNQLPREHTR-OALUTQOASA-N 468.554 2.209 10 20 JECD CCOC(=O)c1sc2ncn(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c(=O)c2c1C 917180565 CQZTWQNVCYMDAE-UHFFFAOYSA-N 488.541 2.235 10 20 JECD COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O 918335664 RJUVCVAOIAPTKF-KRWDZBQOSA-N 491.997 2.253 10 20 JECD CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 918443750 ZJUHDSNEXVFAFX-UHFFFAOYSA-N 479.986 2.207 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H](C)NC(=O)C3CCCC3)cc2F)C[C@@H](C)O1 919353490 KLYRKRPFTHBXAO-IXDOHACOSA-N 463.550 2.294 10 20 JECD Cc1cnc(Cl)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1 1777847584 GHMSSGHUPVRSAC-OPAMFIHVSA-N 460.918 2.291 10 20 JECD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)N1CSCSC1 1782007009 GADCDHLWYFLGML-ZUOKHONESA-N 488.031 2.238 10 20 JECD Cc1nccn1[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1782632618 YHRFHZDZNPVXDA-VXPSPWCDSA-N 484.553 2.097 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1nc(Cl)ccc1F 1785475533 YUTMCAQFWKTTOR-QOKNQOGYSA-N 499.930 2.260 10 20 JECD CSc1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785507000 IAGSPNVOZWNDGD-NKOINVLESA-N 471.535 2.077 10 20 JECD CS(=O)(=O)c1cncc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)c1 1787049888 QSSGESVFNHSETR-UHFFFAOYSA-N 482.518 2.353 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccoc3C(F)(F)F)C[C@@H]21)c1cc(O)nc(O)c1 1787292373 WJMYOZMQQTWHFQ-BPNCWPANSA-N 455.389 2.012 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cc(Cl)ncn1 1789058762 VGDBKSDXKJEDHE-PKWAYOAASA-N 467.309 2.102 10 20 JECD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790246170 PLDJNWAZQGQBSR-ZZKADIETSA-N 492.956 2.100 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2ccccc12)C1=NN(c2ccccc2)C(=O)C1 1797359581 XEBLCHWXUYBGCT-GGPHIMKMSA-N 456.506 2.379 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccn2ccnc2c1)C1=NN(c2ccccc2)C(=O)C1 1798105644 JGMYLXCSCUJOMT-FNLKRUPLSA-N 456.506 2.379 10 20 JECD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc(OC)c1C 1801834045 CSJCVHISTFQBHF-PGTXOHQNSA-N 498.532 2.046 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccc(Cl)c1)C2 1802078776 FDRKFVAFLLTVRA-KPWQLMOHSA-N 488.924 2.139 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cc2cccnc2s1 1804333777 XIISBVBJARAWGN-BTTYYORXSA-N 460.606 2.408 10 20 JECD CC(=O)NCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1806185679 CMRRRMDKGDGPRV-UHFFFAOYSA-N 481.597 2.173 10 20 JECD CC(C)n1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n1 1807994242 DZJSBPKMYINZKO-IERDGZPVSA-N 450.499 2.299 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccn3ccnc3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995888 KVBGDEYAYLUEEN-VGOFRKELSA-N 458.478 2.169 10 20 JECD C[C@]1(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)CCCN1 1808075109 GCHBNFUOWCIRNX-RQADYFSKSA-N 474.565 2.022 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2cnccn2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468887 GFAXOEZIMYQLIX-OYXVSLRXSA-N 495.543 2.384 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cnccc1Cl 1810614990 CBGZERWDACTESB-LIRRHRJNSA-N 490.010 2.310 10 20 JECD COC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811799810 ZFGINDQOBGVTFO-JLTOFOAXSA-N 461.902 2.419 10 20 JECD CC1(C)CC(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)C1 1813128344 BVEZUHCQEVRTKB-BEFAXECRSA-N 460.625 2.384 10 20 JECD O=C(CCc1ccc[nH]1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1817532056 ZXADNONZUWTNGG-OAHLLOKOSA-N 460.585 2.223 10 20 JECD Cc1nccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)n1 1817739657 PKAJMNJOKFOLLJ-CQSZACIVSA-N 475.534 2.260 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2nc(O)n3c2CCCC3)[nH]n1)c1cc(O)nc(O)c1 1817846442 YFWHOJVSJAUUPF-AWEZNQCLSA-N 467.486 2.074 10 20 JECD Cn1ccc(=O)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823475628 FDOCGERJDKUGKE-DBWMJRBXSA-N 479.493 2.245 10 20 JECD N=C(N)SCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715928 VQVIIQRSFCVBSS-HXUWFJFHSA-N 484.626 2.416 10 20 JECD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1)n1cnnn1 1830740528 KQCPYKYJDTXZTO-DYVFJYSZSA-N 462.938 2.232 10 20 JECD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877092 SWASTDGHLDYDLA-BIENSFFJSA-N 485.497 2.381 10 20 JECD Cn1cnc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)c1 1832877656 WRTRZAATBCVPPH-FNQPIQQGSA-N 454.527 2.484 10 20 JECD Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cn1 1833804542 CAYKVOQVNYMAJB-UHFFFAOYSA-N 467.570 2.014 10 20 JECD CSCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834985876 MUVJGPRELZHHAO-UHFFFAOYSA-N 450.605 2.067 10 20 JECD CCC[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)CC1 1836419581 MZSWKPBVRGCPGC-XFAGBWLFSA-N 461.559 2.169 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)[C@@H]2CC(c3ccccc3)=NO2)C1 1841558819 AKVLXLGNSYEGFT-MFUYTVRRSA-N 463.490 2.213 10 20 JECD COC[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1841662838 PRRRJBPKZPQYMM-AEFFLSMTSA-N 491.585 2.020 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)COc2ccc(Cl)c(Cl)c2)C1 1842685641 IAUFLYZOCGLISM-UHFFFAOYSA-N 488.418 2.436 10 20 JECD CC(C)(C)OC(=O)N(CC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)C1CCCC1 1843320600 DYKUOFTVAYZYKK-UHFFFAOYSA-N 474.558 2.490 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2cccnn2)C1 1844437506 WKBDVUKMWSTCDD-HXUWFJFHSA-N 480.569 2.012 10 20 JECD O=C(c1ncccc1-c1ccccc1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054717 XMHLCUOJXIBMHD-UHFFFAOYSA-N 466.588 2.426 10 20 JECD O=C([C@@H]1[C@@H]2CCC[C@H]1c1ccccc1N2)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056889 SHBMHMOAUXELHQ-MDKPJZGXSA-N 484.647 2.428 10 20 JECD COCCOc1ncccc1NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 728137946 MEPPIPKKLBVSLS-HOTGVXAUSA-N 460.506 2.114 10 20 JECD CSC[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 728300534 HVZMGAFUVDVHRO-PCCBWWKXSA-N 459.612 2.388 10 20 JECD NC(=O)N1CCCN(C(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CC1 729361955 VOKGWFWRKODLIG-UVTDQMKNSA-N 483.413 2.263 10 20 JECD C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)C1 731280833 DWFBZDFREFIPQS-PZJWPPBQSA-N 489.636 2.309 10 20 JECD Cc1cc(C(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)c(C)n1-c1cccc(Br)c1 748430411 ZCQINAKKTSJULO-UHFFFAOYSA-N 495.355 2.127 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 915109225 VFGYSOXSUYOSJB-UHFFFAOYSA-N 452.536 2.467 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(C)c(-n4cnnn4)c3)CC2)cc1 915345852 RBHMZKPQGGXKAM-UHFFFAOYSA-N 450.547 2.313 10 20 JECD Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 917394421 RKSQSKPXRAJBAU-HKUYNNGSSA-N 480.034 2.196 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(OCC(=O)N(C)C)cc3)cc2F)C[C@@H](C)O1 918286493 IICGAUVFORKWPJ-IAGOWNOFSA-N 486.544 2.161 10 20 JECD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1ccccc1 1783243500 JCJPJMHTBOJXPE-PRCFCKQXSA-N 475.636 2.164 10 20 JECD Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1F 1785509768 CVSMSDKUVZTYTF-COIATFDQSA-N 456.470 2.408 10 20 JECD C[C@@](O)(C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1)C(F)(F)F 1786599423 ZSDRQQJFBXLGDP-QGZVFWFLSA-N 475.514 2.294 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)[C@H]1CC=CCC1 1789832482 SGLRCVXFZYDHCO-JEEBJRHZSA-N 450.539 2.115 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1794080193 XJGFLVKBHHAVJP-APWUFGDNSA-N 485.588 2.474 10 20 JECD CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)c1 1796603825 ZCHFFWOTZULNBF-BTTYYORXSA-N 479.942 2.115 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCn1c(O)nc2ccccc21)c1cc(O)nc(O)c1 1799826794 NLLDSGVUQZIADN-BJWYYQGGSA-N 465.510 2.280 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(-n2cncn2)c1)C1=NN(c2ccccc2)C(=O)C1 1800724117 XFYNTBYKZDMCHX-FJPGZJACSA-N 483.532 2.312 10 20 JECD O=C(CNc1ccc(F)cc1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807069098 YEXHGWTWQOEOKQ-HJPURHCSSA-N 465.485 2.459 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccn3ccnc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995206 FCMHWLMJRQAGJJ-HRAATJIYSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)[C@H]1CC=CCC1 1808150600 GFUFREHDJVMWGF-KNBMTAEXSA-N 458.609 2.304 10 20 JECD COC(=O)c1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1813200277 JIMKTPNMMREEKM-NTKDMRAZSA-N 490.516 2.237 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)/C=C/c2cccnc2)[C@H]1c1cccnc1 1814184949 ISRWBOGOCJWANI-IHMXKHASSA-N 481.603 2.056 10 20 JECD Nc1ccccc1/C=C/C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814186602 UESROBCNTBKGRX-PWISXXLXSA-N 495.630 2.243 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)C(F)(F)c2ccco2)[C@H]1c1cccnc1 1814190036 PCBXUJNAHBEXSB-KDOFPFPSSA-N 494.545 2.333 10 20 JECD CC(C)(O)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1814336430 HPPYXABGEHPYHV-CYBMUJFWSA-N 455.540 2.009 10 20 JECD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1)n1ccnn1 1823712592 PWOZSUARDPWULJ-KOLCDFICSA-N 462.919 2.286 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)Cc2ccccc2)CC1 1831551747 ZFVWXTUCVILZND-WOJBJXKFSA-N 489.663 2.070 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccn2)CCO3)cc1 1833976689 JIYYOSVNQCZASS-SANMLTNESA-N 475.549 2.268 10 20 JECD CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)C1 1841520547 ZXXAESWWEMXMBK-UHFFFAOYSA-N 493.564 2.160 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)c1ccon1)C2 1844251579 IGFMXXDRURHDEN-KRWDZBQOSA-N 486.525 2.039 10 20 JECD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038429 QTQWFDUQNFRCSN-HWKANZROSA-N 457.414 2.381 10 20 JECD Cc1ccc2cc(C(=O)N3CC4(CCCN4C(=O)CN4C(=O)CSC4=S)C3)ccc2n1 1847054119 GGEZWXVSGRGUFL-UHFFFAOYSA-N 454.577 2.221 10 20 JECD O=C(Cc1cccc(Br)c1F)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1847638413 KNCXLLLDMWZANJ-GJZGRUSLSA-N 464.291 2.453 10 20 JECD CN(C)c1ccc(CNC(=O)CN2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1 15448374 YWKDUCGIEZREAV-UHFFFAOYSA-N 481.000 2.390 10 20 JECD COc1cccc(CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1O 727762525 OMQKTNGMXNZKNE-UHFFFAOYSA-N 450.421 2.390 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCC[C@@H]3CN3C[C@H](C)O[C@H](C)C3)CC2)cc1 729606536 INWYVURYFRSFRU-FUPPJEDESA-N 459.635 2.100 10 20 JECD NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2)C1 731117444 NNFNCQZTUGSDCS-JOCHJYFZSA-N 497.615 2.484 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cccc(NC(C)=O)c3C)CC2)cc1 915744463 JHBWIQQFAGFNJV-UHFFFAOYSA-N 467.570 2.229 10 20 JECD O=C1CN(C(=O)c2ccc(CNCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CCN1 916834778 ABSWLSZFGYQLFP-UHFFFAOYSA-N 451.527 2.447 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCCNS(=O)(=O)c3ccccc3)cc2F)C[C@@H](C)O1 918203165 WDQNKEWLCUIZPK-CALCHBBNSA-N 464.563 2.217 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 918438059 FDHODQDWTXWYRM-UHFFFAOYSA-N 496.461 2.334 10 20 JECD COc1cc(OC)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1Cl 918464557 WUOADNRLDKGYHN-OAHLLOKOSA-N 474.945 2.314 10 20 JECD O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 919087285 MXMBCCGHPNZMNY-SFHVURJKSA-N 461.534 2.003 10 20 JECD Cc1cc(NC(=O)CSCC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)no1 919699559 SAMKVKSXHCCSQD-UHFFFAOYSA-N 499.572 2.227 10 20 JECD COCc1cccc(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919800470 VBPKNOMUXBIUPL-UHFFFAOYSA-N 478.528 2.344 10 20 JECD CCOC(=O)N1CCC(NC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 935281262 LLMJEXPGESDGGH-UHFFFAOYSA-N 492.510 2.452 10 20 JECD COc1ccc(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1 1777851302 FPYFZLHFWPSAME-WZONZLPQSA-N 459.474 2.082 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(F)CCCCC2)C1 1778819968 KAJVTOLKSAMTTR-FOIQADDNSA-N 471.620 2.033 10 20 JECD Cc1c(Br)cc(F)cc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1780202785 PTYVAOASHWWIKN-NRFANRHFSA-N 494.317 2.460 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C(F)(F)F)c[nH]1)CCO2 1785505984 WUQJAHUVANFWGU-ZZNNXKBLSA-N 481.427 2.307 10 20 JECD Cc1ccn(CC(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)n1 1786921179 BXHXOJQJJCGYPF-UHFFFAOYSA-N 457.581 2.186 10 20 JECD C[C@H](NC(=O)c1ccccn1)C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1791048915 UBVGPFBFFIIGLD-HNNXBMFYSA-N 475.505 2.454 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]3C2)cc1 1791773586 CKXSTWLIEUMHOO-PMVMPFDFSA-N 487.622 2.122 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1occc1Br 1796544936 PFLSFVKFSBFUDL-ZAHULMEISA-N 493.310 2.076 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc2c(Cl)ccnc2c1 1799887116 IOHMWYQYQWGWQT-USGNIVHTSA-N 468.897 2.211 10 20 JECD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(C)n1 1801229846 NOOHWZFKTGGKQG-VSVJTWGKSA-N 489.576 2.014 10 20 JECD CCn1nc(C(C)C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802080558 VKZWMJXBVJZJNV-QUKZKKHZSA-N 484.553 2.060 10 20 JECD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)nn1C 1803290330 BLTISINGZSFACK-YGFSBTMISA-N 491.548 2.202 10 20 JECD COc1ncccc1CCC(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1807063628 CAHWFDWUQYLKEP-UHFFFAOYSA-N 454.527 2.374 10 20 JECD Cc1ncncc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808470337 WDYYUVVMIFJXER-DVECYGJZSA-N 483.532 2.293 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)CSc3ncccn3)sc2C1 1815635373 RKDGTGKJNGITHM-LPZVBRGNSA-N 499.574 2.468 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3cncn3c1)CC2)c1cc(O)nc(O)c1 1816726302 SMRDJKZSHOVEDJ-CYBMUJFWSA-N 450.480 2.137 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cn3ccsc3n1)CC2)c1cc(O)nc(O)c1 1816726676 WVRGUNAKHIIFGD-JTQLQIEISA-N 456.509 2.198 10 20 JECD N[C@@H](Cc1cccnc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1817189510 AQGHEDPUYGUHIZ-HIFRSBDPSA-N 487.969 2.399 10 20 JECD C/C(=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1)C(=O)O 1818147867 NVXXKVHAGKFWDN-RMHQSFGDSA-N 464.482 2.226 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cn2ccsc2n1 1819141201 CWPIHVHTEGETGB-CYBMUJFWSA-N 489.608 2.285 10 20 JECD NC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)c1ccccc1 1826978687 GEAJRBJLRZVMAY-SFTDATJTSA-N 452.555 2.469 10 20 JECD O=C1NCc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)ccc21 1827427916 DSEYLKOYHPESLC-FQEVSTJZSA-N 464.522 2.283 10 20 JECD COc1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1F 1828250019 NELXIASEVXYRGW-SNVBAGLBSA-N 494.595 2.377 10 20 JECD CC(=O)N[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)C(C)(C)C 1832896490 JRIANZJKRIFQND-XLIONFOSSA-N 496.699 2.017 10 20 JECD O=C([C@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900206 LXANMWUQCCKORR-DLBZAZTESA-N 453.630 2.036 10 20 JECD Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)nc1C 1834988018 JGZOCPORLJAVSV-UHFFFAOYSA-N 453.543 2.004 10 20 JECD COCCCC(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836652103 WOIFGRSXBFESNR-UHFFFAOYSA-N 470.570 2.205 10 20 JECD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1F 1839432173 FZNKIASTCCTGBE-HSZRJFAPSA-N 494.903 2.283 10 20 JECD Cc1cccc(F)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840652408 LHINOTNKJYDVHD-UVXPNCNTSA-N 486.496 2.034 10 20 JECD Cc1c(Cl)ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)c1Cl 1840662347 SVHRDCGRFBRANY-JOCHJYFZSA-N 496.347 2.492 10 20 JECD Cc1cccc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881323 PCUPCPCXENTKTM-QGVYAHRCSA-N 482.533 2.204 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 1845739845 QYBPDPXCDXQFAS-UHFFFAOYSA-N 490.588 2.487 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1COc2ccccc2O1 1847753402 FDLHCMKPLJNAQF-SBYSMZTKSA-N 466.490 2.249 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)CC2)cc1 32764220 QSUKFXWAUNYARW-UHFFFAOYSA-N 464.566 2.286 10 20 JECD COc1ccc(N2CCC(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 110424961 HXJRUMQKSYBWPG-UHFFFAOYSA-N 477.558 2.254 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)OC)cc1C 726521453 ZZFPHYNAUPCZBY-UHFFFAOYSA-N 476.554 2.192 10 20 JECD O=C(COC(=O)CCc1nc(-c2ncccn2)no1)Nc1cccc2c1C(=O)c1ccccc1C2=O 727905178 OQKGYYMDKBQHME-UHFFFAOYSA-N 483.440 2.417 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H](c1ccccc1)N1CCCCC1=O 731224835 MGQHOLIXBYQCSK-HSZRJFAPSA-N 455.580 2.291 10 20 JECD COc1cccc(CNC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)n1 748098615 BNZZTVAGEDTATB-UHFFFAOYSA-N 458.452 2.435 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)CC2)cc1 751385245 JDEATSXEMGUJSK-NRFANRHFSA-N 490.608 2.362 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(C)n1-c1ccc2c(c1)CCC2 914658119 ZETUZKKTIVHKCC-UNMCSNQZSA-N 498.601 2.344 10 20 JECD CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1Cl 918442850 RCRVEZBTPVTPGD-UHFFFAOYSA-N 458.946 2.163 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CCCCN3S(C)(=O)=O)c2C)cc1 919243322 PXDKRYFVGKYBLF-FQEVSTJZSA-N 476.551 2.421 10 20 JECD CCC(=O)N1CCC[C@H](C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 919453016 FVADOLPGJZUOGZ-LMMKCTJWSA-N 463.550 2.247 10 20 JECD COc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919800431 STEVIJRDQIKKOW-UHFFFAOYSA-N 482.491 2.345 10 20 JECD COC(=O)/C=C\c1ccc(N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 931374197 KJBYTIFTOAQWQQ-YWEYNIOJSA-N 490.494 2.419 10 20 JECD O=C(Cc1cccc(OC(F)(F)F)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783010446 DXTAHFMAOZEZBD-OAQYLSRUSA-N 481.427 2.078 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3cccnn3c1)C2 1783221618 HVVYBNDWWCHMDM-YRHVXKOMSA-N 492.532 2.292 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)C[C@@H]21)c1cc(O)nc(O)c1 1787292333 RVPAMYJRMIPUPR-JVPBZIDWSA-N 471.941 2.471 10 20 JECD O=C1CC[C@@H](C(=O)NC2(c3ccc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)cc3)CCC2)CN1 1788671079 IYNVNKVZTJVYMP-QGZVFWFLSA-N 473.533 2.440 10 20 JECD CC(C)(C)OC(=O)N[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2)C1CC1 1793213234 MBERNHIPDXBHRK-MHORFTMASA-N 474.558 2.438 10 20 JECD O=C(CCc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1795125546 KRQAONRXKHBWNI-UYQWPXLASA-N 452.507 2.039 10 20 JECD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c(F)c1 1799769165 PSZBTEZAXJONER-DBWKPXFBSA-N 464.877 2.416 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(Cl)cnc1O 1802329764 FESUKLPYBMQMOG-BFUOFWGJSA-N 469.885 2.275 10 20 JECD Cc1noc(C)c1CC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804244286 KALXHQAXZHHYNT-OPAMFIHVSA-N 451.483 2.055 10 20 JECD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1804290745 KEFKVDBJVSDZIA-RDSHKEJNSA-N 460.531 2.048 10 20 JECD CN(C)C(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)c1 1804291011 BGSMKTPALPYKHQ-LDEDEHCMSA-N 479.533 2.470 10 20 JECD CC(C)NCCC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1807322994 GGMXWFGGMUXZJV-CPJSRVTESA-N 476.581 2.268 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccn(C(F)F)n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995220 NDQYIIKINPPLRT-SCLBCKFNSA-N 458.425 2.113 10 20 JECD Cc1ncc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)s1 1807997808 DRLHFKVZDCEPFK-BTYIYWSLSA-N 453.524 2.215 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1ccncc1O 1810663167 XKRMHLLCKVYJHG-MHECFPHRSA-N 484.516 2.295 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccncc1Cl 1810738438 JDVGKDBBXABJEI-LIRRHRJNSA-N 490.010 2.310 10 20 JECD C[C@](O)(CC(=O)O)CC(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1813068532 OORHDTHKFIDPCO-ODMCQALKSA-N 491.928 2.082 10 20 JECD CC[C@H](C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162358 RITDTWINWNRHKA-KSSZOTGVSA-N 469.538 2.325 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CCc2cnccn2)[C@H]1c1cccnc1 1814166693 TUFOCCXANOWTEI-OICLXJGOSA-N 489.532 2.340 10 20 JECD CC[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)N(CC)CC 1828239708 DBPOVSODTROPCE-OCCSQVGLSA-N 483.685 2.036 10 20 JECD CN(C)c1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc1 1828247519 VXKISLFVPVKWRW-CYBMUJFWSA-N 489.648 2.295 10 20 JECD CS(=O)(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830741381 WDOKJFGHXIBWAQ-KRWDZBQOSA-N 472.991 2.419 10 20 JECD Cc1nccnc1C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838497313 BENGGYXQWYCARS-HWKANZROSA-N 482.537 2.227 10 20 JECD CO[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)c1ccccc1 1839431677 HMBLVZYTOJUTBK-XUZZJYLKSA-N 490.940 2.209 10 20 JECD O=C(/C=C/C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)NCc1ccccc1 1841329270 SUYSYXVNWSKDRR-BQYQJAHWSA-N 469.925 2.441 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)Cn2ccc3sccc3c2=O)C1 1842019989 VZWKDRQJAVTRLL-UHFFFAOYSA-N 489.557 2.059 10 20 JECD CC(C)(C)OC(=O)Nc1ncc(CC(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)s1 1843251317 SVMVZWLNKOPDRI-UHFFFAOYSA-N 489.554 2.356 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2cnoc2)C1 1843473106 PMZKVWRGMODOPO-LJQANCHMSA-N 469.542 2.210 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccc(OC)cc3)nnc2n1 108783869 DXDREJNQXXLPSJ-INIZCTEOSA-N 499.601 2.113 10 20 JECD CC1(C(=O)OCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CCOCC1 726839926 WEEJNKFNDKJVHZ-BOPFTXTBSA-N 492.575 2.093 10 20 JECD C[C@@H](Sc1nnc(CCC(N)=O)n1C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 746242109 VLZSNRDEVFGOBL-GFCCVEGCSA-N 463.519 2.128 10 20 JECD C[C@@H]1CN(c2ccc(NC(=O)COC(=O)c3cc(NS(C)(=O)=O)ccc3O)cc2)C[C@@H](C)O1 747498623 CNKYQQYLPYQCNF-HUUCEWRRSA-N 477.539 2.173 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)CC2)cc1 747703362 SHOFLGNKAQEVSJ-UHFFFAOYSA-N 483.569 2.382 10 20 JECD C[C@H](OC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 845930715 VNTNEIISDLDLAT-SKIZLUBNSA-N 498.491 2.139 10 20 JECD O=C(COC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)NC1CCCC1 864356612 RMSKMGHDXBXKAF-UHFFFAOYSA-N 463.468 2.317 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 915837080 QXOQREGKYPDVEP-UHFFFAOYSA-N 487.622 2.075 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H](C)NC(=O)c3ccoc3)cc2F)C[C@@H](C)O1 917317418 FHUAWMAZVIRRNI-BZUAXINKSA-N 461.490 2.010 10 20 JECD O=S(=O)(c1ccc(NC(=S)Nc2cccc(N3CCOCC3)c2)cc1)N1CCOCC1 917597126 DTAHQUQRKIAGMN-UHFFFAOYSA-N 462.597 2.353 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)C1 917833209 NFKWGEYMHKRVSA-LEWJYISDSA-N 484.622 2.105 10 20 JECD CN1CCN(C(=O)c2ccccc2NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 918031184 VZJAMSGCIINVMT-HXUWFJFHSA-N 478.597 2.098 10 20 JECD COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1S(=O)(=O)N1CCCCC1 919810414 SNLVNKGCPVACPV-UHFFFAOYSA-N 483.568 2.199 10 20 JECD Cc1ncsc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778126298 PYXXVRWHNRXYEF-NTKDMRAZSA-N 481.578 2.372 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1779445356 DMRJVZQROVIVFB-HSZRJFAPSA-N 485.903 2.111 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)cc1 1785107196 VLGWNKBDOFHMPS-QHCPKHFHSA-N 473.913 2.467 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(F)CCCC=C1F)CCO2 1785511842 VTBHNXJWSBPXEU-RNAPPNBMSA-N 464.465 2.392 10 20 JECD Cc1oc2cc(O)ccc2c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1787971482 IZPDFKFBXFCSEY-IXDGSTSKSA-N 467.478 2.160 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c(C)c1 1792217668 GTJLZFJFFFELJB-OWNFZTQPSA-N 482.533 2.427 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc4ncccc34)C[C@@H]21 1792218079 PINDZONTCHWFII-IWSQUXHHSA-N 490.516 2.053 10 20 JECD COc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cn1 1794157086 QYMOORNXYNCWLQ-NUZGMZIFSA-N 475.549 2.454 10 20 JECD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)s1 1796480762 STZWDVQOSYOZSD-MRSFGVLCSA-N 480.590 2.372 10 20 JECD COc1cc(CCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccn1 1807993891 PTAMJPHBLIHSJW-KOSHJBKYSA-N 477.521 2.244 10 20 JECD O=C(NC[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3N2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001584 URBRGXMSRYKTFC-MONBJTKQSA-N 459.506 2.244 10 20 JECD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811809725 OYZZMMLRRZMAIB-IUZBSBKLSA-N 491.928 2.082 10 20 JECD COc1nccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1F 1816722601 QIXADDXRDIUGCZ-SNVBAGLBSA-N 459.459 2.032 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccccc1-n1nccn1)CC2)c1cc(O)nc(O)c1 1816730019 YXMAVBYZRHAMMR-ZDUSSCGKSA-N 477.506 2.070 10 20 JECD CCOC(=O)O[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361853 IWNRVALJUAUQJG-ZIAGYGMSSA-N 499.549 2.410 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1nnsc1C1CC1 1818308488 SGPMHGPJJJEKPU-LBPRGKRZSA-N 491.624 2.305 10 20 JECD CC(=O)O[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2)C(C)C 1819491434 FEHTWHFZEOCYJG-LWWHXUDUSA-N 489.550 2.473 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2F)[nH]n1 1823498835 WLAKDIBKWRMMKU-CQSZACIVSA-N 462.532 2.110 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2ON=C(c3ccccc3)O2)CC1 1828817699 URRPFYGUCOXYBN-DFBJGRDBSA-N 480.521 2.461 10 20 JECD CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCN2C(=O)OCc1ccccc1 1829037337 CSAUNCQKXSXUKG-RUZDIDTESA-N 482.537 2.359 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)[C@@H]1CC1(F)F 1835449008 LEXNABKLPRRLFJ-IBGZPJMESA-N 473.524 2.006 10 20 JECD O=C(Cc1ccc2c(c1)CCCO2)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1835484230 SVEWBVGVVLRFMJ-UHFFFAOYSA-N 494.592 2.246 10 20 JECD CCCCC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881334 PLPXWLKIOUQAAV-NUQWRYRGSA-N 476.570 2.489 10 20 JECD Cc1ccc(C)c(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1840881392 RXRIMXIFWDFZML-WZSLKZGSSA-N 496.560 2.133 10 20 JECD CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1 1840881393 SDGQDEDXTNMBSA-QQOLHMHLSA-N 482.533 2.149 10 20 JECD N[C@@H](C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccc(Cl)c1 1842941928 LBTBNKWSABNSLI-ZLQZBKBYSA-N 457.914 2.373 10 20 JECD Cc1ccc2cc(C(=O)N3CCCC34CN(C(=O)CN3C(=O)CSC3=S)C4)ccc2n1 1843753090 KNIGQWVTYGUTRX-UHFFFAOYSA-N 454.577 2.221 10 20 JECD COc1ccc(N2CCCN(C(=O)CCNS(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1 108578821 TVKDBEPQOVQUSP-UHFFFAOYSA-N 459.568 2.305 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1cc(C(F)(F)F)cnc1O 726290661 VOOUSSJKBVFVAZ-UHFFFAOYSA-N 452.433 2.270 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1C 726766524 CXWQZWKLIJWBTA-UHFFFAOYSA-N 473.598 2.097 10 20 JECD COc1ccc(Br)cc1/C=C1\SC(=S)N(CCNS(C)(=O)=O)C1=O 727177238 DSYUXGMUQSCIRP-WQLSENKSSA-N 451.389 2.208 10 20 JECD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 728206989 DKAWOJOXVPNQSO-LJQANCHMSA-N 477.656 2.297 10 20 JECD Cc1cc(C(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)c(C)n1-c1ccc(Br)cc1 748429256 QKVDBXWMBLYZTG-UHFFFAOYSA-N 495.355 2.127 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 913638338 IMKCKGZALSVPLX-UHFFFAOYSA-N 452.555 2.337 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CSc3nnc(C(C)(C)C)n3N)cc2F)C[C@@H](C)O1 917175843 SXBAVQGHQBBDKE-ZIAGYGMSSA-N 450.584 2.451 10 20 JECD COc1ccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(OC)c1OC 918014713 OLJGTSZDJAETCT-GOSISDBHSA-N 456.543 2.414 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cccc(CN4CCOCC4)c3)cc2)C1 918123641 ZTFWHONNQVZMJJ-HSZRJFAPSA-N 465.598 2.220 10 20 JECD Cn1ccnc1[C@](O)(CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F 918205066 GDKIVRWLHKDCGL-LJQANCHMSA-N 459.444 2.035 10 20 JECD C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 918221287 UJZVFWJMLBTXHI-LJQANCHMSA-N 475.609 2.015 10 20 JECD CCC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 919477670 IFMYBHIUUCKLAX-LLGFUMIMSA-N 463.550 2.390 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3c[nH]n4c3nc(=O)c3ccccc34)CC2)cc1 919694497 RSTCSKGEZYKOQK-UHFFFAOYSA-N 460.538 2.127 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 920636684 WOTSPVDFPIRTJE-QGZVFWFLSA-N 476.507 2.055 10 20 JECD O=C(NCc1cccc(OCCN2CCOCC2)c1)NCc1ccc(N2CCOCC2)c(F)c1 920838952 XUZGZVLYABNVPJ-UHFFFAOYSA-N 472.561 2.373 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C13CC(C(F)(F)F)(C1)C3)C2)c1cc(O)nc(O)c1 1777849727 ZNFFSFKSBPZRBM-VMVSDCNISA-N 469.460 2.353 10 20 JECD CSc1cccc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1O 1780154547 KEQYWYRMFMXVDY-YFTVHVBSSA-N 486.546 2.388 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc(Br)c3F)C2)C1 1781564596 OSSQLJYSOGTOHG-HXUWFJFHSA-N 480.290 2.152 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1Cc2ccccc2N1 1781590837 QXGLQKVOSNPKPM-YRRMVEBPSA-N 493.560 2.367 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007225 NARKJHGBZMEQHG-XMMPIXPASA-N 487.940 2.224 10 20 JECD O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783718410 FTADMSIOGXMNAD-BIWRPXHWSA-N 463.412 2.067 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)[C@@H]1C[C@H]1c1ccc(F)cc1 1783884275 KPPGNWXAKKOQFO-ZQOVORKSSA-N 455.486 2.029 10 20 JECD COc1cc(F)ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1791886098 PPHBPZGTUDFAPG-GRWTVWFQSA-N 494.523 2.221 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792217625 BWQPBROLUAXTAO-IVEVCXFLSA-N 482.533 2.264 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC1CCCC1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480916 DFXRFFYCXFRJRH-NHKMSHSESA-N 452.555 2.339 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccn2cncc2c1)C1=NN(c2ccccc2)C(=O)C1 1798167739 UVQOTGDQRDEMBA-FNLKRUPLSA-N 456.506 2.379 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnc3[nH]ccc3c1)C2)c1cc(O)c(O)c(Cl)c1 1799768439 ZLFHKUNQSWZLPR-UPHUGPLXSA-N 484.940 2.464 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1 1799865584 ZAQDGJXOEJOBPR-VPTLXERWSA-N 497.939 2.157 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1cccc(=O)n1O 1804951781 KCVMNLHSBBYPAE-VBKZILBWSA-N 484.896 2.179 10 20 JECD CCn1nccc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1805911629 FQFWDLVSTAKQNY-YADARESESA-N 485.548 2.411 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992618 PHSFDHBEQANIHQ-GAJHUEQPSA-N 477.477 2.358 10 20 JECD O=C(CC12CCCN1CCC2)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1808034993 BAFZGZBHMMVNKZ-MBSDFSHPSA-N 465.554 2.226 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(O)cc([N+](=O)[O-])c1 1811678158 DQDWLULYJMRLGQ-LHSJRXKWSA-N 479.449 2.135 10 20 JECD COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)cc1 1813956457 ZOJFNIRPGNCFIF-CQSZACIVSA-N 454.508 2.426 10 20 JECD Cc1cc(CCC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)ccn1 1814185567 SMSRJJMPRPUQPU-AUSIDOKSSA-N 497.646 2.284 10 20 JECD CN1CCCC[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361737 DAGMWCPLJAJICP-KXBFYZLASA-N 480.594 2.332 10 20 JECD CC(=O)N[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)C(C)(C)C 1817843420 NAMHRZWXVVEUEB-DNVCBOLYSA-N 458.519 2.073 10 20 JECD Cn1c(=O)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)nc2ccccc21 1818662308 JWJNJTICLYPWOW-KRWDZBQOSA-N 489.492 2.083 10 20 JECD Cc1n[nH]cc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1821526123 HSASYLOADNXNQZ-CYBMUJFWSA-N 463.523 2.193 10 20 JECD Cn1nc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)c2c1CCC2 1828268519 DKJJNFBKGCXGEI-SFHVURJKSA-N 453.543 2.262 10 20 JECD O=C(Cc1ccc2ncccc2c1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833617289 AVEAJFRHASRNGS-UHFFFAOYSA-N 489.576 2.469 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cccs1)CCO2 1835969739 UDSPZKIPZZIDBN-VIGSUJRPSA-N 486.546 2.048 10 20 JECD O=C(CCN1CCOCC1)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837816740 QCJRBPVZJUDOIU-UHFFFAOYSA-N 496.004 2.086 10 20 JECD O=C(CCCn1cccc1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031649 ABAGCMFPTSLFJY-UHFFFAOYSA-N 456.543 2.387 10 20 JECD COc1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433254 BRDBNKXTAJQXBN-QHCPKHFHSA-N 476.913 2.144 10 20 JECD CC(C)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CCC1 1840881958 XBHANXGJXQJVME-SXBBHYFQSA-N 474.554 2.099 10 20 JECD CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1841922445 RIOPKCQEIUHKPE-WGDYAQENSA-N 499.564 2.489 10 20 JECD Cc1nn(CCO)c2ncc(C(=O)OCC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc12 749407457 HHSIVTZDMFDBBN-UHFFFAOYSA-N 484.468 2.303 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC[C@@H](C(=O)NCC4CC4)C3)cc2F)C[C@@H](C)O1 917060064 LSQXBGFSDQTYEI-DBXWQHBBSA-N 460.594 2.294 10 20 JECD COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 917930496 SPJMQSYKUWKLDS-MRXNPFEDSA-N 465.959 2.307 10 20 JECD CCS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918286291 GUNUJRBGAYXNQR-HZPDHXFCSA-N 477.558 2.488 10 20 JECD COc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OCC(N)=O 918309049 SXUDQAIVNUISIU-UHFFFAOYSA-N 454.527 2.147 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 918440430 RHIJXOMZCNNLOK-UHFFFAOYSA-N 492.598 2.174 10 20 JECD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)C2)cc1 919754430 RQEPGOVMMFHAQD-FCHUYYIVSA-N 498.649 2.414 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccccc3N3CCN(C)CC3)CC2)cc1 920254475 KDHUZFIBVOMQKK-QXMHVHEDSA-N 463.582 2.291 10 20 JECD C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)c1ccc(N2CCOCC2)cc1 920871092 KCOJRYPUASVAOW-SFHVURJKSA-N 498.609 2.177 10 20 JECD O=C(NCc1nnc2n1CCCCC2)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 935371724 IXDZWRYVQMSPJJ-UHFFFAOYSA-N 486.510 2.349 10 20 JECD CC1=CC[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)CC1 1778751086 JOWCBVGHSWKCBD-DRSNIGMVSA-N 465.641 2.107 10 20 JECD Cc1cccc(C)c1SCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1779292378 ACTGCTADALSPBI-JOCHJYFZSA-N 493.676 2.086 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1782005478 IZGVNLYYTLOOCN-JOCHJYFZSA-N 460.918 2.041 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc(F)nc1)C2 1783218709 XWPKZYVRNINEIN-XDSAKZBISA-N 499.539 2.497 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cscn1)C2 1783222356 PRYRJBQUFRDZTA-ITZOUANZSA-N 473.551 2.030 10 20 JECD CCSc1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785504945 GXJNQFUEEDDKBU-HLZSCNFSSA-N 485.562 2.467 10 20 JECD Cc1cccc(/C=C/C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)n1 1785504948 GZUWJPCGCFXXJZ-JVFRIABTSA-N 465.506 2.063 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)C1CCCCC1 1786335003 QLEYDXARGUXRJI-VCOUNFBDSA-N 452.555 2.339 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)CC(N)=O)C[C@@H]32)cc1 1790124246 GXHDQIGUKHUQPP-AAEGSUEWSA-N 466.582 2.199 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ccccn34)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245156 VRWVTVYGCMIKKV-RFUYNDQBSA-N 470.913 2.306 10 20 JECD O=C(Nc1ccc(C2(NC(=O)[C@@H](O)N3CCOCC3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790776816 VEGFXDXHWWJJNL-JOCHJYFZSA-N 475.929 2.150 10 20 JECD Cc1nc2ccccn2c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792219406 UVJGFZBGAWLDNN-AIONWGCTSA-N 492.532 2.066 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792221165 IZAVTXGZQCWAPI-MFTSGDHESA-N 481.549 2.070 10 20 JECD Cc1c(Cl)cccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792237281 FEGLMJDSOIKYQZ-QRTARXTBSA-N 482.027 2.102 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(-c2ccc(Cl)cc2)no1 1796025995 OAJWZVGURQEYDQ-USGNIVHTSA-N 484.896 2.318 10 20 JECD CC(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796933190 YJTPHELNJSWDGU-KOAHVWLRSA-N 489.532 2.188 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cnccc1Cl 1797998011 PMLBAHRPZGJEQF-DPIQGUFMSA-N 452.294 2.317 10 20 JECD COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1804283224 NZMPCDWGTFPPLN-YABKFQJWSA-N 458.511 2.044 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807998764 FONBPJOWWAZSTB-CECAUBDESA-N 455.559 2.185 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc(-n3cncn3)c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999148 HSVHEBUAESIYJN-WZONZLPQSA-N 485.504 2.102 10 20 JECD C[C@@H](O)C(=O)N1CCC2(CCCN(C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)CC1 1810801084 POGRUYYNAIPNLW-WIYYLYMNSA-N 488.629 2.317 10 20 JECD O=C(NC[C@H]1CCN(C(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810858 XCORJSDGFGRERJ-SZNDQCEHSA-N 499.911 2.040 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)[C@@H]1[C@H]2COC[C@H]21 1813659359 KJFWNUIMTXJERQ-BWCMQUJESA-N 457.914 2.358 10 20 JECD CC(C)(C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162884 XSTLUUIFPKFVNK-FNDOBQDHSA-N 469.538 2.325 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@H]2CCCO2)[C@@H]1c1cccnc1 1814163414 AZZIOKGFHGWDLL-JWLBMOEXSA-N 453.495 2.097 10 20 JECD Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1O 1814190361 YHHLTKWSDIZRAS-UTKZUKDTSA-N 484.603 2.276 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146418 HGRAONPYHMORBE-MRXNPFEDSA-N 491.468 2.140 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc2nonc2c1 1818552789 CLFZEMADVGDORP-HNNXBMFYSA-N 485.551 2.112 10 20 JECD O=C1Cc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CN4C(=O)CSC4=S)[nH]n3)c2N1 1821516834 FHCVFUOCNOCXBY-HNNXBMFYSA-N 498.590 2.071 10 20 JECD CC(C)N1CCC[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1823024910 LHSJSNUOYPWLDS-HOTGVXAUSA-N 478.644 2.135 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccn2)[nH]n1 1823476787 NTWBVVJBGDDVKD-YERXGYGTSA-N 450.455 2.336 10 20 JECD C[C@@H](Cn1ccnc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1826826203 QATWKJJRVJQTKJ-HOTGVXAUSA-N 491.577 2.381 10 20 JECD O=C(CCn1ccnn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1826877636 LREZKLLSYGXMTM-NSHDSACASA-N 462.919 2.115 10 20 JECD O=C(c1cn2ncccc2n1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427260 JNLCYWPPIXFBCE-SFHVURJKSA-N 450.499 2.083 10 20 JECD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)n1ccccc1=O 1828197583 BXFSZOGWOFWVGP-ZSDOXGQDSA-N 496.545 2.308 10 20 JECD CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1828841825 RAUDQEUORVRXQQ-RUZDIDTESA-N 482.537 2.359 10 20 JECD COC(=O)C1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1831456806 BMAYUSPVUOIFCC-OAQYLSRUSA-N 480.565 2.352 10 20 JECD CCc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc(C)n1 1834986869 DWSCZIZVFIQNQO-UHFFFAOYSA-N 467.570 2.258 10 20 JECD CN(C)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1838030150 CLCLPAGTPLPJGO-UHFFFAOYSA-N 468.554 2.485 10 20 JECD CN1CCC(C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)CC1 1841096602 OYMWRNOBGUIJCO-JOCHJYFZSA-N 499.656 2.250 10 20 JECD O=C(c1cc(N2CCCC2)ccn1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441783 UGOQSMUDKDRJIU-UHFFFAOYSA-N 472.549 2.292 10 20 JECD COc1ccc2[nH]cc(/C=C/C(=O)N3CC4(CCCN4C(=O)CN4C(=O)CSC4=S)C3)c2c1 1847054329 IASUIXPRYGQPBZ-ZZXKWVIFSA-N 484.603 2.253 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)C3CCN(S(C)(=O)=O)CC3)c2C)cc1 14172128 DAIDQRKXYMAYAM-UHFFFAOYSA-N 476.551 2.278 10 20 JECD Cc1nnnn1-c1cc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1F 727938715 JWWHIBHRAZFYSH-INIZCTEOSA-N 452.494 2.133 10 20 JECD CCOC(=O)c1c(NC(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)sc(C(N)=O)c1C 741733244 KVHRNQMICKTLEE-UHFFFAOYSA-N 474.583 2.239 10 20 JECD CS(=O)(=O)c1ccc(OCCCCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 742346474 NTQNZVDGGLXWMY-UHFFFAOYSA-N 494.635 2.190 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(Cl)c3-n3cccn3)CC2)cc1 743432404 LNKNGNZJNXFPAO-UHFFFAOYSA-N 482.972 2.411 10 20 JECD CN1CCCc2cc(CNC(=O)N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)ccc21 746984259 FRYXBUOMRXBXJU-UHFFFAOYSA-N 452.584 2.166 10 20 JECD CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)cc1 857453440 IOTVHCPBCBWQSZ-INIZCTEOSA-N 475.567 2.078 10 20 JECD O=C(COC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NC(=O)NC1CC1 913363866 SUKSMIYCMWOESU-QPEQYQDCSA-N 498.380 2.182 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)CC2)cc1 914586454 FTRUBLKCGQUBPS-NRFANRHFSA-N 477.561 2.429 10 20 JECD CCNC(=O)COc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 918032693 PWWRRAKREGKJPS-GOSISDBHSA-N 453.543 2.225 10 20 JECD CN(C)S(=O)(=O)c1ccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 918217008 WSLXVUYRIRMYMC-UHFFFAOYSA-N 460.600 2.145 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3c[nH]nc3-c3ccc4c(c3)OCCO4)cc2)C1 918373117 SIBLDRJLOBVWBY-GOSISDBHSA-N 461.522 2.480 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cc(C(=O)N(C)C)ccc3OC)CC2)cc1 918461397 WVRVNTUSBBWFMA-UHFFFAOYSA-N 454.527 2.083 10 20 JECD O=C(CCn1c(S)nc2ccccc2c1=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919969644 VLSXJIWOMLILAP-UHFFFAOYSA-N 456.543 2.492 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)cc1 920250065 ATQVYZDVLMFKHX-BUHFOSPRSA-N 475.549 2.337 10 20 JECD Cc1cccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785509196 OYYPXDYAAQGZPJ-UVXPNCNTSA-N 452.507 2.198 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1788539778 MNSDWXHJZLJZEA-OQZHBAMCSA-N 489.576 2.260 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c(C)n1C 1789122461 GXWMCTXHHDDPIJ-JSFTZJQYSA-N 469.538 2.065 10 20 JECD CN(C)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1 1789534399 NNEQQJFEJFKXKJ-ZCTWNQIISA-N 481.549 2.176 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCn4cncn4)[C@H]3C2)cc1 1791522260 WISHEKGOBOAUAD-XWGVYQGASA-N 476.581 2.369 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(-c3ccccc3)s1)C2)c1cc(O)nc(O)c1 1796138747 RHGANIIVEBOLFL-CWPLJXCYSA-N 466.519 2.133 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCCCC1(F)F 1797216510 ZEXNUSOHVFPOCY-LXSMFGNTSA-N 484.471 2.324 10 20 JECD Cc1ccc2[nH]cc(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=C/c3ccc(O)c(O)c3O)c2c1 1802078799 IJZMSHORVVEXDW-RLAOFKQWSA-N 491.544 2.439 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cnccc1C(F)(F)F 1804331340 BIADUYFKERYGHJ-ZSBIGDGJSA-N 472.514 2.213 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1nc[nH]c1[N+](=O)[O-] 1808372190 QLLZMIPLXVTHQZ-SJKOYZFVSA-N 486.872 2.411 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC2(CCCN(C(=O)c3ccc(=O)oc3)C2)CC1 1808860281 UNRLSCYWGKXPNR-UHFFFAOYSA-N 462.506 2.278 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCN2CCOCC2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803411 JEIPXGMGWHBNRY-HTAPYJJXSA-N 488.972 2.188 10 20 JECD COc1ccc(COCC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1813166955 NGOZQYRYKDEUSL-CLOONOSVSA-N 492.532 2.433 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cccc(O)n2)[C@@H]1c1cccnc1 1814161643 AVFDEWJBCFZHMK-JWAINBRSSA-N 476.489 2.332 10 20 JECD CC(=O)N[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)c1ccc(F)cc1 1816727061 CRCNPEHQIKCAJE-MGPUTAFESA-N 499.524 2.192 10 20 JECD C[C@H](Nc1nccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817845203 GAAACIQOWWPELU-FZMZJTMJSA-N 457.516 2.479 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823707851 DAXSIHJOLVMTAA-GXSJLCMTSA-N 466.947 2.348 10 20 JECD CC(=O)N[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)C(C)(C)C 1827424108 PERXMSIUZHYYQE-RXVVDRJESA-N 460.575 2.277 10 20 JECD O=C(Cc1ncccn1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714903 IVBDFDJMCLQCMA-QFIPXVFZSA-N 474.565 2.432 10 20 JECD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)n1cncn1 1827717633 QTSJKMZHKWCADP-XMSQKQJNSA-N 477.569 2.252 10 20 JECD O=C(c1cc2cccnn2c1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900736 XQFWDVODZCEANS-LJQANCHMSA-N 485.635 2.428 10 20 JECD O=C(C[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1833681225 VAWZQZVQIHXFTF-QHCPKHFHSA-N 495.624 2.310 10 20 JECD COc1ncccc1C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1834178251 DDQFRVYBHORPQA-FNORWQNLSA-N 496.564 2.106 10 20 JECD CCOC(=O)c1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834987062 ACSVJGYKQFHGTI-UHFFFAOYSA-N 496.564 2.169 10 20 JECD Cc1ccnc(C(=O)NC2CCN(C3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)c1 1835153690 ZAPYYZBYTFKFIC-UHFFFAOYSA-N 488.592 2.368 10 20 JECD COC(=O)c1ccccc1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O 1847647765 MXVOJDHOFFJHQU-BNLMJFGMSA-N 480.517 2.438 10 20 JECD Cc1cnc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)cn1 15179787 XMGHVUKONQCZEK-UHFFFAOYSA-N 498.561 2.253 10 20 JECD CN1CCN(C[C@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc2)CC1 727940406 IEYURZIWSVDGAC-NOZRDPDXSA-N 478.641 2.176 10 20 JECD CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc21 747017532 PWEDOTWYOGIIJA-UHFFFAOYSA-N 470.595 2.499 10 20 JECD COC(=O)c1csc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 749256451 KXGMEUBPMUWIRE-UHFFFAOYSA-N 491.570 2.269 10 20 JECD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2)cc1 817908229 BYMASQBPSCQWKX-UHFFFAOYSA-N 481.577 2.244 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cccc(CN(C)C)c3)CC2)cc1 915744085 VYIJSOGPGCQIFY-UHFFFAOYSA-N 453.587 2.024 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cn(-c2ccccc2C(F)(F)F)nn1 916676961 LZRQTAHMSMLYGQ-UHFFFAOYSA-N 479.484 2.451 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 917707573 OHOQNJWGCNXJGX-QGZVFWFLSA-N 455.486 2.103 10 20 JECD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(CC)CC)cc2)c2ccccc2O1 918429840 QARCOMCLIJDJJV-QFIPXVFZSA-N 452.555 2.469 10 20 JECD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)C2CC2)cc1 918457514 VMZVVPZZLZXSIY-UHFFFAOYSA-N 456.568 2.422 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccccc3NS(C)(=O)=O)cc2F)C[C@@H](C)O1 918951574 MZNVBNMXWWCDRR-HZPDHXFCSA-N 493.557 2.284 10 20 JECD CC[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 919794029 GBRVPCAGJZLLMX-INIZCTEOSA-N 456.518 2.446 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc3c(c1)CCC3)C2)c1cc(O)nc(O)c1 1777849072 JXFTVYSYCJYUTR-QFQXNSOFSA-N 465.550 2.352 10 20 JECD CN1CCC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1781122133 OWVARNHYPYLKIV-FCORRRHLSA-N 465.978 2.221 10 20 JECD Cc1cccc(C)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783246048 OVPVFQMXHFQSOG-UZUQRXQVSA-N 475.636 2.291 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)nc1C 1785770343 YESGVKSHBMEPMX-LEDOBFOHSA-N 475.549 2.085 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)C[C@@H]21)c1cc(O)nc(O)c1 1787292449 RERCBFGOLZMERF-SVKXURNBSA-N 473.476 2.168 10 20 JECD CCOC(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1)OCC 1790246333 YANOGXUMNWPQGO-YEWWUXTCSA-N 470.950 2.134 10 20 JECD C[C@H](Nc1nccs1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1808384790 VPKXKBWILZEQJQ-ZUEVXXBESA-N 468.539 2.165 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CC2(O)CCC2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469337 LTVMKBLLNAAAEH-CYFREDJKSA-N 475.549 2.185 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)CNc3ccc(F)cc3)C2)CC1 1809699610 FYFIYALGCFKCDS-UHFFFAOYSA-N 478.615 2.329 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810261 SFTBVXINLNFAFP-BWCMQUJESA-N 457.914 2.358 10 20 JECD CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162569 MAOLEASZJXHFGG-KSSZOTGVSA-N 468.554 2.291 10 20 JECD Cc1cccn2ncc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)c12 1816728949 OPTLSKFZJHQDLW-CYBMUJFWSA-N 464.507 2.445 10 20 JECD CC(=O)N[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)C(C)(C)C 1817843419 NAMHRZWXVVEUEB-BEFAXECRSA-N 458.519 2.073 10 20 JECD Cn1c(=O)n(C)c2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)ccc21 1818647817 AVPIYAGMEHIFKC-INIZCTEOSA-N 491.508 2.026 10 20 JECD C[C@@H](CC(N)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1824592541 NZIFRLJKKWHUSB-GUYCJALGSA-N 451.951 2.496 10 20 JECD O=C(CSc1nc[nH]n1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1826670966 JITCYWPSMAKFBA-SECBINFHSA-N 480.959 2.344 10 20 JECD CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1827982001 BIYSGHMIISVUAL-OLZOCXBDSA-N 491.570 2.478 10 20 JECD O=C(C[C@@H]1OCCc2ccccc21)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833432726 LSXIHZHDAKYRQO-QHCPKHFHSA-N 494.592 2.382 10 20 JECD Cc1ncc(C(=O)N2CCCC23CN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C3)[nH]1 1841714799 PTIOYFCSIZKBSJ-KRWDZBQOSA-N 499.568 2.082 10 20 JECD O=C(c1cc(Cl)cnc1O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843440953 USZMMOXGSDIMRV-UHFFFAOYSA-N 453.886 2.051 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCC(C(=O)N4CCC(C)CC4)CC3)CC2)cc1 729607747 WNZVDYDEXVZUDF-UHFFFAOYSA-N 471.646 2.497 10 20 JECD O=C(COC(=O)c1ccc(S(=O)(=O)CCO)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 747570962 MGKJVIAQCHIUJD-UHFFFAOYSA-N 493.493 2.024 10 20 JECD O=C(COC(=O)Cn1cnc2sccc2c1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 819074239 SOTHFHIWVSAUGH-UHFFFAOYSA-N 473.466 2.415 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 917929515 GHFGVYZCJVIDOG-AWEZNQCLSA-N 452.920 2.428 10 20 JECD Cc1cc(C(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)c(C)n1-c1ccc(OC(F)F)cc1 919130188 GWYKAAQUNDLAHK-UHFFFAOYSA-N 496.492 2.133 10 20 JECD CCOC(=O)C1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)CC1 1781625948 HINLLHTXJTXSPT-VGOFRKELSA-N 480.945 2.222 10 20 JECD Cn1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(C(F)(F)F)n1 1782007603 VEULJZYFLJUNRH-IBGZPJMESA-N 488.850 2.261 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)cc1O 1782136174 VZVNQYFREJEMOZ-QHCPKHFHSA-N 489.912 2.173 10 20 JECD COc1cccc(/C=C/C(=O)N2CC[C@]3(C2)CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)CCO3)c1 1783413313 AKRTZMRQXGANJK-GHUXWVSLSA-N 488.544 2.331 10 20 JECD Cn1cc(F)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790243346 KGFLMWRPIJUIED-MIUNTBIASA-N 451.882 2.136 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cnc(-c2ccccn2)nc1 1794261118 BBLMLWREQMDGNO-CWPLJXCYSA-N 495.923 2.120 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(=O)n2O)cc1 1794359885 KHMBAPSZCUWWSF-IRJINJETSA-N 476.533 2.010 10 20 JECD CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1803722797 GRASEXSKXWRXFX-XISBUJSRSA-N 496.564 2.080 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1803932848 VZCRXSICCFWGQA-CDXJDZJCSA-N 497.552 2.217 10 20 JECD COc1cccc2[nH]cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CN3C(=O)CSC3=S)c12 1804336013 KFYCSVVTYHLTHU-BTTYYORXSA-N 472.592 2.289 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cc(-c2ccccc2)no1 1804336123 VVKPBUXSODLOJS-MUJYYYPQSA-N 470.576 2.454 10 20 JECD Cc1cccnc1CCC(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1806919075 CRRQEQGQVKORRG-UHFFFAOYSA-N 474.652 2.414 10 20 JECD CC(C)(C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808463754 FXUSTPWMPSCHIF-OFAXGOBFSA-N 477.565 2.287 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccncn1 1808515706 BLAUPKMGAMZJJS-NWWLCNQNSA-N 461.478 2.021 10 20 JECD NC(=O)c1ncccc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811797665 HGRNFWSGZMSEPJ-JLTOFOAXSA-N 495.923 2.274 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@@H]2CNc3ccccc32)[C@@H]1c1cccnc1 1814185755 FYYJRSMOLLACQL-AQOAWAETSA-N 495.630 2.157 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)Cc2ccc(F)cc2)[C@@H]1c1cccnc1 1814185782 GDPXUDNKOSLNAR-VGOFRKELSA-N 486.594 2.330 10 20 JECD O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728205 AEYFYRJHUFUOBK-LBPRGKRZSA-N 487.469 2.465 10 20 JECD COc1ccc2[nH]cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cc(O)nc(O)c3)CC4)c2n1 1821246553 PSBPGRBRNWALPQ-NSHDSACASA-N 480.506 2.374 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCS2(=O)=O)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821294613 MLGLTRIPUYFEMH-GDBMZVCRSA-N 482.946 2.357 10 20 JECD CCc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1836359712 FLVSXHJLHPGUKD-HSZRJFAPSA-N 475.929 2.092 10 20 JECD Cc1[nH]nc(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)c1F 1837328748 DEVZRVZCCBTQPR-UHFFFAOYSA-N 496.543 2.262 10 20 JECD O=C(CCC1CCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432425 NYBBVVRIMLFQLL-JOCHJYFZSA-N 452.935 2.402 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4ccccc43)C2)C1 1840881063 AZJUWIVTLAKVAD-CFQSTXECSA-N 494.544 2.003 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2cnsn2)C1 1842225065 HHESIEWISVUEQI-QGZVFWFLSA-N 486.598 2.073 10 20 JECD Cc1nccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)n1 1843331248 BHMOFSXUJMHIRC-OAQYLSRUSA-N 494.596 2.320 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]21C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037637 VDAUMFWZDSEQGT-FSOUAWJTSA-N 499.564 2.420 10 20 JECD CN(CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)Cc1ccc(N2CCCCC2)cc1 15571636 CVZDGDLHWIELTR-PKTZIBPZSA-N 463.644 2.303 10 20 JECD CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 743432486 NIRMEXOMRBSHDQ-UHFFFAOYSA-N 495.624 2.491 10 20 JECD CS(=O)(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CC(=O)N4)n2)cc1 832332877 PCUALUDVCRUXOY-UHFFFAOYSA-N 492.560 2.295 10 20 JECD O=C(OCC(=O)N1CCCCC1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 866467453 INJPWBVYNRCVIU-UHFFFAOYSA-N 463.468 2.271 10 20 JECD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 906598519 XHWHKDGEQAQGSV-UHFFFAOYSA-N 470.595 2.070 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCCN1C(=O)c1cccs1 918643766 OSMGFCHFIDZVKW-IBGZPJMESA-N 461.609 2.294 10 20 JECD CCCCN(C)S(=O)(=O)c1ccc(NC=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc1 920980361 KIQHCUVJGPSPIN-UHFFFAOYSA-N 452.602 2.399 10 20 JECD O=C(NC1CC1)[C@H]1CCCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 1318212335 DLJGVAMVUZJEJW-IBGZPJMESA-N 481.576 2.143 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1778510889 GIIQTTCSDHEYON-JOCHJYFZSA-N 456.886 2.385 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)cc1 1781753412 LDVWRQVPNUTWED-VMAVNYORSA-N 476.577 2.372 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782001508 MTEQSVUFZWWSOQ-RCDICMHDSA-N 460.918 2.090 10 20 JECD Cc1cccn2ncc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)c12 1782008739 JLSGGNXMXZQHRI-QHCPKHFHSA-N 470.913 2.465 10 20 JECD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1785511828 VGSYAQPECNBVKC-DVMGJAEMSA-N 452.507 2.450 10 20 JECD O=C(Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1786508832 QAOPHSBRWZIPAW-RRPUWOKSSA-N 460.534 2.002 10 20 JECD CN1CCc2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C[C@@H]43)ccc21 1787999562 TZZRZYQZJOLBOC-JFFOYGLXSA-N 493.560 2.102 10 20 JECD CCOc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1O 1790236172 UKHXSNGTKHRQOE-HVYBTOTFSA-N 498.532 2.214 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799767209 BDNTZXPXDQIROZ-BAYUQKDNSA-N 485.968 2.011 10 20 JECD CN(C)c1c(F)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1F 1804336032 SDGPYBCARXKFFP-BTTYYORXSA-N 482.578 2.143 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ncccn1 1805784945 URXMPMXHBOXUQN-DNSQJKMNSA-N 461.478 2.021 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)[C@H]3CNc4ccccc43)C2)CC1 1809811601 YGBNQWNIJGYHLY-KRWDZBQOSA-N 472.636 2.287 10 20 JECD CC(=O)N(C)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815580904 DQPPXFLBNUSJJD-FQEVSTJZSA-N 479.541 2.063 10 20 JECD Cn1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)n1 1816482912 NIFPPYPYQVOWBP-IQIBNGDESA-N 452.471 2.279 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccno1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817363526 HMWAKUBKNILAPP-LBPRGKRZSA-N 450.480 2.150 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccnc3ncccc13)CC2 1828246876 HALJHEBMQQNADB-NSHDSACASA-N 498.615 2.172 10 20 JECD O=C(CCC1CCCC1)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1834370424 HUFBKTPSDROTJG-UHFFFAOYSA-N 480.700 2.389 10 20 JECD Cc1cncc(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)c1 1835132857 SQRKUUVUKSCJGR-UHFFFAOYSA-N 488.592 2.368 10 20 JECD Cn1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)c1=O 1836970841 RLRMHDADORCLRH-UHFFFAOYSA-N 489.956 2.376 10 20 JECD Cc1cccc(CC(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)c1 1837719587 PAGIKTZPHNCFMN-UHFFFAOYSA-N 489.663 2.396 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)cc1 1838109520 WNFSHDHIJMXKHD-VWLOTQADSA-N 480.521 2.172 10 20 JECD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)c(C)c1 1838902948 QXRBYZHIQUJAAZ-MHZLTWQESA-N 490.560 2.166 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839434094 NAKXBZMTAKKAED-WEBUEUPWSA-N 452.935 2.257 10 20 JECD CO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1840210239 HKFZKCUXSXJSRA-NBGIEHNGSA-N 455.555 2.199 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1843906085 VFBOYAOVCGWQJC-JKNJVXJCSA-N 487.553 2.277 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)C1 1846911079 RQMKVOUVOYEOJG-UHFFFAOYSA-N 477.583 2.292 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034281 HDWKCXJWHBLEOC-HEWZJLJBSA-N 475.542 2.181 10 20 JECD COCC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)CC1 1847798210 RPXUQZJBBBGLED-HKBOAZHASA-N 486.613 2.333 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N3CCCN(c4ccc(OC)cc4)CC3)nnc2n1 108576750 VMNJULOVJWHEKQ-UHFFFAOYSA-N 485.618 2.223 10 20 JECD CS(=O)(=O)c1ccccc1NC(=O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726726420 NFPKVHQTCYHDOY-UHFFFAOYSA-N 467.494 2.415 10 20 JECD COc1ccc(OCc2nc(/C=C3\SC(=S)N(CCNS(C)(=O)=O)C3=O)cs2)cc1 727177100 WLSYRHRQXGYLAL-DHDCSXOGSA-N 485.634 2.481 10 20 JECD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1C(N)=O 727244592 CQCUGHSDOFZXBS-UHFFFAOYSA-N 482.565 2.090 10 20 JECD COCCOc1ncccc1NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 728137947 MEPPIPKKLBVSLS-HZPDHXFCSA-N 460.506 2.114 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1 747010626 GRKUQFRJBNQODU-UHFFFAOYSA-N 493.605 2.243 10 20 JECD Cc1c(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cccc1C(=O)N1CCOCC1 747018214 XCEQQKABCQKCEO-UHFFFAOYSA-N 450.539 2.105 10 20 JECD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)cc2)CC1 857494805 ZEKUTFBVJSNFJM-UHFFFAOYSA-N 464.975 2.310 10 20 JECD Cc1cc(C(=O)COC(=O)c2cccnc2-n2cccn2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 899787830 CBJZMDRISACBPK-UHFFFAOYSA-N 479.518 2.362 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CCN(C)C(=O)C3)c2C)c1 912704479 LADPPOYVRDPXSI-MRXNPFEDSA-N 484.505 2.262 10 20 JECD CCOc1ccc(NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)cc1S(=O)(=O)N(C)C 918430291 VOZSBKSWMMSBNO-UHFFFAOYSA-N 476.599 2.437 10 20 JECD CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1OCC 918463594 LFMBLFMJNXTSAG-SFHVURJKSA-N 468.554 2.441 10 20 JECD CC(C)(C)NC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 918464444 WBOASUXNMJQIHD-IBGZPJMESA-N 479.581 2.172 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cnn2ccccc12 1778492226 CRGLHGMNOFGJEK-ZYHKADTASA-N 492.532 2.292 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cc2ccoc2cn1 1781198596 MHNUBMFKSFGKEP-WZONZLPQSA-N 452.467 2.075 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)s1 1785605489 ZPWBXWXYBJMKKW-BODLRDTPSA-N 474.535 2.180 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4cc(F)cc(F)c4)[nH]n3)C[C@@H]21)c1cc(O)nc(O)c1 1787291579 IVYZANSXVFXWHK-JTBRQZTESA-N 499.474 2.068 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cn2ccsc2n1 1788393469 KUPMQFAMALQQRN-BNLOLNQZSA-N 476.942 2.368 10 20 JECD O=C1Cc2cccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)c(O)c(Cl)c5)[C@H]4C3)c2N1 1790246304 VRTXRMAYHAXNJH-AXHNFQJDSA-N 485.924 2.153 10 20 JECD CSCC[C@@H](O)C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792316102 PGGRJGSAKRWICE-OAHLLOKOSA-N 467.638 2.095 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnc2ccccc12 1797284435 POWDIPSLKZNQHA-QDMKHBRRSA-N 454.577 2.347 10 20 JECD CSc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c1O 1799265062 LLJCGKDRILZPQM-CLLJXQQHSA-N 465.622 2.226 10 20 JECD CC(C)(C)OC(=O)CCCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1799383814 SFLXGMVYIVZRED-FEJSZKPUSA-N 491.585 2.378 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ncccc13)C2 1802079523 HDDQXIOJLWVBLL-JLMZWKBBSA-N 475.501 2.268 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(O)nc(Cl)c1 1805037495 WLXUNWSVVQAYAQ-ZUOKHONESA-N 469.885 2.275 10 20 JECD CCn1nc(C)cc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807983487 KXEOBLCEFTZGMJ-IERDGZPVSA-N 450.499 2.046 10 20 JECD CC(C)N[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)C(C)C 1807993364 IVRTZNJCPWZYTO-VOQZNFBZSA-N 455.559 2.230 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(-c3ccccn3)[nH]n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994007 CSBJVNZCQUACAY-MWTRTKDXSA-N 485.504 2.306 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(-n3ccnc3)ccn2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994626 KCUWOZFCLCSUJZ-GAJHUEQPSA-N 485.504 2.102 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1808001284 SXPKHBJASUXIPA-ZDWFVDTJSA-N 461.522 2.481 10 20 JECD Cc1cc(C)n(CCC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n1 1813305504 QDDNYCINZHSCAO-WZONZLPQSA-N 464.526 2.111 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1ccnnc1 1816386100 SDMVSWXKNGCQJA-IBGZPJMESA-N 458.482 2.299 10 20 JECD COCc1oncc1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361942 CGBJOLYTIUXIHJ-CYBMUJFWSA-N 494.533 2.296 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)c3ccc4ncnn4c3)sc2C1 1819404366 DCBQJSDUDIPDAN-VSZOKUSCSA-N 492.517 2.242 10 20 JECD O=C(c1nc2ccccn2n1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827426545 ZKWIDHRBTIMOPU-KRWDZBQOSA-N 450.499 2.083 10 20 JECD O=C(c1cc(CO)on1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716233 HCAOKJJIUASNJH-JOCHJYFZSA-N 479.537 2.193 10 20 JECD Cc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)o1 1828250476 SYMNLAODVULRMV-NSHDSACASA-N 464.594 2.060 10 20 JECD Cn1c(=O)n(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)c2ccccc21 1828387458 QLLNUVVVKKXZFH-LJQANCHMSA-N 493.564 2.080 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccoc3C1)CCO2 1830938214 WCCCJZPSKWJUOB-FYSMJZIKSA-N 490.940 2.219 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)s1)CCO2 1834059076 PYMKSUGNLCUWTH-AOQYBADCSA-N 494.953 2.302 10 20 JECD COc1cccc2[nH]cc(C(=O)N3CCC(N4CCC(NC(=O)c5cc(O)nc(O)c5)CC4)CC3)c12 1834987407 QSOWBPYCWPTFQY-UHFFFAOYSA-N 493.564 2.482 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@]3(F)CCCC=C3F)CC2)CC1)c1cc(O)nc(O)c1 1834988639 YBGWTLSJMNEAFH-HSZRJFAPSA-N 464.513 2.424 10 20 JECD Cc1c(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)cnn1C 1837544986 BCMVOKRAHYOMQK-GQCTYLIASA-N 484.553 2.171 10 20 JECD Cc1c(F)ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1N 1837906722 OHYUREGJAVVUSX-UHFFFAOYSA-N 472.517 2.449 10 20 JECD Cc1nc(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)s1 1839431781 MUYDOSYYDWWCAJ-NRFANRHFSA-N 481.958 2.208 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)[C@@H]2CCc3ccccc3[C@H]2O)C1 1841391784 HHULHRPPYKSUKJ-XYRGPISMSA-N 464.518 2.316 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CCCC34CN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)c2n1 1844668133 CWLHRIOXOOMBQE-XBXARRHUSA-N 464.478 2.219 10 20 JECD COc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1-n1nnnc1C 726722563 ZPSMRYPTXNABFJ-UHFFFAOYSA-N 462.466 2.445 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)cc2)C1 730480926 FYYZBUNKWLJIHQ-GOTSBHOMSA-N 498.649 2.247 10 20 JECD CCN1CCN(c2ccc(CNC(=O)[C@H](Cc3cccc(OC)c3)n3nnnc3C)cc2F)CC1 730496956 BIZUBGOWVKXODO-DEOSSOPVSA-N 481.576 2.371 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NC[C@@H](C)N3CCN(c4ccccc4)CC3)CC2)cc1 742939951 NHIXAWMWJGEQNK-HSZRJFAPSA-N 480.657 2.327 10 20 JECD Cc1cc(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(C(C)C)cc1 863951177 KSFGXWTYUYCSIV-SFHVURJKSA-N 475.567 2.387 10 20 JECD CC(=O)N1CCC(NC(=O)COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 913360382 JPASXGAALNOARI-SFQUDFHCSA-N 495.648 2.400 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 915797733 OGHDDFYFXZONLS-UHFFFAOYSA-N 491.585 2.073 10 20 JECD CC(C)N(CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)Cc1ccc(N(C)C)cc1 917074614 CPMRQKMHFBIAIV-VXKWHMMOSA-N 451.633 2.158 10 20 JECD CCCC(=O)N1CCC[C@H]1C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917991803 UTGSMHPDQDIBSP-FVJLSDCUSA-N 463.550 2.390 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 918340487 PTJUAEDBXSDSJE-UHFFFAOYSA-N 468.535 2.013 10 20 JECD O=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919761897 SLDWWWFIQHPVQU-UHFFFAOYSA-N 488.523 2.245 10 20 JECD CN(C)c1ccc(CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 920052197 YSPDXKOLIPKQDF-UHFFFAOYSA-N 461.544 2.313 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)Nc2cccc(I)c2)c1 920635513 HCKABSGUFBTICF-UHFFFAOYSA-N 490.275 2.164 10 20 JECD Cc1cc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(Br)c1 1317945543 SREXQZYNQYOUCF-HNNXBMFYSA-N 469.357 2.317 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008108 VSNDLSWPKDVELW-RCDICMHDSA-N 461.902 2.057 10 20 JECD COc1ncc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)cc1C 1783219933 JNSLDJJDJNNLDW-NLNATVMFSA-N 497.548 2.356 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cnccn2)cc1 1793137514 OESUBRQFZCEPQP-GQEURGSBSA-N 459.550 2.330 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn[nH]c1 1797039317 QVFILWDSSJKEMG-FCGDIQPGSA-N 499.568 2.209 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(Cl)c(Br)c1 1799563230 JHCFTQSUMIITEX-IVWMJMPLSA-N 496.745 2.426 10 20 JECD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c(C)c1 1799770363 QJGYYMHRZFOUSM-CWPLJXCYSA-N 488.924 2.363 10 20 JECD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)on1 1804260013 CEOWHPOZSMUWGI-WZMUZEJKSA-N 478.505 2.457 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)on1 1805708678 PNIDRBVJYBKSCM-MBSDFSHPSA-N 472.505 2.491 10 20 JECD Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1806667010 NKCBJWYIIFDSAQ-JPYJTQIMSA-N 498.630 2.335 10 20 JECD O=C(COCc1ccccc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1806880951 QISKCIRWWKHPAJ-AUSIDOKSSA-N 498.630 2.165 10 20 JECD COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1O 1807991249 GCYXPEBWSUCNTL-XDHUDOTRSA-N 478.505 2.164 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1 1810575518 KFEWHIGFIILYKR-UHFFFAOYSA-N 471.608 2.268 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccccc1-n1nccn1 1811470241 NLKYMQWLJQGGKP-HXOBKFHXSA-N 485.504 2.102 10 20 JECD COc1cccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1811843384 DITYMMYDISJFJP-UWJYYQICSA-N 484.603 2.270 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)[C@H]1CCCOC1 1814161558 HWHMCFIJBIXGDL-TZWPEZGDSA-N 467.522 2.344 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cc(C(F)F)no2)[C@H]1c1cccnc1 1814189040 JYMSYCDLDKSSLF-PXAZEXFGSA-N 495.533 2.187 10 20 JECD COc1ccccc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814190391 ZEAVZSXMHUYJHN-HRAATJIYSA-N 484.603 2.270 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1ccc(O)nn1 1816296802 MHLGNFUVRWJAOS-SFHVURJKSA-N 474.481 2.004 10 20 JECD COCC1(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)CC1 1817363024 FMBGFIQREAWITJ-AWEZNQCLSA-N 467.551 2.275 10 20 JECD C[C@H](Cn1ccnc1)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817366995 MNWQIFWCJWKMIU-CVEARBPZSA-N 491.577 2.381 10 20 JECD CS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)c1 1817842587 HYRPGRWSEUCBST-QGZVFWFLSA-N 485.522 2.239 10 20 JECD CN1CCN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CC1 1818914134 GEEXVFQXPQFALI-KRWDZBQOSA-N 476.965 2.028 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(F)(F)Cl)n[nH]1 1822571993 JBGWMNYWTPCAJV-SECBINFHSA-N 451.908 2.094 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@@H]1CCCSC1 1823458784 NBLPYHFPLOFHOK-TZMCWYRMSA-N 467.642 2.405 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cnn4c3CCC4)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1824046693 OMDVTOHPLHIJGA-CQSZACIVSA-N 489.561 2.305 10 20 JECD C[C@](O)(CC(=O)O)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717442 HXDBZVBTKQRWAG-HFZDXXHNSA-N 498.580 2.015 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cnn3ccccc23)CC1 1828075815 SSWTWTAKQMYWTR-GOSISDBHSA-N 485.635 2.428 10 20 JECD Cc1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898253 IDMQNJVCDWWQTF-GOSISDBHSA-N 460.625 2.484 10 20 JECD O=C([C@H]1CCC=CO1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902766 UOHMXJJRANJODI-DLBZAZTESA-N 451.614 2.159 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1cncc(F)c1 1834257960 WARRZRSBJOVFDT-DUXPYHPUSA-N 484.528 2.236 10 20 JECD N[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cccc(Cl)c1 1837879152 QNEMDGBPODATJZ-QFIPXVFZSA-N 488.972 2.458 10 20 JECD Cc1nnc(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)o1 1837939436 GXEXJPIICLGBFO-UHFFFAOYSA-N 478.933 2.298 10 20 JECD COc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1N(C)C 1838030321 NKLPMJBOWLWHQH-UHFFFAOYSA-N 498.580 2.493 10 20 JECD Cc1nn(C)cc1C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1841717657 OFXKCJLUQATICZ-OAQYLSRUSA-N 496.612 2.264 10 20 JECD CS(=O)(=O)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)c1 1845500363 UHUKJZHQIUBBQK-UHFFFAOYSA-N 464.927 2.286 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)C(C)(C)C 1847526855 AVMTXMWGSDBNBU-IVAOSVALSA-N 488.629 2.313 10 20 JECD CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc(O)c(O)c2O)C[C@@H]2C[C@@H]21 1847572663 PNOUYJMOJQQPGF-KWFFECPFSA-N 499.564 2.416 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCCN3C(=O)Cc4ccccc43)CC2)cc1 725876171 ZRLWTWIDBRYRGQ-UHFFFAOYSA-N 451.571 2.096 10 20 JECD CS(=O)(=O)Cc1c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)oc2ccccc12 726526842 UHQJWDYTRUGHPF-UHFFFAOYSA-N 476.576 2.142 10 20 JECD CC[C@H]1Nc2ccc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2NC1=O 729717500 ZNXXYYQKNJGVCD-GOSISDBHSA-N 470.501 2.278 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1F 731409528 VJBVWTDGRLYQIB-UHFFFAOYSA-N 476.574 2.128 10 20 JECD O=C(COC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 914975764 WLXIELYARIMPHW-GFCCVEGCSA-N 474.391 2.355 10 20 JECD COc1cc(N2C[C@H](C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2=O)cc(OC)c1OC 917709460 XUEVDOXMRWTDAK-QGZVFWFLSA-N 487.528 2.357 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(OC)c(OC)c(C(=O)O)c2)cc1C 917758386 UGQRRINMKQRYJF-UHFFFAOYSA-N 458.514 2.273 10 20 JECD O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)NCc1ccc(N2CCOCC2)c(F)c1 918203626 DTJXFJMUAZYDGH-UHFFFAOYSA-N 470.954 2.093 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2F)C[C@H](C)O1 918287353 QEZPTIKDGYKPLX-GJZGRUSLSA-N 463.531 2.098 10 20 JECD CC(=O)Nc1nc(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cs1 919090159 KHMVHVGCNDQZAJ-BETUJISGSA-N 464.519 2.327 10 20 JECD CC(C)CN1CCO[C@H](CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919782466 KOKKTYHQFKFPAK-OAQYLSRUSA-N 485.608 2.098 10 20 JECD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 920872898 XMSBXDHJIQOWJU-LJQANCHMSA-N 489.617 2.401 10 20 JECD COCCN1C(=O)/C(=C\Nc2ccccc2C(=O)Nc2ccc(OC)cc2OC)C(=O)NC1=S 920978703 FSHGWSDOXYGNEV-SSZFMOIBSA-N 484.534 2.142 10 20 JECD Cc1ccc(COCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1C 1777848121 JVFJIZFHKJWMJR-QFQXNSOFSA-N 483.565 2.454 10 20 JECD CN(C)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1780644542 KCMBIHULSRTMAW-CFSVISAESA-N 467.522 2.026 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3nncn3c1)C2)c1cc(O)c(O)c(Cl)c1 1781122687 ASMHCJPSHFLVFZ-WZONZLPQSA-N 485.928 2.235 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1782004472 WHTBNPSTQULFBO-AUSIDOKSSA-N 474.897 2.035 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cc(Cl)cnc1O 1783403832 SDZSMZZNBOTBGK-NCHVAJSOSA-N 482.320 2.412 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)C1(c3ccc(O)cc3)CC1)CCO2 1785503927 UNOZESICIAFDGI-SFOUQWOSSA-N 480.517 2.084 10 20 JECD Cc1ccc2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)ccc2c1 1787291851 HUWZKRWVBDIBKP-MDKPJZGXSA-N 462.506 2.257 10 20 JECD CN(C)[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc(Cl)cc1 1790674094 YOSDNQHOHFYLFK-BCSOYYNPSA-N 488.972 2.042 10 20 JECD CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C[C@@H]21 1790867806 DNTFRNZPYMMDKJ-OPEMAFOOSA-N 466.582 2.212 10 20 JECD COc1cccc(Cl)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796482547 HUOVOFALWSQHMT-RSQQPWMTSA-N 496.951 2.345 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CCCO3)C2)C1=NN(c2ccccc2)C(=O)C1 1796482667 MQNJREVQLLWZOL-NXKWYNOOSA-N 488.544 2.008 10 20 JECD CC(C)(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cn1 1802078044 YGMJHSYFMXSSKU-XFPJJLEJSA-N 481.549 2.413 10 20 JECD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1F 1802079073 RMYOKNPIQOZATR-USZHEJOJSA-N 484.524 2.487 10 20 JECD C[C@](O)(C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)C(F)(F)F 1803999927 YUMGBGMQDUJNEV-BSBQXMDQSA-N 495.454 2.231 10 20 JECD Cc1occc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1805621251 KJNHTPRCYCQHOV-DNVCBOLYSA-N 458.565 2.163 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cocn1 1806024503 MFJQPLLACRMVRG-CVTZPFNJSA-N 450.451 2.219 10 20 JECD O=C(CC(=O)Nc1ccc(F)cc1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807224693 KFKFKSMCWSLUNT-GYCJOSAFSA-N 493.495 2.375 10 20 JECD Cn1ncc(C(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)c1C(F)(F)F 1807398448 NPJWUSBHMXVDCR-UHFFFAOYSA-N 467.448 2.404 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3cncn3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995217 FCRPPFFIIKVDCK-OPAMFIHVSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3nccnc3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995281 FZHFGYYHGFLRQO-SBUREZEXSA-N 470.489 2.464 10 20 JECD CCOCCC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813535660 KBULJBXYYAHAFK-NTKDMRAZSA-N 463.538 2.307 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)[nH]n1)c1cc(O)nc(O)c1 1817842506 CUOVMRMWUJAJGZ-QAPCUYQASA-N 482.541 2.313 10 20 JECD CC(C)(C)n1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)nn1 1817847650 QGEIOJDAYKATSO-OAHLLOKOSA-N 454.491 2.182 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1[nH]cc2c1CCC2 1820107130 BAGKLRBBYHHMOZ-HNNXBMFYSA-N 472.596 2.393 10 20 JECD C[C@@H]1CCc2c(C(=O)N[C@H]3CCc4nc(NC(=O)CN5C(=O)CSC5=S)sc4C3)n[nH]c21 1828244841 SSEPOJPCDBWZSQ-ZJUUUORDSA-N 490.636 2.002 10 20 JECD C[C@@H](Cn1cncn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1829053387 VXSXJLUTJRZHHX-WMZHIEFXSA-N 491.596 2.327 10 20 JECD O=C(CSC1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432764 ZXQINUDJJKLCQO-JOCHJYFZSA-N 485.002 2.497 10 20 JECD COc1cc(F)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840641458 HIQPOVWLNDCUCW-QHCPKHFHSA-N 494.903 2.283 10 20 JECD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1)c1ccccc1 1840891225 GDQNZIOGBPWAJN-DCFHFQCYSA-N 490.560 2.039 10 20 JECD Cc1nn2cc(CC(=O)N3CCCC34CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)nc2s1 1841787371 CWMRGIUGWYRFPE-UHFFFAOYSA-N 461.931 2.224 10 20 JECD Cc1cc(CC(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)n[nH]1 1843331243 AURJXHMIUAEFLD-OAQYLSRUSA-N 496.612 2.182 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc3cc[nH]c3cc2Cl)C1 1843790210 DEMHLIRYYWMXIR-UHFFFAOYSA-N 462.984 2.499 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(c2ccccc2)C(=O)C1 1848065267 GQAFPOFOJCFLTH-KMDXXIMOSA-N 471.561 2.038 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cc2cccc(Cl)n2)=NN1c1ccccc1 1848261900 KKFLOYFRUMTILK-OALUTQOASA-N 451.914 2.272 10 20 JECD O=C(COC(=O)c1ccoc1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 25631214 AACADZFPEIQOTM-LZYBPNLTSA-N 460.489 2.183 10 20 JECD Cn1c(Cl)cnc1CNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 726622578 NAPFQNPSYGQQJK-UHFFFAOYSA-N 465.875 2.418 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1 729062619 SUCOPGFEJQGNHN-OWCLPIDISA-N 455.511 2.466 10 20 JECD COc1ccc(N2CCN(CCCNC(=S)Nc3cccc(S(=O)(=O)N(C)C)c3)CC2)cc1 747765835 FJFSZGDHOCPMDW-UHFFFAOYSA-N 491.683 2.444 10 20 JECD Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)c2C)c1 914654577 NSKZAJZUINSCIY-WOJBJXKFSA-N 486.590 2.472 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(Cc4csc(C)n4)CC3)CC2)cc1 916197714 ZTLUIQCCQAFIGQ-UHFFFAOYSA-N 472.659 2.500 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3cccs3)cc2F)C[C@@H](C)O1 918870250 ACNKFFPFKFQIEP-HUUCEWRRSA-N 463.531 2.090 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccn(-c4cc(C)ccc4OC)n3)nc12 920910817 JYGCNDICHNXVBC-UHFFFAOYSA-N 451.439 2.471 10 20 JECD COCCN1C(=O)/C(=C/Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)C(=O)NC1=S 920979849 KDQXTHXCEIORSC-NTCAYCPXSA-N 492.554 2.120 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3cc(Cl)ccn3)cc2F)C[C@H](C)O1 1321913723 WIBIHFJIAGJCKQ-GJZGRUSLSA-N 492.935 2.077 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777851249 WYZTZFUIWNOJMD-LSRZYVKLSA-N 455.511 2.088 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4cc(Cl)ccc34)C2)C1 1778665114 JZSSIJSCUZHZCF-NCWHABTQSA-N 498.923 2.490 10 20 JECD COc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)ccc1O 1780445061 MUOBYNCQAYMUEM-KJMHIALPSA-N 498.532 2.359 10 20 JECD Cc1nccn1[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1782627296 AEUSLZZYNBBZRH-NDKUEENFSA-N 492.580 2.059 10 20 JECD O=C(CCOc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1786413273 XPLRRXPRGRCKKP-ZCTWNQIISA-N 482.533 2.265 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Br)cs3)C[C@@H]21)c1cc(O)nc(O)c1 1787292367 WHNDMGUEMPUEIX-BPNCWPANSA-N 482.356 2.224 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4nscc34)C[C@@H]21)c1cc(O)nc(O)c1 1787294147 DKDNPRCMAQGCDF-QITLCBANSA-N 454.508 2.010 10 20 JECD Cc1nc[nH]c1CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1788538049 DKHZPGCDFNXMQT-RFUYNDQBSA-N 495.001 2.309 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc(-c2cccnc2)cc1 1789984670 CGLITRPPRCHEPU-BVSLBCMMSA-N 474.517 2.462 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243302 FIFQXHZWSLTSOZ-ODYMNIRHSA-N 474.945 2.260 10 20 JECD O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1795320125 OBPIHIKYMAILLG-MFKICJERSA-N 488.924 2.316 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccccc3o1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479391 DSWYOOHJAPCLSX-MRSFGVLCSA-N 472.501 2.429 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)no2)C3)cc1 1799620854 JOGXGQWVVVVNNI-OPMZPASUSA-N 450.495 2.305 10 20 JECD CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1801882442 UECBPUZUJOMRDL-YYIAUSFCSA-N 472.542 2.002 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 1802082265 CBOOBQULGSGTFX-BLNCCHSWSA-N 495.488 2.028 10 20 JECD O=C(NCCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccccc1 1808002026 SSIVRDAFUFOAHY-CYFREDJKSA-N 489.532 2.028 10 20 JECD COC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808464104 JGDXZRDLXIUYJV-WCAVRKLYSA-N 463.538 2.163 10 20 JECD CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808467246 DNBYCCJNMRJMEG-GOMRNUEMSA-N 476.581 2.254 10 20 JECD Cc1cnn(CC(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)c1 1808468394 QEJHVZWSXYHAPC-CPJSRVTESA-N 485.548 2.085 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)Cc3ccccc3F)C2)CC1 1809223857 FPVHMEYSSNSWGH-UHFFFAOYSA-N 463.600 2.460 10 20 JECD CCc1noc(C)c1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1810942874 YRIWZENYVNNORU-YWZLYKJASA-N 487.607 2.120 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811798253 ZZRCUPVRAQWOKX-KXBFYZLASA-N 474.945 2.381 10 20 JECD CN(C)c1ncc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)o1 1814163017 VDCWKLXWAKBRQN-VACSHPSYSA-N 493.520 2.285 10 20 JECD CC[C@H](C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)N(CC)CC 1814185196 NDGMUIKRXXXTLU-WAOWUJCRSA-N 491.683 2.068 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(O)nc1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817361805 HEGQZNBTUSKJMG-CQSZACIVSA-N 476.518 2.262 10 20 JECD COc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)nn1 1823475188 DQPDOAXHVACYPX-FSNWXROXSA-N 480.481 2.344 10 20 JECD Cc1nnc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)o1 1827116490 VWEUCOHGUOPDFD-NRFANRHFSA-N 478.553 2.333 10 20 JECD CC(C)CNC(=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827704228 WRWDGTFIWKMABY-QFIPXVFZSA-N 481.597 2.171 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c3ncccc13)CC2 1828244343 BZUATGHASPIFLJ-SNVBAGLBSA-N 486.604 2.106 10 20 JECD O=C(/C=C/c1cccc(O)c1)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828246964 LPPXTMIVIKNMJF-LVDDQXARSA-N 488.616 2.334 10 20 JECD O=C(c1cn2ccsc2n1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901525 FIZJOFHLZKZVTB-MRXNPFEDSA-N 491.664 2.489 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1coc(Cl)n1 1833988867 LCFMUFXHESVSRO-DUXPYHPUSA-N 490.944 2.343 10 20 JECD CCCC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1835822402 YQRLDMQYXHJLQJ-OAHLLOKOSA-N 495.020 2.241 10 20 JECD COc1ccccc1CC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031871 UFEJMOSYCKTXGO-UHFFFAOYSA-N 469.538 2.356 10 20 JECD CSCC[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838687818 DXIFYBVKLWWDHL-SFHVURJKSA-N 487.018 2.477 10 20 JECD O=C(/C=C/c1cnc[nH]1)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838803584 PAXYPXCWKLUANT-BUSIMMOISA-N 482.537 2.252 10 20 JECD Cc1cc(F)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840779741 ZJZZWLCTKPAWMT-UDFXQGOISA-N 486.496 2.034 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)CCc2cncc(C(F)(F)F)c2)C1 1846529602 ONMUWEFWPVGXAU-UHFFFAOYSA-N 486.541 2.097 10 20 JECD Cc1nc2sccn2c1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037877 VZLIOMSJCNBVCU-GQCTYLIASA-N 454.508 2.351 10 20 JECD COc1ccc(CCNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(OC)c1OC 727847149 WEXFXZKLEZRLPZ-LJQANCHMSA-N 470.570 2.456 10 20 JECD CN(C)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1F 749849960 JLKWDXXBFVCJOM-UHFFFAOYSA-N 450.355 2.310 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccccc3-n3cccn3)CC2)cc1 915744416 FFWUHNFUFHMDGC-UHFFFAOYSA-N 462.554 2.148 10 20 JECD COc1cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(C(=O)N(C)C)cc1OC 915778217 GUTYQAIUADAJDJ-UHFFFAOYSA-N 454.527 2.261 10 20 JECD O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCc1ccc(N2CCSCC2)cc1 917384126 SYIHRRYULABEPL-XMMPIXPASA-N 450.564 2.250 10 20 JECD COc1cc(OC)c(OC)cc1CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918118439 SFVDJWJTMHXDLH-KRWDZBQOSA-N 456.543 2.414 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 918224167 MIMYQMWWRZCPHL-UHFFFAOYSA-N 480.544 2.339 10 20 JECD CCCS(=O)(=O)Nc1cccc(C(=O)OCc2cc(O)n3ncc(C(=O)OCC)c3n2)c1 918945340 JIZVOIXQPAISMB-UHFFFAOYSA-N 462.484 2.120 10 20 JECD C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3cc(NS(C)(=O)=O)ccc3O)cc2)C1 919815761 ARSLRLHVMPJMCD-HNNXBMFYSA-N 481.596 2.114 10 20 JECD CC(=O)N1CCN(c2ccc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2[N+](=O)[O-])CC1 919971732 UXNCJWUPNAVEHX-UHFFFAOYSA-N 499.543 2.294 10 20 JECD Cc1cc(C)c2c(N)c(C(=O)O[C@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)C(C)C)sc2n1 924234165 ROQWXRQDUSMVSO-MGPUTAFESA-N 453.586 2.370 10 20 JECD Cn1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c2cccnc21 1778769256 MJDQEZZFVMPVIE-HSZRJFAPSA-N 470.913 2.395 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1ccc3cccnc3n1)CCO2 1782005506 KGSHVAGUDIRBCZ-HSZRJFAPSA-N 468.897 2.452 10 20 JECD CCn1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)cc1C 1783221630 ITURPNIAFPTGBZ-FFROZUAJSA-N 484.553 2.169 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)[C@]3(F)CCCC=C3F)C2)C1 1785695855 NVJAHIQMUUXNBN-RPWUZVMVSA-N 472.492 2.355 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)CC1 1785712161 LBLNTXCWTCWLQS-JOCHJYFZSA-N 495.960 2.252 10 20 JECD O=C1CC[C@H](C(=O)NC2(c3ccc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)cc3)CCC2)CN1 1788671078 IYNVNKVZTJVYMP-KRWDZBQOSA-N 473.533 2.440 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790243014 NGIFQRGWAGKMAU-DFPDZIMCSA-N 499.995 2.401 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)cc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480509 GENBXDRRYSWCNN-FAQVEIGNSA-N 466.925 2.336 10 20 JECD CO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1798418517 VCHNHIQWYMSVNZ-BHNDVYRESA-N 491.585 2.207 10 20 JECD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)ccc1Br 1799028229 RDQBQJXKSQBMNG-CCWDJLKJSA-N 476.327 2.081 10 20 JECD COc1ccc(C(=O)CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1 1804332421 YLWXRCXPZJSNRP-BJWYYQGGSA-N 489.619 2.157 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807998652 DIMIZPATXBYYFN-MBSDFSHPSA-N 489.532 2.463 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1nc[nH]c1[N+](=O)[O-] 1818075487 FMCDUMQQBJRLRM-MRXNPFEDSA-N 491.468 2.140 10 20 JECD CN(C)C(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821291523 SUOCUIYIGRSNED-AWEZNQCLSA-N 464.910 2.051 10 20 JECD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)n1ccnn1 1821726216 JTLAXJHSAHLUQL-BHDDWZGFSA-N 467.486 2.085 10 20 JECD Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)n1 1823496227 INGXJRFLCSHGOO-HNNXBMFYSA-N 458.569 2.279 10 20 JECD O=C(c1cn2cccnc2n1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428062 ZSLFVZLOWPIVCI-SFHVURJKSA-N 450.499 2.083 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cccn3ccnc23)CC1 1828637094 CHBWZDCAGOJKJF-SFHVURJKSA-N 485.635 2.428 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876266 GUTALCTYNIFHQD-ACMHHVSHSA-N 488.585 2.144 10 20 JECD COc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1F 1834985320 ILEXTRVLJQPCRS-UHFFFAOYSA-N 472.517 2.140 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)CC1)c1cc(O)nc(O)c1 1834986891 GTQSIWBMUUUVAT-UHFFFAOYSA-N 470.492 2.411 10 20 JECD CC(C)(C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836691848 HQYHGXMOYFRIBJ-QHCPKHFHSA-N 484.597 2.185 10 20 JECD O=C(CCN1CCOC1=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838273111 QCCBFFCMFAPKEI-UHFFFAOYSA-N 495.960 2.206 10 20 JECD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cnc1C 1839431747 KZKNASILIPKQNX-HSZRJFAPSA-N 475.929 2.147 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cnccc3Cl)C2)C1 1839433841 WRPDUMHYOSGDDA-OAQYLSRUSA-N 482.320 2.183 10 20 JECD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccccc1 1840881835 QJFJGQOWGWGYSB-SCADDTHXSA-N 482.533 2.077 10 20 JECD COC(=O)N[C@@H](C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1)c1ccccc1 1843441095 LXJXGHHTHRGMES-JOCHJYFZSA-N 489.532 2.080 10 20 JECD Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)n1-c1ccccn1 30586380 BXEFSSQEFVUZRQ-UHFFFAOYSA-N 454.552 2.440 10 20 JECD CCOc1c(Cl)cc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)cc1OC 727177638 MMVVQCODIZFSPV-UKTHLTGXSA-N 450.991 2.498 10 20 JECD COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(CCNS(C)(=O)=O)C3=O)o2)cc1 727178320 VIERASFEDMEZLF-LFIBNONCSA-N 466.562 2.484 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@H](CC(C)C)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)cc1 742916833 QBWRXWMXAAIEEU-HJOGWXRNSA-N 482.625 2.299 10 20 JECD COc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1OC 747480319 FRNXCOBVFJUCHI-FQEVSTJZSA-N 491.610 2.256 10 20 JECD Cn1ccnc1SCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 747901088 PKNHGFFTMUHVLK-DHDCSXOGSA-N 462.578 2.259 10 20 JECD COc1ccc(N2CCN([C@H](C)C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)cc1 856902768 KSCKZIPOLBLPKT-OAQYLSRUSA-N 452.599 2.354 10 20 JECD COC(=O)c1ccc(C)c(NC(=O)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 915744720 TZKAOINWKKUKMG-UHFFFAOYSA-N 468.554 2.057 10 20 JECD CCCn1c(O)nc2cc(S(=O)(=O)NC(=O)c3ccc(NC(=O)C4=S=CC=C4)cc3)ccc21 916190984 AHZJSMSIZGZQQU-UHFFFAOYSA-N 484.559 2.487 10 20 JECD CCOC(=O)C1=S=C(NC(=O)c2cc(C)nc3cc(C)nn23)C(C(=O)OC(C)(C)C)=C1C 917641040 HYPXQMVDQUQAFT-UHFFFAOYSA-N 458.540 2.346 10 20 JECD C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2)C[C@@H](C)O1 917708897 LRWSDESBCNRQMP-QZTJIDSGSA-N 491.585 2.390 10 20 JECD COC(=O)c1cc(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1OC 918117597 NVEJEPBYBPAGHP-GOSISDBHSA-N 454.527 2.183 10 20 JECD Cc1cc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(Br)cc1 918570309 SHSAKGKEEBPVQJ-INIZCTEOSA-N 482.400 2.280 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)C3CCCCC3)cc2F)C[C@@H](C)O1 918870443 FPZXGDXCTOJGOI-CALCHBBNSA-N 463.550 2.295 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cc3cnn(-c4ccccc4)n3)cc2F)C[C@@H](C)O1 919337005 JJMOQBNWDKTBBT-QZTJIDSGSA-N 481.528 2.422 10 20 JECD Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 928980686 GEWTYEVPKOLABG-BKUYFWCQSA-N 452.490 2.387 10 20 JECD COc1cccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1C 1777850998 QKRPGCUXUGBCLF-CJFMBICVSA-N 469.538 2.180 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(F)cc(F)c1F)C2)c1cc(O)nc(O)c1 1777851241 DTCSRAXUNPLUDC-OPAMFIHVSA-N 465.428 2.351 10 20 JECD CCn1nc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1C 1779831092 HCHAQLJEPWORPN-ATIYNZHBSA-N 492.580 2.132 10 20 JECD COc1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1C 1782004818 NNCKKRMZBOTUIY-JOCHJYFZSA-N 461.902 2.221 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007727 NOARNIJUBPGHLT-JTSKRJEESA-N 451.951 2.068 10 20 JECD Cc1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c(C)s1 1785413242 NDLIGBVAUVUSEA-QEEYCIGUSA-N 487.578 2.112 10 20 JECD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)ccc1F 1785510180 FPAIKYOGEGIHAI-BSBODGDASA-N 472.469 2.108 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cccc2nccn12 1790418006 RJDOXNMPVQMKAD-RFUYNDQBSA-N 470.913 2.306 10 20 JECD CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C[C@@H]21 1790571737 PSJXAMRONASQCE-PMVMPFDFSA-N 497.665 2.171 10 20 JECD C/C(=C\c1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1791609868 JBMHMLHCEZEOJI-BNLJNGAUSA-N 479.533 2.295 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ccccc4c3)C[C@@H]21 1792238650 MLFSQHUWEFVDRV-ACRUOGEOSA-N 497.642 2.222 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799619871 HDVPHPDDVKKJRW-WWOUZDQESA-N 466.582 2.212 10 20 JECD CCOC(=O)/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799619964 AYMLFIAYEGNBEU-BWGGMDLNSA-N 465.550 2.417 10 20 JECD Cc1csc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c1 1804330804 HOSJXINLHCGZMU-QDMKHBRRSA-N 451.639 2.488 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998611 NBAJECFMLPWRJL-QMHKHESXSA-N 495.467 2.497 10 20 JECD CC[S@](=O)CCC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1810116303 FKJVIRYRJYOUEB-IMWKCIGXSA-N 495.605 2.039 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2ccnn2c1 1812204125 SAQFVLNTYZXRPH-KSFYIVLOSA-N 458.478 2.169 10 20 JECD Cc1ncc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)s1 1813373339 DXWCDLTVXGWPBL-VFNWGFHPSA-N 453.524 2.215 10 20 JECD Cc1cnn(CC(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)c1 1814163502 FFEDTKALHWEOHX-ADXKRPKKSA-N 477.521 2.123 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)/C=C/c2ccoc2)[C@@H]1c1cccnc1 1814184746 FIIAXZVZPXWDRV-RIEYKTBPSA-N 470.576 2.254 10 20 JECD Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1O 1814190362 YHHLTKWSDIZRAS-UWJYYQICSA-N 484.603 2.276 10 20 JECD Cn1ncc2c(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)cccc21 1816724708 BPNKAVYICWXXND-GFCCVEGCSA-N 464.507 2.376 10 20 JECD Cc1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)cn1 1817363545 IKAXOLBMVVQFGV-AWEZNQCLSA-N 475.534 2.260 10 20 JECD C/C(=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)C(=O)O 1823411954 BTSUBWDIXUATBF-RMHQSFGDSA-N 464.482 2.226 10 20 JECD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708426 YTNRIGLOUPHKOM-SNVBAGLBSA-N 492.901 2.238 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1nc3ccccc3[nH]1)CC2 1828244713 ONPOBPNIOAMCRI-JTQLQIEISA-N 486.604 2.106 10 20 JECD Cc1nn(C)cc1C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1836968918 KEHLAPDBWOZSCU-GQCTYLIASA-N 484.553 2.171 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1Cl)CCO2 1837891612 YBAXIOYGRNHRTC-NRFANRHFSA-N 482.320 2.183 10 20 JECD CC(C)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)CCC1 1840611827 QTAGYQJTASBXIX-VWLOTQADSA-N 482.581 2.062 10 20 JECD Cc1n[nH]cc1C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251542 FOJFXEYQNOTUSZ-GOSISDBHSA-N 499.568 2.082 10 20 JECD CN(CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 728206991 DNZFQZIWPVJGRR-UHFFFAOYSA-N 469.966 2.377 10 20 JECD Cc1cc(N)ccc1C(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 728363351 IZAJLKGXBSRZMN-VXLYETTFSA-N 499.570 2.480 10 20 JECD C[C@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)S(=O)(=O)c1ccc(F)cc1 729177834 FDXIRECYHQOTEU-SJLPKXTDSA-N 461.559 2.396 10 20 JECD Cn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccc(S(C)(=O)=O)cc4)cs3)ccc21 906483047 ZILSYGGVNYXMRM-UHFFFAOYSA-N 465.534 2.459 10 20 JECD O=C(COC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCC(=O)N1CCCC1 913360644 MXBYCPFUMSRLSU-RVDMUPIBSA-N 481.621 2.011 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)CC2)cc1 914467884 RCXXRUQFHAXMNR-UHFFFAOYSA-N 490.601 2.217 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NC[C@]3(N4CCOCC4)CCSC3)cc2F)C[C@@H](C)O1 918214952 QVWGPLFVGVPYOB-IEGUWTFLSA-N 466.623 2.446 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1 918287352 QEZPTIKDGYKPLX-GASCZTMLSA-N 463.531 2.098 10 20 JECD COC(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1Cl 918441076 WHXRAROISLCQBR-UHFFFAOYSA-N 463.893 2.482 10 20 JECD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCCN2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c1 1343427907 AJDZTBSXJCXIGN-UHFFFAOYSA-N 497.983 2.456 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cccc4cc[nH]c34)C2)C1 1778039302 AHOGILCBOQLNTN-NHDFZSDJSA-N 463.490 2.442 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)COCCO)C2)cc1 1780766852 RFPLGEVJGYWFQH-ZEQKJWHPSA-N 469.582 2.231 10 20 JECD CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781119481 KSLZRZNLUVATBF-WZONZLPQSA-N 481.977 2.041 10 20 JECD Cc1cnn([C@H](C)C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1782513773 QTAHBRXAPHJLHS-KCVHQNEMSA-N 492.580 2.059 10 20 JECD Cc1cc(F)ccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785511335 FLEHJXPHYZZCGJ-MLENBVEFSA-N 456.470 2.408 10 20 JECD O=C(CN1CCSCC1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1785823888 ICDOZYFWODATRF-UHFFFAOYSA-N 478.665 2.030 10 20 JECD O=C(Cc1ccc(OC(F)(F)F)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1786660455 CWALALABWBUPPQ-WBAXXEDZSA-N 495.454 2.227 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C(F)(F)F)cn3)C[C@@H]21)c1cc(O)nc(O)c1 1787290645 XUXYTEWCRCWSFE-KKXDTOCCSA-N 494.470 2.133 10 20 JECD CCCc1onc(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1787656324 HWLFEKXZYWEUHP-OMOBONOLSA-N 485.537 2.359 10 20 JECD CS(=O)(=O)c1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)c1 1794625795 YDHYDBNLFWDARC-QDMKHBRRSA-N 479.942 2.115 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc(-c2cccnc2)[nH]n1 1798159175 PBDGGVQRZRLTBC-YVWYUNDQSA-N 483.912 2.053 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc[nH]1)C2 1798418271 KRKQCKDYUHBZMH-MHORFTMASA-N 499.568 2.209 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc(F)c1F 1801829986 YVVAQDUXMDUWSJ-BTTYYORXSA-N 453.536 2.006 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2ccccc2C1 1801845767 QRJWSSZCJXRWTF-AKHDSKFASA-N 457.621 2.290 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1ccc[n+]([O-])c1 1804784746 OPQHTYNHTMUKQY-YWZLYKJASA-N 468.897 2.413 10 20 JECD Cc1ncoc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1805860664 WVXFFKQTIBWICM-XMSQKQJNSA-N 472.505 2.491 10 20 JECD COc1cncc(CCC(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)c1 1807005130 JRMMDPXOCTZCTN-UHFFFAOYSA-N 454.527 2.374 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(=O)oc2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468469 RBDRJELCALPFQQ-MHECFPHRSA-N 485.500 2.147 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)C3CCC4(CC3)OCCO4)CC2)C1 1810550910 XQJDCMNALPEREA-UHFFFAOYSA-N 459.543 2.271 10 20 JECD Cc1nccn1CC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814165359 FAMQTAAMLWVJMU-CTWZSZLHSA-N 477.521 2.123 10 20 JECD COc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)n(C)n1 1816137613 BSJPEZHCGMPSAL-LOWQCSRCSA-N 482.497 2.288 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722317 XPPMFDCUFSLCJP-FUHWJXTLSA-N 479.562 2.232 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3c[nH]nc13)CC2)c1cc(O)nc(O)c1 1816726301 VMBAIMMJJUEXPX-GFCCVEGCSA-N 450.480 2.365 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817847369 XYVBCODVUVAQCP-DOMZBBRYSA-N 474.518 2.435 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC3)cc1 1823440644 UQWNXLQPKAULKV-PKOBYXMFSA-N 494.621 2.369 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2)c1ccccn1 1827075675 KLCOBIIFENDXTN-NWDGAFQWSA-N 475.621 2.114 10 20 JECD CC(=O)C[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900860 YGPSQHBUEKWYES-WMLDXEAASA-N 453.630 2.082 10 20 JECD Nc1nc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)cs1 1834751167 HKNXSPWDBGCWHR-UHFFFAOYSA-N 479.990 2.289 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1)c1cccc(Cl)c1 1836268524 ARUOCAZLTHYKAD-UHFFFAOYSA-N 495.070 2.386 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 15408682 IKUAKKXRYXVRCY-UHFFFAOYSA-N 465.019 2.371 10 20 JECD CCN(CC)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1F 731363876 OWLFKJVLXJICLE-UHFFFAOYSA-N 467.567 2.493 10 20 JECD C[C@H](OC(=O)CCc1nc(O)c2cnn(C)c2n1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 900701157 QUWXATJNYXTKIV-ZDUSSCGKSA-N 499.483 2.347 10 20 JECD CCNC(=O)[C@H](C)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 914438416 XDTGGMOLTVZCSX-AAIQCTMTSA-N 456.387 2.291 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 914565451 KMXYDZCMQKDMHO-UHFFFAOYSA-N 481.549 2.114 10 20 JECD Cc1cccc(N2C[C@@H](C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC2=O)c1C 916676656 NQQIXHCPHJYXSN-FQEVSTJZSA-N 455.580 2.208 10 20 JECD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918633236 JEQJEVUFYRTMFR-KFWWJZLASA-N 455.577 2.484 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccccc3SCC(N)=O)cc2F)C[C@@H](C)O1 918915470 CFVNSNSBSKWFSF-IYBDPMFKSA-N 489.569 2.490 10 20 JECD Cc1cc(CN2CCN(C(=O)NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)CC2)no1 919782260 GPGBGAXNMYXKHW-UHFFFAOYSA-N 494.575 2.266 10 20 JECD CSCC[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 919859884 JOKDMZQSRBBNLU-HBMCJLEFSA-N 459.612 2.436 10 20 JECD C[C@@]1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)CC1(F)F 1778127165 CQAOVYHZVACTLY-YFXJRYMSSA-N 474.508 2.339 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cn4ccsc4n3)C2)C1 1778631059 KNWMJEPOELOWBD-HXUWFJFHSA-N 462.915 2.218 10 20 JECD C[Si](C)(C)c1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)co1 1779003131 XTQSKOWNNLNUJR-COIATFDQSA-N 486.597 2.099 10 20 JECD COc1ccc(Br)cc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1781459665 PVRYZYOFAWDEJW-NRFANRHFSA-N 492.326 2.021 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1781931765 ASQSBMXZRTTYDO-NRFANRHFSA-N 468.840 2.492 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cn3ccccc3n1)CCO2 1782005375 BQKGJVUXIDSOIA-QFIPXVFZSA-N 456.886 2.156 10 20 JECD Cn1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c2cccnc21 1782007460 RWRSFVZKOVWDSF-QHCPKHFHSA-N 470.913 2.395 10 20 JECD CC(C)(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783218353 LVUGRIJUIYYNAQ-KLTBXSLDSA-N 462.543 2.146 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)C13CC(C(F)(F)F)(C1)C3)CCO2 1785503432 KKILGZNBSZUFJJ-KYHRSNFTSA-N 482.455 2.379 10 20 JECD Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(F)c1 1785510412 ZGGBQBKBBLSLRZ-PTGVWUEVSA-N 456.470 2.408 10 20 JECD Cc1cccnc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787537241 HWNXZXBASWVHRS-PTLVVNQVSA-N 489.576 2.095 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C(F)(F)F)CC3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539486 KBLQKZUSNDALDM-ZVZYQTTQSA-N 478.471 2.102 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc(F)ccc1OC(F)(F)F 1789254389 GSJNQLFJYLTQMV-KCTSRDHCSA-N 499.417 2.438 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc(-c2ccccc2Cl)[nH]n1 1789334033 WMUQYXHRMBMMCO-RISOHXOYSA-N 497.939 2.443 10 20 JECD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc(O)cc1 1789891431 HFEDKOKDJILNHO-NUPCCKMWSA-N 482.533 2.306 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1cn2c(Br)cccc2n1 1796601042 WWKQWQRACHKDFW-BTTYYORXSA-N 486.326 2.469 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2cccn2)nc1)C1=NN(c2ccccc2)C(=O)C1 1798900103 HTAVYTGLVIZQRU-NUZGMZIFSA-N 483.532 2.312 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1ccc2c(n1)OCCO2 1800714807 HLBNMHRCYLRBAA-BTTYYORXSA-N 459.886 2.483 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1809669245 XAYCNXMMSIHPPO-FKKBTLCVSA-N 460.625 2.384 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1n[nH]cc1[N+](=O)[O-] 1810636194 DGEJZENNQIAWBF-KZULUSFZSA-N 486.872 2.411 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@H]2CCCSC2)[C@H]1c1cccnc1 1814190896 DEBCSRKKKBMZGZ-BXWFABGCSA-N 478.665 2.091 10 20 JECD CC(C)n1nc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cc1C(=O)O 1816201021 JKZBATZWOWDHMB-OAHLLOKOSA-N 483.485 2.311 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1cnccn1 1816361604 RXAWZZKCWOTPQG-IBGZPJMESA-N 458.482 2.299 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3ccccc23)[nH]n1 1823500253 XYSWOEJLHQNJBX-OAHLLOKOSA-N 483.579 2.452 10 20 JECD NC(=O)c1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1825402846 ZGRNEUYUBWFELB-XSBJJCPUSA-N 494.548 2.244 10 20 JECD CN(C)c1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)o1 1828195521 PCJGIPFJTCRODP-GXWOQWCDSA-N 485.522 2.253 10 20 JECD CCc1ncsc1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828247582 ZNHLKPOAOJQXCV-SECBINFHSA-N 481.650 2.248 10 20 JECD COC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1831632663 SJFMDONFVKBQBB-NIYFSFCBSA-N 469.582 2.447 10 20 JECD Cc1ccc(F)cc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834985540 TZDRUOMDMFYKAC-UHFFFAOYSA-N 456.518 2.439 10 20 JECD CNCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1835665904 PDCOYTJIWJOXFY-AREMUKBSSA-N 468.598 2.164 10 20 JECD C[C@H]1CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)N1C(=O)OC(C)(C)C 1841011286 OHAXQIHHJYEMRP-HOCLYGCPSA-N 460.531 2.098 10 20 JECD O=C(/C=C/c1ccc(Cn2ccnc2)cc1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843248888 FAUQFXWXVAUOQW-VOTSOKGWSA-N 459.506 2.268 10 20 JECD COCCCC(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843330541 DUQPFINBRFYCEG-HXUWFJFHSA-N 474.602 2.335 10 20 JECD C[C@H](OC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 750000295 GQIIASFUQASPRZ-UONOGXRCSA-N 455.488 2.157 10 20 JECD COc1ccc(C(=O)CNC(=O)CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 751306996 SUCXULAVVCYSND-UHFFFAOYSA-N 453.539 2.270 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCCN(C(=O)c4cccc(F)c4)CC3)CC2)cc1 913203509 GYPUZAQXHNUORJ-UHFFFAOYSA-N 454.546 2.331 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NCC(=O)NC1CC1 914442340 BVZQXNWOYPWZAY-NTUHNPAUSA-N 454.371 2.045 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(OC)c(NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 917141110 KXAIWTSIFSUDQK-UHFFFAOYSA-N 490.626 2.495 10 20 JECD C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918797810 DLPHYWVPYJITOW-OAGGEKHMSA-N 461.490 2.010 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cc4ccccc4cc3NS(C)(=O)=O)nc12 918918492 DCGUANOTBOIVKD-UHFFFAOYSA-N 484.490 2.493 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(CN4CCN(C)CC4)c3)cc2F)C[C@@H](C)O1 920188149 DXDLXLTWLOGJCC-BGYRXZFFSA-N 497.615 2.442 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)N(C)Cc3nc(O)c4ccccc4n3)CC2)cc1 920252487 KNTIYGANFKRNPX-VAWYXSNFSA-N 461.522 2.207 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@H](c3cccc(F)c3)N(C)C)CC2)cc1 920252563 MXGMUTLUBBZAPS-HRBBJJPOSA-N 454.546 2.458 10 20 JECD C[C@H](NC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 920868267 BNBRCRYIFUCAAB-INIZCTEOSA-N 491.570 2.307 10 20 JECD CCCc1onc(C)c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1778263007 JZURSFCGKURVPU-UZUQRXQVSA-N 458.515 2.183 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)cc1 1781755183 GZXHBHYIWBLZQF-HSZRJFAPSA-N 492.498 2.216 10 20 JECD CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)cn1 1788393169 XWRBBZHPPSFSDK-UHFFFAOYSA-N 496.545 2.494 10 20 JECD Cc1noc(N)c1C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792314001 SPUSHWIUFNJOJE-UHFFFAOYSA-N 459.553 2.173 10 20 JECD O=C(CCCc1ccncc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1794131686 PQUJMPQDWLGTPY-UPHUGPLXSA-N 459.930 2.372 10 20 JECD CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1797700535 PTDZFGFDOQCFLV-DXKRWKNPSA-N 481.597 2.005 10 20 JECD CCOC(=O)c1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)ccn1 1799410785 VAWBJJZRPRXIMS-FNLKRUPLSA-N 489.532 2.303 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCNC(=O)c1ccccc1 1804065975 ZSSSMXGQYFRPDD-LDEDEHCMSA-N 479.533 2.275 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@@H](CNC(=O)C2(Br)CC2)[C@H]1c1cccnc1 1808707760 OJSIOHXANGFKIN-SUMWQHHRSA-N 461.316 2.135 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811805893 FWVRIKUYAINTOC-SJCJKPOMSA-N 457.874 2.208 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2[nH]cc3c2CCC3)[C@H]1c1cccnc1 1814190154 ROLTUTFQWGASNG-KKSFZXQISA-N 483.619 2.078 10 20 JECD Cn1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)n1 1818146415 HGKTYJRDDNODLG-IBGZPJMESA-N 460.498 2.242 10 20 JECD NC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)c1ccccc1 1826980547 GWEIXOLCKLPQMI-WOJBJXKFSA-N 488.679 2.209 10 20 JECD CCOC(=O)C1(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)CC1 1828197823 MAZSAVCJRHPVET-FLUIGGAXSA-N 487.534 2.229 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cc(O)nc(Cl)c2)C1 1842246389 LLQFUNLEJYKFLT-UHFFFAOYSA-N 453.886 2.051 10 20 JECD COc1ccc2oc(C(=O)N3CCCC34CN(C(=O)CN3C(=O)CSC3=S)C4)cc2c1 1844020168 ZMYAJUVEVSFDLN-UHFFFAOYSA-N 459.549 2.119 10 20 JECD O=C(Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)C1=S=CC=C1 492193909 FLPHPGWMEVWHAL-UHFFFAOYSA-N 471.560 2.176 10 20 JECD O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CC[C@H](N2CCCC2)C1 727175320 PETSCERUIXHFTO-KRWDZBQOSA-N 460.512 2.412 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(CCc4ccccc4)CC3)CC2)cc1 742948569 ZBOZEWLSZQTISX-UHFFFAOYSA-N 451.615 2.387 10 20 JECD COc1ccc(CNC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)cn1 913660729 DHNIOZPEAVFNKP-UHFFFAOYSA-N 458.452 2.435 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 915731940 IMBQIQMVBPNVMU-UHFFFAOYSA-N 464.975 2.445 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)Cc3cccc(F)c3)cc2F)C[C@@H](C)O1 917298323 YZWVJARNZUSNBG-CALCHBBNSA-N 489.519 2.097 10 20 JECD CN1CCCN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)CC1 918284907 UOGNXTMZWYGMOZ-UHFFFAOYSA-N 469.561 2.059 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 918333984 DWJONQATHNPZGF-UHFFFAOYSA-N 472.567 2.362 10 20 JECD C[C@@H]1CN(Cc2ccc(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cc2)C[C@@H](C)O1 918338104 SLMUXFZEHZSQDX-WOJBJXKFSA-N 471.623 2.461 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CC(=O)N(c4cccc(SC)c4)C3)nc12 918951913 OYVZKORVFOVUKB-CYBMUJFWSA-N 470.507 2.430 10 20 JECD C[C@@H]1CN(c2ccc(CNc3ccc(S(=O)(=O)N4CCOCC4)cn3)cc2F)C[C@@H](C)O1 1317886346 GFKZNPYFFURNIS-IAGOWNOFSA-N 464.563 2.467 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc2c(c1)CCCC2=O 1778647633 GPTSAIUVZCVKCO-QFQXNSOFSA-N 479.533 2.453 10 20 JECD CCC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)COC1 1781649980 TZVZCELJHXDRAY-VGOFRKELSA-N 452.935 2.305 10 20 JECD CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781754120 WRENGLIVZCAHDR-RXFWQSSRSA-N 481.597 2.245 10 20 JECD COc1ncccc1CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003232 GQLFWVQLWFZDQQ-QHCPKHFHSA-N 475.929 2.231 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cncc(O)c1 1782043249 VPRIDBCOOJFPQQ-XMSQKQJNSA-N 461.902 2.293 10 20 JECD CCc1c(Br)cccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1799711197 XTFBBTWQTIEBBX-VTEUUUEMSA-N 490.354 2.335 10 20 JECD CCC[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CSC2=S)CC1 1802106822 PLIKBJLZPAFPQD-SMOZFGAISA-N 467.657 2.043 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)n1cccc1C=O 1807992867 DONPVRGRNBVOLP-ZWWNWMABSA-N 463.494 2.083 10 20 JECD Cc1noc(C)c1CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807993874 PBUAEBPKCGFICD-GAJHUEQPSA-N 465.510 2.445 10 20 JECD COc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(O)c1 1807996116 YCOUASOTYKTWRD-QRQCRPRQSA-N 464.478 2.235 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2c(c1)OCO2 1808986805 FHKUYKWMJKPLIH-OPAMFIHVSA-N 462.462 2.250 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cnn2ccccc12 1809075479 ZWZSVAZXIVLFLJ-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811805566 AYJPTSOQEXEKJC-RCDCFZSISA-N 472.929 2.157 10 20 JECD Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)nc1C 1814186462 PLHHGVMQRKUBRY-LAUBAEHRSA-N 483.619 2.273 10 20 JECD Cc1nnc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)s1 1815575254 MEJFGSZAVYOUNC-CYBMUJFWSA-N 495.590 2.251 10 20 JECD CN(C)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1817142711 SBVHDNKWZOTQTO-IBGZPJMESA-N 451.531 2.146 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc2n[nH]cc2c1 1817860953 PIJDLSGQLDQRDF-INIZCTEOSA-N 483.579 2.452 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc(F)c[nH]1 1822241071 JVINFFIJHWBSAU-ZDUSSCGKSA-N 450.521 2.043 10 20 JECD C[C@H](Cn1ccnc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1826826205 QATWKJJRVJQTKJ-HZPDHXFCSA-N 491.577 2.381 10 20 JECD Cn1nc2c(c1C(=O)N1CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC1)CCC2 1827429469 LIQFUSMKXCZNCG-IBGZPJMESA-N 453.543 2.262 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])CC1 1827648947 SPLXHRKZLFACBN-YERXGYGTSA-N 485.497 2.381 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)Cc3cc(F)ccc3F)CC2)CC1)c1cc(O)nc(O)c1 1834988194 IZXMYUAWJNQMLR-UHFFFAOYSA-N 474.508 2.199 10 20 JECD C[C@@H](Cn1cccn1)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1837222979 RGVDOJDKKBMMPL-JXTAAOLFSA-N 498.580 2.348 10 20 JECD CCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)cn1 1837387009 QMWOAOBSFBJSHV-UHFFFAOYSA-N 490.651 2.117 10 20 JECD C[C@@H]1CCC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838300080 BKDHIEVRFYJJQM-CRAIPNDOSA-N 467.657 2.282 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1839433234 AQDPETFMHLKHGL-OAQYLSRUSA-N 492.941 2.073 10 20 JECD O=C(CCc1c[nH]c2ncccc12)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442885 BASSKWHBWPPRES-UHFFFAOYSA-N 470.533 2.492 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)C1 1845142943 SDBAHASJGVVBIJ-UHFFFAOYSA-N 452.467 2.340 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 1845577994 NQWYFZUJOLELRH-XVNBXDOJSA-N 479.449 2.118 10 20 JECD C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@@H](C)O1 729600352 XYPZHEOYNFWOQR-URLVKDPJSA-N 457.619 2.172 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 746988158 GJTBMXJIVOFPPZ-UHFFFAOYSA-N 453.543 2.209 10 20 JECD CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 916608880 SYNMRPVVGLYCKD-GOSISDBHSA-N 461.492 2.270 10 20 JECD CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 918296829 NQQSHETWMUIXKZ-HNNXBMFYSA-N 450.488 2.081 10 20 JECD CC(C)C(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 918463940 PRFNMUQAMUSHOD-GOSISDBHSA-N 465.554 2.238 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(N4CCCC4)c(F)c3)cc2)C1 918464422 VPFNUQQEYAXKGN-GOSISDBHSA-N 467.545 2.383 10 20 JECD Cc1c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1-c1ccccn1 919085514 BATQQXUVTLIYQQ-UHFFFAOYSA-N 453.474 2.025 10 20 JECD O=C(COc1ccccc1CNC(=O)NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1CCCO1 919789998 CSGQLCGFUGDCQM-QHCPKHFHSA-N 482.581 2.197 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 919790182 PHZWWSHMLFRNSU-UHFFFAOYSA-N 458.584 2.307 10 20 JECD CC(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919800273 QMIBRMVTRQEVDK-UHFFFAOYSA-N 491.527 2.156 10 20 JECD CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 920635270 FSWOESDJIOWANG-UHFFFAOYSA-N 463.512 2.041 10 20 JECD COC(=O)c1c(NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)sc2c1CCCC2 920636986 SCASAZJEBDCDDN-UHFFFAOYSA-N 482.536 2.286 10 20 JECD CCCS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 920739860 RIIPVGJYIWTYOQ-UHFFFAOYSA-N 465.597 2.003 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(C(F)(F)F)n1)CCO2 1785507020 IKPDTONTBCUNCI-YHCZKZFASA-N 493.438 2.374 10 20 JECD Cc1ncc(/C=C/C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)s1 1791734312 SEYMMNLPISREMW-YYCKNUOGSA-N 493.589 2.237 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(Cl)nc1)C1=NN(c2ccccc2)C(=O)C1 1792413980 GRKSGDLXRXPAGS-ACHSLPGTSA-N 452.902 2.175 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1ON=C(c2ccccc2)O1)C1=NN(c2ccccc2)C(=O)C1 1798325797 MVIVLZFUKWNVEP-ALWXHMJKSA-N 487.516 2.152 10 20 JECD O=C(Cc1cc(F)ccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1801975482 ALHOXDOCHGJOHL-VTEUUUEMSA-N 466.868 2.475 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804291540 LTGMDGJCEXEDFK-SDKJRITQSA-N 453.495 2.317 10 20 JECD CC(C)(C)n1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cn1 1804935195 ZMWNZCOTTYGPGI-HRAATJIYSA-N 464.526 2.473 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cccs1 1805392533 PBVIZBFWGJYJHC-KDOFPFPSSA-N 460.606 2.323 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3O2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996261 PWCVFBDQWSLJRH-KPDCDPCYSA-N 460.490 2.211 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cocn2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808466899 CCCMHVHFRPLVEU-VGOFRKELSA-N 458.478 2.182 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811797764 WDESUOVISVDTCA-AFBRZQFHSA-N 474.945 2.381 10 20 JECD CCOC(=O)O[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814165627 JHZLQCAIBQYYJS-OFWGVEALSA-N 499.520 2.479 10 20 JECD N[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)c1cccnc1 1817844739 JFGSCUVDYADRJG-DOTOQJQBSA-N 451.487 2.007 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2nc3ccccc3[nH]2)[nH]n1 1823498654 SQYPJZPRTVAASF-OAHLLOKOSA-N 483.579 2.452 10 20 JECD CS(=O)(=O)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)c1 1827423899 AOVQJGFVRQYCPU-FQEVSTJZSA-N 487.578 2.443 10 20 JECD CC(C)c1nc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)no1 1827423948 LHXFNMJYGCCLMG-KRWDZBQOSA-N 457.531 2.475 10 20 JECD N=C(N)SCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715924 VQVIIQRSFCVBSS-FQEVSTJZSA-N 484.626 2.416 10 20 JECD O=C(/C=C/c1cccnc1)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240639 YPNFLIFDNGDUSP-VUUYWXRKSA-N 473.605 2.024 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c3cccc(Cl)c13)CCO2 1837182438 WNSYOXASBMFRFG-HSZRJFAPSA-N 486.912 2.011 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(=O)oc4)C3)C2)cc1 1839348901 SMMQPGIPUHRLEH-MHZLTWQESA-N 491.544 2.431 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1839433432 VACIDRZVZBVMLC-QFIPXVFZSA-N 498.866 2.119 10 20 JECD O=C(c1cnc(-c2ccccn2)nc1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847033815 GQDGSLRIUUDEIV-SOFGYWHQSA-N 473.489 2.186 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CNC(=O)NCc3ccc(Cl)cc3)cc2)C1 727372451 GSTATLPRAZWWFL-GOSISDBHSA-N 457.962 2.157 10 20 JECD C[C@@H](OC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 748971245 XHIKUYMRQJVSBO-CQSZACIVSA-N 492.509 2.435 10 20 JECD NC(=O)c1ccc(F)c(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 918278487 VTMMXUNZXLCGFK-UHFFFAOYSA-N 468.407 2.035 10 20 JECD Cc1ccc(S(=O)(=O)NCCCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1C 918373442 ZOGOWOLKITXIJF-OAQYLSRUSA-N 486.638 2.380 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCNC(=O)c3ccco3)cc2F)C[C@@H](C)O1 918884424 WOBMAGRAELITNZ-IYBDPMFKSA-N 461.490 2.012 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2cc(Br)c3c(c2)OCCO3)c1 921086783 POTBZQKNJCBMSU-UHFFFAOYSA-N 457.302 2.227 10 20 JECD CC(=O)Nc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)ccc1C 1781079062 GBLQKRQBHKFUCK-CJFMBICVSA-N 482.537 2.201 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccc(Cl)nc1F 1785489738 LAIHZZKEYQFXBD-FNHZYXHNSA-N 499.930 2.260 10 20 JECD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785511818 UVVKZCWXMJBKMT-FVGJVVOLSA-N 495.488 2.268 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1789949748 JEGIHPXAQVAMMF-IVEVCXFLSA-N 482.533 2.264 10 20 JECD COC(OC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 1790124361 RLEWIRPPPVXDRX-BVSLBCMMSA-N 455.555 2.306 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn4ccnc4c3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790244903 FCMPOTWJIGGNFJ-QOKNQOGYSA-N 470.913 2.306 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4ccccc34)C[C@@H]21 1792239196 VEBUNKYLEYZNDO-VDGAXYAQSA-N 483.615 2.293 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncc(Cl)cn1)C1=NN(c2ccccc2)C(=O)C1 1794877980 HWHSHRJDOPADOV-ACHSLPGTSA-N 452.902 2.175 10 20 JECD Cc1cc(C)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1798916354 UHKMJBHQGYEBBK-IRJINJETSA-N 460.534 2.300 10 20 JECD C/C=C(\C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1800464121 FYNZAFUUWMKILL-AIPHRGIXSA-N 486.613 2.260 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@@H]1CCc2ccccc2C1 1800678232 DLMJMTKSGJMGIO-ZUVQJFRASA-N 486.572 2.174 10 20 JECD CS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)nc1 1800715787 OSKFQPVZMDDKJU-BTTYYORXSA-N 479.942 2.115 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n(C)n1 1805647332 ZBIBEVZKECQTLZ-LFXIQIKPSA-N 477.521 2.273 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1ccc(O)cn1 1806105060 FBLBASCZSJFATI-MHECFPHRSA-N 484.516 2.295 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994344 UQEGBTSWHCQBHN-VGRBDKTESA-N 479.449 2.422 10 20 JECD O=C(COc1ccc(F)cc1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1813723365 AVWMZZMLGHHTEJ-ZDUSSCGKSA-N 458.471 2.393 10 20 JECD CC(C)N1CCC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)CC1 1815637443 SEJZLLRVBPUNKM-QGZVFWFLSA-N 492.671 2.383 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccc4n[nH]cc4c3)sc2C1 1816754202 AOCXIDMGDMHZAS-LBPRGKRZSA-N 486.604 2.106 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2CCCCO2)CC1 1824910730 IGASBQNXNPETLY-QZTJIDSGSA-N 467.657 2.426 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)no2)CC1 1829363588 ZSTRAPXPNZTMRD-IBGZPJMESA-N 465.510 2.406 10 20 JECD O=C(O)CSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1831885899 IGUPSNQTNGSVHX-UABRLCRWSA-N 478.567 2.254 10 20 JECD COc1cnc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c(F)c1 1832896389 GFOCVOFGCPHLSX-QGZVFWFLSA-N 494.614 2.323 10 20 JECD Cc1c(F)cccc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833169639 WIYKVPHAOUKLNX-UHFFFAOYSA-N 456.518 2.439 10 20 JECD Cc1nn(C)c(C)c1C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1833573970 YTJMQKCPJMRONH-FNORWQNLSA-N 497.596 2.052 10 20 JECD CO[C@@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccccc1 1834460631 AFQYIQLLXRMEHP-HSZRJFAPSA-N 468.554 2.066 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3C[C@@H]3C3CC3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134209 BAIYXAOPNBOCBD-DHIUTWEWSA-N 477.609 2.397 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(Cl)c1)CCO2 1838920622 YQWFQTUQMMQFSM-SXBBHYFQSA-N 488.924 2.240 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(=O)oc4)C3)C2)cc1 1839348900 SMMQPGIPUHRLEH-HHHXNRCGSA-N 491.544 2.431 10 20 JECD COc1ccc(Br)cc1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250457 AUSLEXIMGPWWKR-UHFFFAOYSA-N 462.300 2.395 10 20 JECD O=C1Nc2c(cccc2C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)C1=O 1844127329 XBZNMMRMRYOTRP-UHFFFAOYSA-N 455.854 2.017 10 20 JECD CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845502384 RWYRNKMPVTVXLB-HNNXBMFYSA-N 493.944 2.494 10 20 JECD Cc1cc(C(=O)CN2C(=O)N[C@H](CCS(C)(=O)=O)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 16544353 XRGVHJVOBDHXNF-QGZVFWFLSA-N 483.493 2.233 10 20 JECD O=C(Nc1c(C2=S=CC=C2)nc2ccccn12)c1ccc(S(=O)(=O)N2CCOCC2)cc1 509806736 HLPZRFPJXMIACT-UHFFFAOYSA-N 468.560 2.233 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H](C(C)C)N2CCCC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 726037891 LWLRBBIDEIRUOA-QFIPXVFZSA-N 475.567 2.114 10 20 JECD Cc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1S(N)(=O)=O 730890202 PMSINOMVTFPHPV-UHFFFAOYSA-N 478.482 2.213 10 20 JECD O=C(NC1CCN(C2CC2)CC1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 913674764 GAMBCIZFPKESEM-UHFFFAOYSA-N 460.512 2.458 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnc(C(C)(C)C)n3N)cc2F)C[C@@H](C)O1 917175841 SXBAVQGHQBBDKE-OKILXGFUSA-N 450.584 2.451 10 20 JECD COc1ccc(N2CCCN(CN3C(=O)N[C@](C)(c4ccc(S(C)(=O)=O)cc4)C3=O)CC2)cc1 917485871 UHDITGLQHASEFJ-XMMPIXPASA-N 486.594 2.036 10 20 JECD C[C@H]1Cc2cc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)ccc2N1S(C)(=O)=O 917832841 HLMOORHDCROYLM-LPHOPBHVSA-N 470.595 2.029 10 20 JECD O=C(CN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1)Nc1ccc(F)cc1 918219864 PJYMIYGFQBBDCG-UHFFFAOYSA-N 487.551 2.392 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(N4CCNC4=O)c3)cc2F)C[C@H](C)O1 918286326 GZVIYJRAEBVWHF-HOTGVXAUSA-N 469.517 2.224 10 20 JECD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C2CC2)cc1 918455516 JLJBHSFPQAAFPZ-UHFFFAOYSA-N 450.539 2.355 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc2F)C[C@@H](C)O1 918879502 MKXDAVDRFSSBHI-LMMKCTJWSA-N 487.528 2.240 10 20 JECD CC(=O)Nc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)o1 1779371820 QZQYMRPXEZBMTQ-INAADSDXSA-N 499.520 2.196 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cnc(Cl)s3)C2)C1 1779724722 AGNHNGYZCHBEQP-ZFDYTMOGSA-N 465.915 2.070 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)C1 1780763485 RTFWYCMVYJZPIU-LJQANCHMSA-N 487.525 2.009 10 20 JECD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c(F)c1 1781594552 HTMFKPRLXVTTOX-RUZDIDTESA-N 480.496 2.071 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c3nccc-3c1Cl)CCO2 1785508245 CEOIFHHWSGVMBE-UQPVFDRXSA-N 498.923 2.442 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCc3ccccc3F)C[C@@H]21)c1cc(O)nc(O)c1 1787292370 NGYUZAOFKYSYNI-QRFRQXIXSA-N 457.502 2.248 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)c(F)cc3F)C[C@@H]21)c1cc(O)nc(O)c1 1787295469 WWLYOCQCSWGQKC-SVKFGRERSA-N 467.856 2.332 10 20 JECD Cc1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c(C)s1 1787537215 FFLZKWKEUHLHBS-JLMWRMLUSA-N 495.605 2.075 10 20 JECD COc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790242175 RLHZFNRCYQBFCE-QITLCBANSA-N 461.902 2.062 10 20 JECD COc1nn(C)cc1C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792314138 XCOJQFBZZPLRCD-UHFFFAOYSA-N 473.580 2.037 10 20 JECD O=C(c1cc(O)nc(O)c1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(C(=O)Nc3ccccc3)CC1)C2 1796601145 YJEFBBPXYGTXJW-BCDXTJNWSA-N 450.495 2.164 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc2cnccc2n1 1796895966 XWKFWYQKVBIPFP-YVWYUNDQSA-N 468.897 2.211 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(Cl)c(Cl)c1)C2 1802080269 LGUQTQHNXIPRAP-UNALJEAJSA-N 494.331 2.422 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1802124182 VOXIMHUFQNHPTH-ZAWLATJESA-N 483.569 2.331 10 20 JECD COc1nn(C)cc1C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1807979960 QSIXHWRQRBUIMI-UHFFFAOYSA-N 478.553 2.066 10 20 JECD COc1nccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1F 1807993376 JIQLAVZPUPKSCG-VLIAUNLRSA-N 467.457 2.064 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1c[nH]c2ncccc12 1809116660 LFQHRVGIIJENCY-QVKFZJNVSA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)no2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811805854 DWDORROCIAVKID-SGTLLEGYSA-N 458.858 2.473 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1812868640 CSPMAXDDGHRMPS-IOQKZYTHSA-N 499.527 2.117 10 20 JECD Cc1nccn1CCCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1813360157 VZIKEVVDIKRNAR-WZONZLPQSA-N 464.526 2.193 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)[C@@H]1c1cccnc1 1814186076 WUTPKAQPJPIQNQ-WRWLIDTKSA-N 458.609 2.304 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C(F)(F)C(F)F)n[nH]1 1815544844 ZCTOAHWYQQOZNZ-VIFPVBQESA-N 467.470 2.163 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)[C@@H]1CCCO1 1822158934 ZTMXPOQLAXJJMF-MOPGFXCFSA-N 450.499 2.374 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1823794915 UFSAWHFAMBVDDF-VGKNGNLDSA-N 473.570 2.351 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)c3ccccc3Cl)CC2)CC1)c1cc(O)nc(O)c1 1834988098 DDCFWEQICOVYBV-JOCHJYFZSA-N 488.972 2.065 10 20 JECD CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)C1CC1 1843361157 GHJMDGNOKKVCSH-RQMBKDMJSA-N 487.553 2.323 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)C1 1846357266 CCDQTWKSYBVBJH-NVXWUHKLSA-N 474.558 2.393 10 20 JECD C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@@H](C)O1 729600354 XYPZHEOYNFWOQR-ZNTQHIFFSA-N 457.619 2.172 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)Cc4ccccc4F)CC3)CC2)cc1 742940386 RTEVWPDCFMMEGW-UHFFFAOYSA-N 483.588 2.053 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N[C@H]3CCN(Cc4ccccc4)C3=O)CC2)cc1 744878523 ZJPZBDNQJHKWDP-DEOSSOPVSA-N 465.598 2.308 10 20 JECD CCOc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1S(=O)(=O)N1CCOCC1 915335766 OMVNIHHXRUEBNM-UHFFFAOYSA-N 462.572 2.494 10 20 JECD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 917512845 HQMVXBBLZQLONU-HDICACEKSA-N 466.629 2.267 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(Cc4cn5ccccc5n4)CC3)cc2)C1 918117172 AHRNBZNNFYHBNK-OAQYLSRUSA-N 475.597 2.063 10 20 JECD COC(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 918287069 NRWHNEBPRSCALG-IYBDPMFKSA-N 473.501 2.246 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1cc2c(cc1Cl)OCCO2 918437799 BDKCPSPHQDBDEA-UHFFFAOYSA-N 463.893 2.466 10 20 JECD CC(=O)Nc1ccc(OC[C@H](O)CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 920092189 MLIOWLBNCHBXBN-JOCHJYFZSA-N 494.571 2.430 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)N(C)Cc3nc(O)c4ccccc4n3)CC2)cc1 920252486 KNTIYGANFKRNPX-QXMHVHEDSA-N 461.522 2.207 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1)c1ccc(N2CCOCC2)cc1 920924664 CWHZHYLRJFUCTE-KRWDZBQOSA-N 452.511 2.291 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1n[nH]c3cc(Cl)ccc13)C2)c1cc(O)nc(O)c1 1777852893 ZLBUNPJBPDFKKI-NTKDMRAZSA-N 499.955 2.393 10 20 JECD Cc1ccc(C)c(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c1 1781862197 ROILAWQAIJETDR-CJFMBICVSA-N 453.539 2.480 10 20 JECD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)[S@](=O)c1ccccc1 1782684346 DCQWKZWALZJQSV-JYKRTRMWSA-N 492.981 2.391 10 20 JECD CC(C)n1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1C(=O)O 1794758188 CENSNSCVZSDWDH-SEDYWJOHSA-N 484.509 2.244 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cccnc1-c1cc(F)cc(F)c1 1796037279 CWFIONPMQCRFEP-MFKICJERSA-N 496.470 2.350 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccco1)C2 1796307413 IGPSZISWDOTGDP-BAYUQKDNSA-N 498.580 2.201 10 20 JECD O=C(Cc1cccc(F)c1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1806551636 XSKGUPVENHZRRJ-VGOFRKELSA-N 486.594 2.330 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807993186 FOKKNKBEMNEQSH-CEQIKUNHSA-N 499.568 2.368 10 20 JECD O=Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)s1 1807993369 JCDSJOCHGRGKCM-XOBRGWDASA-N 452.492 2.395 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)CC2)C1 1810550181 CTTQMJGFYYGCSY-QYBDOPJKSA-N 476.533 2.248 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccn(C(F)F)c1=O 1810604048 PBIYSRHZOHHMTL-AUUYWEPGSA-N 485.447 2.078 10 20 JECD C[C@](O)(C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)C(F)(F)F 1814162683 VECBVQLVNRSHLD-WTFUGHNRSA-N 495.454 2.231 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)COCc2ccccc2)[C@H]1c1cccnc1 1814185562 CPUQVWVDBMGVLS-XXBNENTESA-N 498.630 2.165 10 20 JECD CN(C)C(=O)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1814564224 YIUJTWBHJMZPOD-AWEZNQCLSA-N 464.910 2.051 10 20 JECD COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)c([N+](=O)[O-])c1 1823102154 VIBOSJIDUGNQBH-ZDUSSCGKSA-N 499.505 2.335 10 20 JECD Cc1ccc(C(=O)C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)cc1 1825840170 VQEDOXZNYYBFQQ-AWEZNQCLSA-N 452.492 2.366 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3c(c1)COC3)CC2 1828244487 IYMUUNXRJMVUAX-AWEZNQCLSA-N 488.616 2.259 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828247601 ZTKKBTYBAMSUCF-CHWSQXEVSA-N 490.632 2.383 10 20 JECD O=C(c1coc(Cl)n1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896879 SJCRCSNJSXQBHU-CQSZACIVSA-N 471.004 2.422 10 20 JECD COCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1835234971 DEYJPWFKFHMNOF-RUZDIDTESA-N 455.555 2.201 10 20 JECD Cc1cc(Cl)c(Cl)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836418913 GUYSAAIZOYZLSK-JOCHJYFZSA-N 496.347 2.492 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccnc(Cl)c3)CC2)CC1 1837468009 MJCMDNDJPJLKSX-UHFFFAOYSA-N 460.918 2.467 10 20 JECD CC1(C)CCC(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)CC1 1839230353 QYFUPRXHBGUKAZ-XMMPIXPASA-N 461.559 2.169 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4)C3)C2)cc1 1839348557 FNRIMFAPRRPPDT-MHZLTWQESA-N 480.609 2.260 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)cco4)C3)C2)cc1 1839349018 ZQOIFHDUNGGOSL-HHHXNRCGSA-N 491.544 2.431 10 20 JECD COc1ccc(/C=C/C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(O)nc(O)c2)c(OC)c1OC 1847646061 OSOUILRYCHRONC-DGDBIBOCSA-N 469.494 2.047 10 20 JECD COc1ccc(N2CCN(C(=O)CSc3nnc4n(C)c(=O)c5ccccc5n34)CC2)cc1 27816029 SUWTWFSOKNLTGX-UHFFFAOYSA-N 464.551 2.031 10 20 JECD C[C@]1(c2ccc(CNC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)NC(=O)NC1=O 726282732 QYHADDXOPUWYNU-YADARESESA-N 452.511 2.338 10 20 JECD O=S1(=O)CCN(c2ccc(CNS(=O)(=O)c3ccccc3OC(F)(F)F)cc2)CC1 726975514 CYVYIJDMMRUGHE-UHFFFAOYSA-N 464.487 2.299 10 20 JECD COC(=O)Cc1sc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)nc1-c1ccccc1 727249866 JOZLNRVGVVYPEH-UHFFFAOYSA-N 456.509 2.302 10 20 JECD COc1ccc(N2CCN(C(=O)C[S@](=O)Cc3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1 729876345 HRCODGUJUAKLNZ-UUWRZZSWSA-N 484.534 2.071 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cc(F)ccc3OC[C@H]3CCCO3)cc2)C1 730911659 MGDAKDMFJZZQLN-WIYYLYMNSA-N 498.555 2.340 10 20 JECD Cc1ccc2c(c1)N(C(=O)C(=O)NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)CC2 746989580 MHKVIHKINPMKDP-UHFFFAOYSA-N 474.540 2.456 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3cccc(N4C(=O)CCC4=O)c3)CC2)cc1 758163263 PQFIXZJLUFBINY-UHFFFAOYSA-N 450.539 2.291 10 20 JECD COCCCn1cnnc1SCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917159426 ZLGLJPQETWFUPU-IYBDPMFKSA-N 451.568 2.476 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H](CO)NC(=O)c2ccccc2)c(C)n1-c1ccc2c(c1)OCCO2 917502227 KFEKBKWTWNBISM-OAQYLSRUSA-N 478.501 2.382 10 20 JECD CC(C)[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)N1C(=O)c2ccccc2C1=O 917832541 ACYNMDUZEJVUQL-XMSQKQJNSA-N 462.550 2.325 10 20 JECD CCCNC(=O)[C@H]1CN(C(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)c2ccccc2O1 918307538 XULOATXPWUJEBZ-JOCHJYFZSA-N 452.555 2.422 10 20 JECD CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 918461772 LCJYNZBLBQJHHW-UHFFFAOYSA-N 495.624 2.444 10 20 JECD CN(Cc1ccccc1Br)C(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O 920637237 BXBBYTMOOCAUCG-UHFFFAOYSA-N 471.329 2.342 10 20 JECD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 920882001 UKYWLQYAFGWHDY-SSOJOUAXSA-N 466.538 2.176 10 20 JECD NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 920938595 OMYGHOHLBHQBQV-QFIPXVFZSA-N 455.534 2.434 10 20 JECD CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781755198 HCYMEICCDOFNJS-CLOONOSVSA-N 452.555 2.062 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1782004475 WHTBNPSTQULFBO-XXBNENTESA-N 474.897 2.035 10 20 JECD CC(=O)Nc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)ccn1 1787774331 UKMRDALDGRGHTA-QOKNQOGYSA-N 488.928 2.012 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3cc[nH]c13)C2)C1=NN(c2ccccc2)C(=O)C1 1796479586 JYXADCBPZUPCKQ-FEJSZKPUSA-N 471.517 2.164 10 20 JECD Cc1cccc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)[nH]c12 1797372680 ZXPXDOKDURICSE-HBNMSFMJSA-N 485.544 2.472 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3nccc-3c1)C2)c1cc(O)c(O)c(Cl)c1 1799768048 FYIKWRMZDQIJOS-JLVBRIDZSA-N 456.886 2.096 10 20 JECD CO[C@H](C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2)N(C)C(=O)OC(C)(C)C 1799955167 CCXGQRICEKGMQI-RGCXKDKSSA-N 492.573 2.015 10 20 JECD Cc1cc(C)n2ncc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c2n1 1807996489 TVRBLCLGXYADDY-JTSKRJEESA-N 487.520 2.181 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCN(C(=O)CNC(N)=O)[C@H]2c2cccnc2)cc1 1811273244 OLVVZYMBRWMZNH-QPPBQGQZSA-N 474.565 2.477 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccc(=O)oc2)[C@@H]1c1cccnc1 1814162601 NEPZEOQEFGQDRQ-VTDTYKJDSA-N 477.473 2.185 10 20 JECD CCOC(=O)/C=C/C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814163048 WVNCBCLVFAJXQE-LIFAFCLBSA-N 481.505 2.037 10 20 JECD CCOC(=O)O[C@H](C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814165623 JHZLQCAIBQYYJS-BMCIFCANSA-N 499.520 2.479 10 20 JECD Cc1cccnc1CCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814185190 MTVPMKGMAYTXDG-JPYJTQIMSA-N 497.646 2.284 10 20 JECD C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814191597 LYZAYHDLEVXXNU-KUDFPVQQSA-N 486.619 2.420 10 20 JECD O=C(COCc1ccccc1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722018 AUIHCVIQFQDJMX-HNNXBMFYSA-N 454.508 2.392 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)no2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146839 INNNYFSOBPRZIT-INIZCTEOSA-N 463.454 2.202 10 20 JECD Cn1ccc2c(O)ncc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cc(O)nc(O)c3)CC4)c21 1821177803 HIXWEBKBJGUUOZ-NSHDSACASA-N 480.506 2.081 10 20 JECD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1)n1cnnn1 1821295209 IHVGIFVBHRFCJY-IINYFYTJSA-N 460.882 2.028 10 20 JECD COC(=O)CSCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823707850 CXWBHRVUECWDOD-SNVBAGLBSA-N 485.971 2.340 10 20 JECD CC(=O)N/C(C)=C/C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823712629 SHZISHDPRWOEQK-BIPYJSMBSA-N 464.931 2.473 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)Cc2ncccn2)CC1 1825322211 VLGHHAOSCIIRQY-ZLQZBKBYSA-N 466.538 2.469 10 20 JECD Cn1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)n1 1832876213 FTWFBFUQHVYNGF-ZLQZBKBYSA-N 454.527 2.484 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncccn2)CCO3)cc1 1834296978 SJDLXYCRUODCBI-SANMLTNESA-N 475.549 2.268 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4c(Cl)cccc34)C2)C1 1836418865 BXTOYDXPDISLSR-HSZRJFAPSA-N 486.912 2.011 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)[C@H]1CC1(F)F)C2 1844251597 KFDYRNKLLZIZOP-CVEARBPZSA-N 495.523 2.392 10 20 JECD COc1c(Cl)ccnc1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1844794609 USEFJNOUHPQTQS-GQCTYLIASA-N 459.886 2.391 10 20 JECD Nc1c(C(=O)OCC(=O)NC(=O)NCc2cccs2)ccc2c1C(=O)c1ccccc1C2=O 16578850 IDZDMBPXPDMIPS-UHFFFAOYSA-N 463.471 2.289 10 20 JECD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 490065534 GFGPLMQQASWXFK-UHFFFAOYSA-N 487.603 2.222 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3CC(=O)N(C4CCC(C)CC4)C3)CC2)cc1 731383831 SKCZTVPELROQOI-SCCNAQOGSA-N 457.571 2.314 10 20 JECD CN(CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Cc1cccnc1 777652361 LHQMPTLOFBYHLR-VXLYETTFSA-N 470.576 2.260 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(OCc4noc(C)n4)cc3)CC2)cc1 825275388 KEJXJFJHQQXNPZ-UHFFFAOYSA-N 466.494 2.471 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)Cc3csc(NC(=O)c4ccco4)n3)CC2)cc1 917348648 QGLKWGJVMVEFKF-UHFFFAOYSA-N 484.534 2.432 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 917753944 PZVSGWJHXQBFNJ-UHFFFAOYSA-N 473.598 2.034 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 917832828 HKDOHRSYEOZWPB-HXUWFJFHSA-N 472.611 2.349 10 20 JECD COc1ccc(N2CCCN(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 918002240 WTRFKDUGWQOGBP-UHFFFAOYSA-N 488.610 2.138 10 20 JECD COc1ccc(OC)c2c1CN(C(=O)NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)C[C@@H]2O 918117073 GEMYHNGPRPBVRA-XLIONFOSSA-N 468.554 2.164 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918791224 IQGIWFSDPYNRNK-KURKYZTESA-N 471.529 2.417 10 20 JECD CCCc1onc(C)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777848248 NCLGGPNFNRQSGH-UZUQRXQVSA-N 458.515 2.183 10 20 JECD COc1ccccc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1784267876 WFRREOGDOVDIQK-HOLKKMFOSA-N 496.560 2.438 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1)CCO2 1785539745 HBDQOLXNJHCUTC-JLHGSKIFSA-N 494.038 2.134 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccnc2ncccc12 1790402707 YHXUCSXFEREPAO-HYVJGQCMSA-N 498.543 2.016 10 20 JECD C[C@H](N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)C1CC1)c1ccccc1 1790707037 CMBMXWDTSQVNFG-DPCCHVQVSA-N 494.592 2.216 10 20 JECD COc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cc1 1792218845 UMGCJKPUUXIECX-MVFNNSGXSA-N 496.560 2.438 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3ccnc4c3OCO4)CCC2)cc1 1792315055 ZDKQTFMERTWWJB-UHFFFAOYSA-N 484.559 2.418 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccn1)C2 1796748769 JQWUBUHWQNBSJL-CIAFKFPVSA-N 496.612 2.240 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1c(F)cc(Cl)cc1Cl 1799667559 KPMXGFAPKQOWTN-XGISUXEOSA-N 470.284 2.456 10 20 JECD O=C(CCc1ccc(F)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1800798210 LENOTQYLSQZXFA-PBLLCEDASA-N 470.497 2.178 10 20 JECD CC(C)(C)c1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)ccn1 1804330827 KBQUJEKSZAMISZ-MUJYYYPQSA-N 460.625 2.491 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cccs1 1805392535 PBVIZBFWGJYJHC-RDTXWAMCSA-N 460.606 2.323 10 20 JECD CC(C)n1nccc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807995302 PCTBTOPGZVCUJR-HRAATJIYSA-N 450.499 2.299 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1808001279 SXPKHBJASUXIPA-BVZALQNUSA-N 461.522 2.481 10 20 JECD CC(C)(C)NCC(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1809730420 LVLBAPTZXIWXMC-UHFFFAOYSA-N 453.587 2.399 10 20 JECD CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811811050 YYMZYPWDXYLDJA-LIVBEALHSA-N 472.929 2.087 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)[C@H]3CNc4ccccc43)sc2C1 1815037755 PADZSWFHTSIMMO-AAEUAGOBSA-N 487.632 2.125 10 20 JECD O=C(CCn1c(=O)oc2ccccc21)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816721412 KHWWVSUEEXEPHJ-ZDUSSCGKSA-N 495.517 2.173 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccn2ccnc2c1 1819101025 HHXAMCVBBXABHO-OAHLLOKOSA-N 483.579 2.224 10 20 JECD CN1CCCC[C@@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1822587167 AQJPNTIULRGAAJ-HNAYVOBHSA-N 480.594 2.332 10 20 JECD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)n1cnnn1 1822860882 YPHLLFMGBJBXRX-HZMBPMFUSA-N 460.882 2.028 10 20 JECD Cn1cccc1C(=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1822872529 HLDVZZQSMINBPR-XAVKZTDYSA-N 479.493 2.453 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3nonc3c2)[nH]n1 1823498376 QBZWMTNJVFAQLH-HNNXBMFYSA-N 485.551 2.112 10 20 JECD CN[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1)C(=O)O 1826944449 CLGRISVSAVGVIP-IRXDYDNUSA-N 467.950 2.047 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)n[nH]2)CC1 1827004129 FDNTXHWVXMBJSH-UABRLCRWSA-N 456.499 2.179 10 20 JECD O=C(CCCc1cccnc1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1827103095 JICREOHCKKCJQS-CQSZACIVSA-N 489.648 2.333 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccnn23)CC1 1830845986 JHSFVZWVIKKPEC-SFHVURJKSA-N 485.635 2.428 10 20 JECD CC(=O)N[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)C(C)(C)C 1832896492 JRIANZJKRIFQND-YLJYHZDGSA-N 496.699 2.017 10 20 JECD O=C(/C=C/c1cccs1)N1CCOC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1836526048 KQXWCVCQIBSVPR-REJWQLKLSA-N 494.573 2.011 10 20 JECD CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C(=O)N3CC4(CCCN4C(=O)c4cc(O)nc(O)c4)C3)[C@H]2C1 1843251140 ZKGGUBXBDPJEQT-NJAFHUGGSA-N 486.569 2.203 10 20 JECD CCOCCC(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331527 FZHVLZJQLMDNAF-HXUWFJFHSA-N 474.602 2.335 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)C2CCN(c3ccccn3)CC2)C1 1845031786 HJWKQCWIPHLNBR-UHFFFAOYSA-N 486.576 2.294 10 20 JECD Cc1cc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)on1 1848100274 HTYZMILGPXXJEG-FSSWDIPSSA-N 497.596 2.446 10 20 JECD O=C1C[C@H](N(C(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)C2CC2)C(=O)N1 726942467 GKDCJXAFPJCMRU-PZMUVPOTSA-N 494.392 2.056 10 20 JECD COc1ccc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)cc1Br 727177214 DRJGGHASHOWDNA-WQLSENKSSA-N 451.389 2.208 10 20 JECD CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NCc3ccc(N(C)C)cc3)cc2)CC1 728064255 YGMMYRLKZWPCKD-UHFFFAOYSA-N 467.614 2.337 10 20 JECD NC(=O)C1CCN(c2ccccc2NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 749029669 KUMHESUJJIEHSF-UHFFFAOYSA-N 481.622 2.196 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3cc(S(=O)(=O)N(C)C)ccc3F)CC2)cc1 843443783 QITZQSDXGGRZHM-UHFFFAOYSA-N 478.590 2.027 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 917759104 DXPRMWQWUUXWNZ-UHFFFAOYSA-N 462.524 2.169 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(C(=O)c4ccsc4)CC3)CC2)cc1 918058864 YQNYOACGLAAAQD-UHFFFAOYSA-N 471.627 2.436 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N3C[C@H]4CCCN4c4ccccc43)cc2)C1 918466014 WAKBZTPNDGDIMR-PZJWPPBQSA-N 461.566 2.020 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCN3C(=O)c4ccccc4C3=O)cc2F)C[C@H](C)O1 918791692 UXKLKODWXUZOGV-IRXDYDNUSA-N 497.523 2.285 10 20 JECD COc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)ccn1 1779716171 SQNSSTFVHRQDOQ-QFQXNSOFSA-N 491.548 2.011 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCn4cncn4)CCO3)C2)cc1 1781755835 UTCLPCUHXBJDIJ-RUZDIDTESA-N 462.554 2.219 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cc(Cl)nc3n[nH]cc13)CCO2 1782000931 FYKNORYBCVTUAU-NRFANRHFSA-N 492.319 2.433 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cc(F)ccn1)C2 1783218712 YLTFLWXQLLZFJT-XRIJPKSZSA-N 499.539 2.497 10 20 JECD COc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1785017749 PIZUOQJFCFUWCL-CMEAPCDJSA-N 472.469 2.108 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4nc(N)n[nH]4)C[C@@H]32)cc1 1790126921 VUSBCTUEIYVFDX-BVSLBCMMSA-N 491.596 2.021 10 20 JECD COc1ccc(OC)c(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)c1 1795799542 DCJDNVUCMMGOEU-BCDXTJNWSA-N 455.511 2.395 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(F)(F)F)cc1F)C2)c1cc(O)nc(O)c1 1796140586 UHOWPCHUOOCOMP-KSPBDQMDSA-N 469.391 2.168 10 20 JECD CCn1nc(C)cc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807983489 KXEOBLCEFTZGMJ-KKSFZXQISA-N 450.499 2.046 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2n[nH]c(C3CC3)c2F)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991019 MMNFCMDVXAZXEF-SZNDQCEHSA-N 466.473 2.261 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)C1 1807996530 UQDVZAFQODXAGM-IIBYNOLFSA-N 497.552 2.074 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCCC3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996592 WGOYGBAHLLQTGL-AOMKIAJQSA-N 462.510 2.054 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)[C@H]1Cc2ccccc2O1 1809588683 SRIZESKHCDLNOF-WGGBDISSSA-N 460.490 2.211 10 20 JECD C/C(=C/C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)C(=O)O 1811813701 VMEXXKCNZJPLEU-ZNNASRJFSA-N 459.886 2.497 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1O2 1812893160 DXHTUZTZCVTMKM-WECWAZGBSA-N 479.533 2.485 10 20 JECD Cc1nnc(CC(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)s1 1814163998 OZUSNLWPEWDSFP-CJOSSSAMSA-N 495.561 2.320 10 20 JECD O=C(COc1ccccc1F)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816729003 PCTLQVBPIWFHLZ-LBPRGKRZSA-N 458.471 2.393 10 20 JECD Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)ccc1O 1823328555 HWTWTDGCOFOPNU-LBPRGKRZSA-N 476.605 2.243 10 20 JECD Cn1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)n1 1823475570 XTGKRPMMFIJFGW-DBWMJRBXSA-N 466.498 2.208 10 20 JECD C[C@@]1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)CC1(F)F 1823501484 RFXCBGVTNIAEHG-GTNSWQLSSA-N 457.528 2.307 10 20 JECD O=C(O)CSCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823713161 FHNMYIJGWWFVJC-SECBINFHSA-N 471.944 2.251 10 20 JECD CO[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)c1ccccc1 1828242236 FOZWARUPIPOUQG-UGSOOPFHSA-N 490.632 2.303 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)c1)CCO2 1834184094 GUFUOICXJFRHPD-OAQYLSRUSA-N 482.320 2.183 10 20 JECD CC[C@H](C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836886863 MIVKBLRSTDMLTJ-MHECFPHRSA-N 484.597 2.185 10 20 JECD C[C@@H](Nc1nccs1)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031393 BQFJRMDJGPPDNG-CQSZACIVSA-N 475.571 2.062 10 20 JECD CCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1839348599 YPMAIDUJUZVFHL-RUZDIDTESA-N 455.555 2.201 10 20 JECD O=C(CCN1Cc2ccccc2C1=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441863 SEELKVYZVPJYGO-UHFFFAOYSA-N 485.544 2.029 10 20 JECD COc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1OC 1843442505 OBBMPSFUGYHHIX-UHFFFAOYSA-N 480.496 2.453 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)C(F)F)C2 1844251629 MTUYVLJSGCGGFD-CQSZACIVSA-N 469.485 2.002 10 20 JECD O=Cc1ccccc1-c1cncc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)c1 1845818600 FEXVXBIUVQRAFI-UHFFFAOYSA-N 494.598 2.238 10 20 JECD CCN(C(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)[C@@H]1CCS(=O)(=O)C1 10732464 SEJKKSTYOWVYGT-CYBMUJFWSA-N 489.933 2.308 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)cc2)C1 751348426 AEUAZNXPAYXVRG-LEWJYISDSA-N 488.592 2.433 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cn3cnc4c(oc5ccccc54)c3=O)cc2)C1 917832922 JPMLGYPUMWYTOZ-QGZVFWFLSA-N 459.506 2.161 10 20 JECD CC(=O)N1c2ccc(S(=O)(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2C[C@@H]1C 917930360 QYKYTFSDPFJCSS-QFBILLFUSA-N 470.595 2.164 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)cc2F)C[C@H](C)O1 918204902 CECUNYAAGHFKAA-ROUUACIJSA-N 497.571 2.011 10 20 JECD CCn1cnnc1-c1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 918283104 CCNGPCWRDSZQTP-UHFFFAOYSA-N 452.490 2.196 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1 918428934 CTMGUMWZXVPKCN-UHFFFAOYSA-N 451.571 2.175 10 20 JECD COc1cc(OC)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1Cl 918464554 WUOADNRLDKGYHN-HNNXBMFYSA-N 474.945 2.314 10 20 JECD Nc1c(C(=O)OCC(=O)NCCOc2ccc3c(c2)OCO3)ccc2c1C(=O)c1ccccc1C2=O 918848355 SWURQHPJXVSYRW-UHFFFAOYSA-N 488.452 2.125 10 20 JECD Cc1cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc(S(=O)(=O)N(C)C)c1C 919840012 NHOHIRNWNIGQGZ-UHFFFAOYSA-N 465.597 2.041 10 20 JECD Cc1cc(CN2CCCN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)no1 1318246085 NUAZMUSXBPZIIS-HXUWFJFHSA-N 454.575 2.102 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)n(-c2ccccc2)n1 1777848046 ICHHKONHFZBSCO-QFQXNSOFSA-N 491.548 2.428 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753877 SWUXSQIKRRCPGJ-FQRUVTKNSA-N 464.566 2.228 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)cc1 1781755034 DULVAPQFSMJHRW-XMMPIXPASA-N 471.579 2.355 10 20 JECD CC(C)(C)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)ccn1 1785558980 UFJJYQJCKHYTRL-SZMVWBNQSA-N 454.527 2.092 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c(F)c1 1787540129 HLHWTCIYRHUOIA-GRWTVWFQSA-N 494.523 2.221 10 20 JECD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)ccc1C 1792218309 RJMXOUJLKCNSPA-TZWPEZGDSA-N 482.533 2.427 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1cn2ccc(Br)cc2n1 1796600732 HHXZTXHRPDAKOO-QDMKHBRRSA-N 486.326 2.469 10 20 JECD COc1cccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c1C 1802055369 SPQLHVPGKHVGQS-BJWYYQGGSA-N 461.609 2.045 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2n[nH]c3ccccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996396 RDHOYAGZWVOZNV-QRQCRPRQSA-N 458.478 2.398 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)nn1C 1808464279 KGNZTYAGDWDODF-YADARESESA-N 485.548 2.236 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc2nc[nH]c2c1 1809826965 RJDALOQVGPZIFB-IIBYNOLFSA-N 494.602 2.138 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC2(CCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)CC1 1810426070 KFWKKRHLDSGNPP-UHFFFAOYSA-N 465.432 2.460 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cnccc1Cl 1810614987 CBGZERWDACTESB-AUUYWEPGSA-N 490.010 2.310 10 20 JECD CC(=O)Nc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1O 1812047751 CTCXGMGWIJRKDO-GAJHUEQPSA-N 491.504 2.185 10 20 JECD CC(C)OCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162958 ZUKKXBIEQKFBND-VSEMJTJDSA-N 455.511 2.343 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2nccc3[nH]ccc23)[C@H]1c1cccnc1 1814189563 SGVICGKBBWYANX-VFNWGFHPSA-N 494.602 2.138 10 20 JECD CN(C)c1cncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)c1 1816103336 RFVYMUVWPYUYCF-QGZVFWFLSA-N 451.487 2.297 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnoc1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817362894 YFBPPQMRRJVIDO-CYBMUJFWSA-N 450.480 2.150 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccn2nccc2c1 1819382347 YKQCKBRQJNIVDQ-CYBMUJFWSA-N 450.480 2.137 10 20 JECD Cc1cnn([C@H](C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c1 1822751270 KNKAQLHLXVRRAL-UKRRQHHQSA-N 475.600 2.028 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)sc2C1)c1cc(O)nc(O)c1 1823876155 QXWVUHVSWRXODO-SNVBAGLBSA-N 495.477 2.273 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncc[nH]2)CCO3)cc1 1833720404 IPGHKJHMLJJEQA-VWLOTQADSA-N 463.538 2.201 10 20 JECD O=Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)s1 1835946785 UZOBZMXFECXWCE-NRFANRHFSA-N 480.926 2.009 10 20 JECD CC(C)[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)NC(=O)OC(C)(C)C 1843250916 CDADXWHBZKWDIM-MRXNPFEDSA-N 462.547 2.249 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cccc(OC3CCOCC3)n2)C1 1844606626 JAVRCOHNWVCDIB-SOFGYWHQSA-N 495.532 2.287 10 20 JECD CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1846119115 WXZOMXDFHLSWGV-DBWMJRBXSA-N 499.564 2.277 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9720137 NWDXSSMUCQLHOO-UHFFFAOYSA-N 490.559 2.185 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 28495139 DKGRQAXXGGTDOS-QMPJNXRZSA-N 493.651 2.105 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 56966405 MWSRUTUHJKDQER-UHFFFAOYSA-N 466.460 2.471 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c1 729063663 KJFKEBDNJYZIKO-OAHLLOKOSA-N 491.566 2.400 10 20 JECD CN(C)c1ccc(CNc2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])cc1F 746720546 ABBSZNUPFDLQDP-UHFFFAOYSA-N 481.550 2.023 10 20 JECD CCOC(=O)N1CCCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 748310690 JZSKHKLJQHQZDM-QZTJIDSGSA-N 450.555 2.220 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 750353805 PKVJFSCYYNDFCI-UHFFFAOYSA-N 454.918 2.354 10 20 JECD COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CN3CCCc4cc(OC)ccc43)nc(=O)c12 796327235 UECFDEPKNWLETI-UHFFFAOYSA-N 457.508 2.448 10 20 JECD O=C(COC(=O)c1cccc(O)c1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 825177313 CDPYLPBNELYHOK-NVMNQCDNSA-N 486.527 2.295 10 20 JECD CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 914938257 RXMIJHBUYGMLTA-UHFFFAOYSA-N 465.547 2.394 10 20 JECD Cc1nc(COc2ccccc2C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)no1 916676611 MMHSEKUVUYRBDK-UHFFFAOYSA-N 456.524 2.122 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 917709345 VTXDCUJMZJWVMC-UHFFFAOYSA-N 451.495 2.172 10 20 JECD COc1ccc([C@H](CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)N2CCOCC2)cc1 918118519 TWFQYOHHCHPYAO-RDGATRHJSA-N 495.624 2.270 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(OCC(F)(F)F)nc1 918284375 CQCWWJQKWISUIY-UHFFFAOYSA-N 456.396 2.253 10 20 JECD O=C(Cc1cnn(-c2ccccc2)n1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919701184 NAMNLKOUFLIQQG-UHFFFAOYSA-N 472.528 2.382 10 20 JECD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc1OCC1CC1 1781884005 WMWXIPCNVJFMKY-RUZDIDTESA-N 483.521 2.048 10 20 JECD O=C(c1ccc2n[nH]cc2c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003006 YTLFECJCCBKJGV-QFIPXVFZSA-N 456.886 2.385 10 20 JECD O=C(c1ccc2nonc2c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005637 SEGSNHIOFZHSPK-OAQYLSRUSA-N 458.858 2.045 10 20 JECD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc2c[nH]nc12 1782264183 ZXSRRPWSTZWOBV-YQVIQHHGSA-N 478.505 2.145 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4ccccc43)C2)C1 1784110180 NRSWJKXLVZGPMU-QJQSRUIBSA-N 464.518 2.377 10 20 JECD C[C@H](Cc1ccco1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510667 WTJUNHIKIAUJBJ-OZXWZZFLSA-N 456.495 2.118 10 20 JECD O=C(Cc1ccc2ncccc2c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1793624851 OUHJRHXEGZCEQB-GNDMWVOPSA-N 489.528 2.197 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](N)c2ccccn2)C3)cc1 1799619959 AHZHFWSJCHCJRI-RRJCBXKSSA-N 473.577 2.392 10 20 JECD Cc1cc(CCC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)ccn1 1804302003 RLYPCCDJKPVQID-AUSIDOKSSA-N 497.646 2.284 10 20 JECD COc1nccnc1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1804980666 MSMLAYKAVCWFHU-UDGCLTLRSA-N 491.504 2.030 10 20 JECD O=C(CC(=O)Nc1ccc(F)cc1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807224696 KFKFKSMCWSLUNT-VOIUYBSRSA-N 493.495 2.375 10 20 JECD COc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(O)c1 1807996114 YCOUASOTYKTWRD-NYHFZMIOSA-N 464.478 2.235 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc2n[nH]cc2c1 1808022802 XJOCLTMIGPXJEE-KKSFZXQISA-N 494.602 2.138 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1cnoc1 1808521690 NBJREBFZXXPCHN-VGOFRKELSA-N 458.478 2.182 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cnnc2ccccc12 1809134322 ZAXAHYADIBOEPB-WAIKUNEKSA-N 470.489 2.464 10 20 JECD C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1812762566 RMQMLGYIKSNORN-SGXKBVARSA-N 498.630 2.415 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cncc(O)c2)[C@H]1c1cccnc1 1814166225 NZHKLPJKJFPIRN-YEUXVMMMSA-N 476.489 2.332 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)c3cc4n(n3)CCC4)sc2C1 1819291586 GHUSOEBUDYVQEH-GBVBUYCNSA-N 481.534 2.342 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@H](O)Cc1ccccc1 1822079358 IITHCCAEDNWVLY-QZTJIDSGSA-N 451.483 2.125 10 20 JECD N[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)c1cccnc1 1826984816 AQQMXRPJDNTZIS-VQTJNVASSA-N 453.543 2.211 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3cnccc3[nH]1)CC2 1828244779 QRTYUANNCNVTQC-NSHDSACASA-N 486.604 2.106 10 20 JECD O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899577 KCAVNEFXYZZFPQ-CQSZACIVSA-N 480.568 2.281 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)[C@@H]1CCC=CO1 1835720844 VGTMSUUXILDKLK-QHCPKHFHSA-N 479.581 2.044 10 20 JECD Cc1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)ccn1 1839432415 MZOZMVUMIVVSBI-DEOSSOPVSA-N 489.956 2.157 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc31)CCO2 1840260994 JBEVVZPNRHMXFL-DHKGWFALSA-N 494.544 2.003 10 20 JECD CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)C1CC1 1843248992 ZGHCBODZVXZOCN-INIZCTEOSA-N 460.531 2.003 10 20 JECD CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(O)cc1 1843985278 RSBXMWOLIDECIZ-FQEVSTJZSA-N 498.536 2.281 10 20 JECD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846110900 AAKPVOBOTSDFMW-QGZVFWFLSA-N 486.569 2.347 10 20 JECD COc1ccc(F)cc1CC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037422 PIEMQELHZIFYJB-XBXARRHUSA-N 456.470 2.410 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 24192702 PFUUFHPOEFAVOA-IBGZPJMESA-N 451.523 2.306 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)CC2)cc1 726725798 ILOKCOXQEXUWRW-UHFFFAOYSA-N 488.610 2.448 10 20 JECD CN(CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)OC(C)(C)C 727862596 VJSVOQHNANHVSG-UHFFFAOYSA-N 458.538 2.425 10 20 JECD O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 750336018 XKISXZHPKRRQFX-UHFFFAOYSA-N 489.979 2.464 10 20 JECD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2nsnc2N2CCOCC2)cc1 914685726 OVKHIGXMNZUSAS-IBGZPJMESA-N 461.588 2.027 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 917709554 QOSAQLRMQQBMCH-UHFFFAOYSA-N 497.976 2.267 10 20 JECD CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 917834520 JYGRVILWOLHPII-QGZVFWFLSA-N 476.574 2.144 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(Cc4ccc5c(c4)OCCO5)CC3)cc2)C1 918118919 WBVSZDITCIWZFJ-QFIPXVFZSA-N 493.608 2.187 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 918245779 FTVVANUIWUDUHI-QFIPXVFZSA-N 450.539 2.176 10 20 JECD Cc1cccc2c(=O)n(CC(=O)OCC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cnc12 919026837 CIJGVCDHCURLTN-HDICACEKSA-N 496.539 2.317 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NCC(=O)N1CCCC1 1326361404 CLONZIBCLRSEIP-ZROIWOOFSA-N 468.398 2.389 10 20 JECD Cc1nc2ccc(F)cn2c1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1782306463 FNUOKAGWWZMTFP-UDFXQGOISA-N 496.495 2.056 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c(C)o1 1785991903 BESCNTNMUVYABA-XJABCFGWSA-N 464.522 2.283 10 20 JECD CN1CCCC[C@@H]1C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1786148322 OUZDDJNDWBPXGK-QGZVFWFLSA-N 460.625 2.465 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(c4ccccc4)CC3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787538796 MFKAZRVNDLFHGT-APTRMMRNSA-N 486.572 2.491 10 20 JECD C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1791678913 IQJUBRMRSAEQKQ-CFFRYYMNSA-N 478.549 2.231 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc(C(F)F)no1 1795916162 JNOOMXPIKZWDRF-KEODLESXSA-N 457.817 2.194 10 20 JECD Cc1cccc(-c2cnccc2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)c1 1796000432 NICRLIPBZQOTRW-NHKMSHSESA-N 474.517 2.380 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc2c[nH]nc2c1 1796168490 YIOHCMCRHJAEGZ-CCWDJLKJSA-N 456.886 2.145 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)[C@@H]1CCCN1C(=O)c1ccc(F)cc1 1796600755 ABVDGEDLZVWUCV-YRPNKDGESA-N 482.512 2.189 10 20 JECD CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1804395919 SBTLPNAKHHWIDA-ZPUCZNJJSA-N 472.542 2.143 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1cccc(=O)n1O 1804951779 KCVMNLHSBBYPAE-JLTOFOAXSA-N 484.896 2.179 10 20 JECD COc1ncccc1CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807994426 WZAQULVZXPULKI-FDDCHVKYSA-N 477.521 2.244 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1c[nH]c2nccc-2c1 1808077598 JIDPDJSUICYXKX-IIBYNOLFSA-N 458.478 2.349 10 20 JECD COC(=O)CSCC(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811796526 IWOFTOQKJKHTGM-JLTOFOAXSA-N 493.969 2.372 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc2cccnn2c1 1812188313 BGNLMRAFJAGSDO-AOMKIAJQSA-N 458.478 2.169 10 20 JECD CCO/C=C/C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813248017 FVERWINKVDYAGH-DFQAGQQESA-N 461.522 2.431 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccn2)[C@H]1c1cccnc1 1814189776 YGDRKDKJJFHVAY-LIRRHRJNSA-N 490.010 2.310 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccccc2)[C@H]1c1cccnc1 1814190252 VBNXVFXLXHZWQP-PXNSSMCTSA-N 454.577 2.262 10 20 JECD CC(C)NCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1815263123 FKBCJUMCFKXHCL-OAHLLOKOSA-N 468.583 2.236 10 20 JECD O=C(CCc1ccco1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815936289 JLTJWASPUFACJN-OAHLLOKOSA-N 461.569 2.488 10 20 JECD Cc1ccnc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c1 1818194571 SVCHIEMDAFXEDE-HNNXBMFYSA-N 458.569 2.279 10 20 JECD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822357458 JKYWFSLLWTZIEW-ZMSDIMECSA-N 469.498 2.277 10 20 JECD O=C(CCN1CCOC1=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716204 FKMWCXXAETWQRD-QFIPXVFZSA-N 495.580 2.241 10 20 JECD CC(C)c1cc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)on1 1828247604 ZTLUORQJCYNRQS-JTQLQIEISA-N 479.609 2.341 10 20 JECD O=C(C1CCC(CO)CC1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896279 BDDAGPSUZHVMMM-NKELODKYSA-N 481.684 2.265 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1ccc(F)nc1 1835885656 MWWUKINVMOFKTA-ZZXKWVIFSA-N 484.528 2.236 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCOC2)CCO3)cc1 1840538605 MGKOFRQHRICCAD-ATIYNZHBSA-N 467.566 2.201 10 20 JECD C[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccccc1 1840881130 DVFJPRBVLNPUSZ-NYYQPMLUSA-N 496.560 2.467 10 20 JECD Cc1occ(C(F)(F)F)c1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1843535158 VBTDEJJYCIVOMY-UHFFFAOYSA-N 461.487 2.284 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@@H](C(=O)N1CCCC13CN(C(=O)c1cc(O)nc(O)c1)C3)C2 1845079309 DBRSOVHNCYHDDS-NJAFHUGGSA-N 486.569 2.345 10 20 JECD Cn1ccnc1SCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 26900515 PKNHGFFTMUHVLK-OQLLNIDSSA-N 462.578 2.259 10 20 JECD NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)NCc3ccc(N4CCOCC4)cc3)c2)C1 731048497 WQTWXHQHLJZVOF-HSZRJFAPSA-N 465.598 2.220 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1F 731409674 XJIHUSSJXLOTDO-UHFFFAOYSA-N 456.518 2.399 10 20 JECD Cc1cc(CCNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)c(C)n1-c1ccccc1 914603137 NDEFOBISLHFDRY-UHFFFAOYSA-N 468.535 2.008 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3sccc3S(=O)(=O)N3CCOCC3)cc2F)C[C@@H](C)O1 917714422 VZONAQPZTJTBTB-IYBDPMFKSA-N 497.614 2.452 10 20 JECD O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918296715 ZLHDDFGRSOXVEH-HXUWFJFHSA-N 487.578 2.323 10 20 JECD CCC(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919700959 IXLYUIGVDLKSEB-IBGZPJMESA-N 454.550 2.207 10 20 JECD CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919761838 OLWCJYPSYKGPGV-UHFFFAOYSA-N 484.557 2.244 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 919799671 IQQNHAKENPOTTI-UHFFFAOYSA-N 479.472 2.105 10 20 JECD COCCN1C(=O)/C(=C\Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)C(=O)NC1=S 920979005 ZWRWKDUYTRQVSN-SQFISAMPSA-N 484.534 2.142 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1 1317730191 OGRZRVLEPIMOLM-UHFFFAOYSA-N 458.584 2.071 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO3)cc1 1781752978 YETVGOGVJWKALZ-IQGLISFBSA-N 487.622 2.218 10 20 JECD O=C(Cc1ccc(Br)cc1F)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783025563 AAQAUYIEPHGVKG-OAQYLSRUSA-N 494.317 2.081 10 20 JECD Cc1cc(F)cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1 1792217767 IDLCGUXAVOWXKH-PLPLBJBOSA-N 484.524 2.487 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(O)c3)C[C@@H]21 1792218175 SUWZNQRUXUHRAB-NLAISDGXSA-N 482.533 2.135 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)C(=O)Nc3cccnc3)CCC2)cc1 1792315200 PAOUACXBUPQJBA-UHFFFAOYSA-N 483.575 2.015 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(Cl)cccn13)C2 1802079958 ATDPZLVKRGXLMV-KSFLNHNRSA-N 498.923 2.021 10 20 JECD CC(C)OCC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1802654381 VOGQQPNFOXYYMQ-YADARESESA-N 463.538 2.305 10 20 JECD O=C(CCc1cn[nH]c1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1804499065 AKCPLLSPRKZESB-NBGIEHNGSA-N 485.548 2.236 10 20 JECD O=C(NCCC(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)C1)c1ccc[nH]1 1806981854 QEUUUGWHLMIMLA-FNORWQNLSA-N 496.564 2.196 10 20 JECD Cc1nc(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)c(=O)[nH]c1C 1807465338 FCDUCCVFCQWHBS-FNORWQNLSA-N 482.537 2.062 10 20 JECD Cc1onc(-c2ccncn2)c1C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810546614 LBVZQHATXJQFAY-UHFFFAOYSA-N 478.509 2.405 10 20 JECD O=C(CN1CCCCC1=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1812975047 GJJJOFPLYSHLMI-KSFYIVLOSA-N 486.956 2.478 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CCc2cnccn2)[C@@H]1c1cccnc1 1814166698 TUFOCCXANOWTEI-UZZVCIJHSA-N 489.532 2.340 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)CCc2ccco2)[C@@H]1c1cccnc1 1814184805 GQKQFADTWYNOSJ-HRAATJIYSA-N 472.592 2.174 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814189647 VBLJCEXUSAFTGZ-HSSOGYSNSA-N 460.625 2.384 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1nnsc1C1CC1)CC2)c1cc(O)nc(O)c1 1816724753 GOZVUCYANQZFPE-SNVBAGLBSA-N 458.525 2.218 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cn3ccccc3n1)CC2)c1cc(O)nc(O)c1 1816725312 NPXDBFNNAPAEQR-LBPRGKRZSA-N 450.480 2.137 10 20 JECD N[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)c1cccnc1 1817844741 JFGSCUVDYADRJG-NVXWUHKLSA-N 451.487 2.007 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3nc4ccccc4[nH]3)sc2C1 1818058695 DVLMRJNOZDWHJP-SNVBAGLBSA-N 486.604 2.106 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3c[nH]c4cnccc34)sc2C1 1819418435 IEDSHBGCZIZOSC-JTQLQIEISA-N 486.604 2.106 10 20 JECD Cc1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823498218 NZNYSZSLHOERAR-HNNXBMFYSA-N 458.569 2.279 10 20 JECD Cc1nc(F)ccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823499865 BXPNDJQHSUUVJU-CQSZACIVSA-N 476.559 2.418 10 20 JECD COC(OC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714515 DEGFZWXNIOGFTI-FQEVSTJZSA-N 456.543 2.018 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3ccccc3n1)CC2 1828244450 HBRAPFUVSTXFGU-LLVKDONJSA-N 498.615 2.172 10 20 JECD CC(=O)O[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)C(C)C 1828772745 DVFBIHAAOYDCAA-XLIONFOSSA-N 483.656 2.054 10 20 JECD CC(C)(C)n1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)nn1 1829786472 GNQQKGYXZKNUSN-SFHVURJKSA-N 456.547 2.386 10 20 JECD Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1C 1832406553 SINOIKALWNBOEK-PMHUYKBPSA-N 496.560 2.133 10 20 JECD O=C(CCN1CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898207 GGLGDCBTXGWCKR-IBGZPJMESA-N 480.700 2.342 10 20 JECD Cc1ccc(OCCC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1833182582 CAJXBDFQLQNYHO-UHFFFAOYSA-N 482.581 2.456 10 20 JECD Cn1cc(-n2cc(C(=O)N3CC4(CCCN4C(=O)c4cc(O)nc(O)c4)C3)c3ccccc32)cn1 1843249963 VQMRVFLSUSTGBQ-UHFFFAOYSA-N 472.505 2.301 10 20 JECD CN(CC(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1)C(=O)OC(C)(C)C 1845501069 WADDRRGSWSXZIF-UHFFFAOYSA-N 453.923 2.435 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCC(C(F)(F)F)CC1 1847988893 CQQJUFKXMPQTMH-HOAMVYINSA-N 463.547 2.417 10 20 JECD COCCN(C(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 23237491 BZPVTCZTRCPKPP-VQTJNVASSA-N 493.651 2.483 10 20 JECD CN(C)c1ccc(CNC(=O)CN2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)cc1 23292697 TYGSXIKJCBNUHB-UHFFFAOYSA-N 494.665 2.363 10 20 JECD COc1ccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1C(N)=O 726601299 NRHFADIPLCFIGV-UHFFFAOYSA-N 455.483 2.343 10 20 JECD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 747572855 CQMIPRWEFIOLRK-IBGZPJMESA-N 466.003 2.442 10 20 JECD CN(CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Cc1cccnc1 777652359 LHQMPTLOFBYHLR-GRSHGNNSSA-N 470.576 2.260 10 20 JECD C[C@@H](OC(=O)Cn1c(=O)nc(O)c2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 809006718 IPJNPOBYAQZSIL-CQSZACIVSA-N 497.463 2.448 10 20 JECD CCOCCCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 918224188 NCHNTIIWDDADAW-UHFFFAOYSA-N 450.555 2.127 10 20 JECD CCOC(=O)C1CCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 919783717 KFBZROQFOSWTOM-UHFFFAOYSA-N 470.549 2.427 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3nc(S(C)(=O)=O)n4ccccc34)cc2F)C[C@H](C)O1 921165138 LLUZJYUFCRVHHY-GJZGRUSLSA-N 460.531 2.421 10 20 JECD NC[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1)c1ccccc1 1783222324 LXCOWDDXRDCBJM-VJPVBREVSA-N 495.576 2.073 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(Cl)c(F)c3)C[C@@H]21)c1cc(O)nc(O)c1 1787292456 RQOQXCUMASOOBZ-YEWWUXTCSA-N 463.893 2.121 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccn2nccc2c1)C1=NN(c2ccccc2)C(=O)C1 1798227679 RLEBLNJLJRFMST-ZHPFXUNLSA-N 456.506 2.379 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc2ccsc2[nH]1 1799940079 NBYQEPQPTHWOJQ-VPTLXERWSA-N 477.546 2.226 10 20 JECD COc1ccc(Cl)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1801663179 PBECTPQDKCICFL-RSQQPWMTSA-N 496.951 2.345 10 20 JECD COCCOCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1806757988 FCBWJDUXSJDFGL-QRWLVFNGSA-N 463.918 2.129 10 20 JECD Nc1ccccc1/C=C/C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1807221701 VLOLTKLJYLSPPV-MPAHJKEMSA-N 495.630 2.243 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc3nc[nH]c23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995488 ZJLLNWNAFAXYAP-NYHFZMIOSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1nccc2[nH]ccc12 1808096293 WYEKMBKOGAKCST-QVKFZJNVSA-N 494.602 2.138 10 20 JECD C[C@]1(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)CCCN1 1808469326 LOYFUEFBAFVOCG-GVCORALISA-N 474.565 2.022 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cccc2c1OCC2 1809003868 NRIMHHSIOBWCBF-UTKZUKDTSA-N 496.614 2.196 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1nc2ncccn2n1 1809229770 GBYRPHQAAVRFTC-RDTXWAMCSA-N 493.911 2.217 10 20 JECD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)no1 1813334472 HQKMYUJLYJBDAM-OYOQQZMJSA-N 478.505 2.457 10 20 JECD Cc1nccn1CC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814165357 FAMQTAAMLWVJMU-ADXKRPKKSA-N 477.521 2.123 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccnc(Cl)c2)[C@H]1c1cccnc1 1814186453 PGEOLRITYOYCOO-KXBFYZLASA-N 490.010 2.310 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3CNc4ccccc43)sc2C1)c1cc(O)nc(O)c1 1815032324 OQMWVTLFUIAMGT-JSGCOSHPSA-N 451.508 2.384 10 20 JECD Cn1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)cccc1=O 1816314826 CLEVOXTWLIPAMO-IBGZPJMESA-N 487.520 2.207 10 20 JECD O=C(CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)Nc1ccc(F)cc1 1816727244 IDSADEGKOBXCFF-CQSZACIVSA-N 485.497 2.343 10 20 JECD C[C@H](Nc1nccs1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1817220766 LVFGHZJMCDMPSQ-GXSJLCMTSA-N 460.541 2.132 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(=O)n1O)CC2)c1cc(O)c(O)c(Cl)c1 1823708145 NCUYKZBFFNVNKA-JTQLQIEISA-N 476.898 2.146 10 20 JECD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)C1(O)CCC1 1823739825 WDTDPJQTORVHAL-RDJZCZTQSA-N 467.657 2.018 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2CCCCO2)CC1 1824910739 IGASBQNXNPETLY-ZWKOTPCHSA-N 467.657 2.426 10 20 JECD CCCc1onc(C)c1C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828244363 CUMJZHGREKZLOK-NSHDSACASA-N 493.636 2.478 10 20 JECD CN(C)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1 1828246544 AUJHSYYOWWKVNJ-ZDUSSCGKSA-N 489.648 2.295 10 20 JECD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)n1 1829063760 QMNOBSURSHKONR-IBGZPJMESA-N 483.569 2.027 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1837340268 YHSXLGQARKAMNK-GYCJOSAFSA-N 489.956 2.322 10 20 JECD O=C(Cc1cc(F)ccc1F)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839435188 FFTXVRDPEGFRRK-HSZRJFAPSA-N 496.894 2.342 10 20 JECD CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1841521544 IBZBUDXLYGTDKL-SOFGYWHQSA-N 485.537 2.197 10 20 JECD COC(=O)c1ccc(CC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)cc1 1847037589 TVGNVOYTILAIKM-CSKARUKUSA-N 466.490 2.049 10 20 JECD O=C(COc1cc(Cl)ccn1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038810 PZKJGXIBKUSJLX-HWKANZROSA-N 459.886 2.147 10 20 JECD O=C(COC(=O)c1ccccc1-n1cnnn1)Nc1cccc2c1C(=O)c1ccccc1C2=O 9840551 HWTRPJPJPCLQKQ-UHFFFAOYSA-N 453.414 2.233 10 20 JECD O=C(O)/C=C/c1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 13190692 KNDRKXGACPISPS-SOFGYWHQSA-N 462.440 2.112 10 20 JECD COc1ccc(N2CCC(NC(=O)CN(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 110362738 BSPSBJAVRLEPTM-UHFFFAOYSA-N 474.583 2.059 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc3nnc(C)n3c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 110436749 XDKIWLBFEOGNIF-UHFFFAOYSA-N 467.507 2.132 10 20 JECD C[C@@H](CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)NC(=O)C1CCCCC1 727531625 QCQCQZKURMXVPC-KRWDZBQOSA-N 463.550 2.297 10 20 JECD COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 728888949 KXYQRJPGPJJCBC-FQEVSTJZSA-N 456.587 2.402 10 20 JECD C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)C1 731223113 VNJGXFRGRROSKO-UNMCSNQZSA-N 457.619 2.045 10 20 JECD COCCOCC(=O)NC1CCC(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 748712070 CTUJQHQGMULEFR-IGBVOLGGSA-N 479.593 2.394 10 20 JECD COCCN1C(=O)/C(=C/NNc2ncnc3scc(-c4ccccc4)c23)C(=O)NC1=S 814318478 NNKXRBQMDHZAAW-UKTHLTGXSA-N 454.537 2.048 10 20 JECD O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 915269340 VHDKSYBCMWUVMW-SFHVURJKSA-N 466.581 2.203 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCN(C(=O)[C@H]2CCCO2)CC1 916633657 JUQKGPQWESEIGK-LJQANCHMSA-N 470.492 2.075 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)cc2F)C[C@@H](C)O1 917030298 UALVPLUUBUQMNX-KZNAEPCWSA-N 492.617 2.396 10 20 JECD CC(C)CN1C[C@H](C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1=O 919076275 CMXUGEJHMJBIEA-ZIFCJYIRSA-N 463.550 2.103 10 20 JECD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 919805721 JLRGNDMPWHMJSG-AWEZNQCLSA-N 469.585 2.285 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)cc1Cl 921295929 YSFIJOYGOUZOAW-UHFFFAOYSA-N 456.926 2.055 10 20 JECD Cn1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)ccc1C(F)(F)F 1777848038 HVYDBOYXBNIARQ-IIBYNOLFSA-N 482.459 2.291 10 20 JECD Cn1ccc2cccc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)c4cc(O)nc(O)c4)C3)c21 1777848178 MJYZBMRZOMJUGL-KBMIEXCESA-N 464.522 2.426 10 20 JECD COc1ccccc1CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777849054 IWKGZRNRCUZRFZ-CJFMBICVSA-N 469.538 2.262 10 20 JECD CC(C)N[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1)C(C)C 1778127261 BFFROSQCPXXARC-RWCIVJTCSA-N 497.640 2.316 10 20 JECD COCc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1780050586 BJQXPPWSXVHTGX-PLOYQGSLSA-N 485.537 2.119 10 20 JECD COc1cccnc1CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003519 KZILKUIQTRGBKZ-HSZRJFAPSA-N 475.929 2.231 10 20 JECD CCOc1c(F)c(F)cc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)c1F 1782012737 PCIWBSIDGYMGJH-JOCHJYFZSA-N 481.427 2.066 10 20 JECD CC(C)(C)c1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1787173612 ORKYCTRFJWGQSX-WBAXXEDZSA-N 454.527 2.092 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccc(Cl)cn1 1788862949 SBEMDNMXSOXQJL-XERREHJYSA-N 481.940 2.121 10 20 JECD CC(C)(C)n1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cn1 1794350150 DYMMSVQGCPNFHN-JLVBRIDZSA-N 462.934 2.220 10 20 JECD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c(F)c1 1796481118 NRFHCOYLLAPPDI-GPVSGQMNSA-N 464.497 2.130 10 20 JECD O=C(CCN1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796931685 CCYOHPXPKZNVMN-NUZGMZIFSA-N 451.571 2.294 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)CC(=O)N2 1797984346 ZLOWGCUYRCHCHZ-KJZRSFJVSA-N 463.490 2.263 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1c(F)cccc1Cl)C2 1802078800 INVWTKBHLFQLNU-ZMGRENDRSA-N 490.915 2.441 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)[C@@H]1ON=C(c2ccccc2)O1 1804285661 GEAUHOGLYATZQJ-UHMFHEDWSA-N 479.489 2.190 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3cc(C4CC4)on3)C2)CC1 1805151240 PIBVQUGIXPOMMX-UHFFFAOYSA-N 462.597 2.257 10 20 JECD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cn1 1805251588 DJFIQIMEGGNDJN-OPWPMMOYSA-N 475.505 2.330 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CSc2ccncc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994181 SQMNJHIEHPKRQF-ZHRRBRCNSA-N 465.535 2.395 10 20 JECD CN1CCCC[C@H]1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808463559 DAYSRQSZUIJHAR-JHMXWDHMSA-N 488.592 2.365 10 20 JECD COCC1(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)CC1 1808465140 QWPYQIWMKAOEKY-AUSIDOKSSA-N 475.549 2.307 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCN2CCOC2=O)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811807359 YFTCISCTYSZBSO-YWZLYKJASA-N 488.928 2.308 10 20 JECD CCOCCC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813535654 KBULJBXYYAHAFK-CYFREDJKSA-N 463.538 2.307 10 20 JECD C[C@H](Nc1cccnc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1817329378 RGUBRLISFNYRBL-XJKSGUPXSA-N 487.611 2.158 10 20 JECD O=C(CCc1cnccn1)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367198 RUCGPMYNDBYJBR-OAHLLOKOSA-N 489.561 2.271 10 20 JECD Cc1ccc(S(=O)(=O)CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cc1 1817845102 YXIOWNSOGQFCHU-GOSISDBHSA-N 499.549 2.304 10 20 JECD Cn1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)c1=O 1818145992 QANIXTMANPEJOQ-HXUWFJFHSA-N 487.520 2.207 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cnnc(Cl)c2)[nH]n1 1823496619 NDCFJKKZRPVUBU-LBPRGKRZSA-N 479.975 2.019 10 20 JECD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)n1ccnn1 1827717347 BNAMAASDCWFQRB-GCJKJVERSA-N 477.569 2.252 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCC(F)(F)C1)CC2 1828243728 UFVQZRCWNITXRS-NXEZZACHSA-N 474.580 2.351 10 20 JECD C[C@@](O)(CC(=O)O)CC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878729 ZYLHEUNLAWNAKP-SWQPOGFJSA-N 490.553 2.052 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C(F)(F)Cl)CC1 1832900467 UKFMTJXCYIKZQS-LBPRGKRZSA-N 453.964 2.298 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(C(F)(F)F)c[nH]3)CC2)CC1)c1cc(O)nc(O)c1 1834986848 BGRQZJURMTYSOB-UHFFFAOYSA-N 481.475 2.339 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccn(-c4ccccc4)n3)CC2)CC1)c1cc(O)nc(O)c1 1834988721 IVPPAKQWTFZBCK-UHFFFAOYSA-N 490.564 2.178 10 20 JECD COCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1835234972 DEYJPWFKFHMNOF-VWLOTQADSA-N 455.555 2.201 10 20 JECD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)c1ccc(O)cc1 1839170866 CCKIAHJFKRSHNK-OYLFLEFRSA-N 490.940 2.331 10 20 JECD CC[C@H](C)[C@H](N)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331338 LVDBOMMQHCBENH-WMQCIHAUSA-N 487.645 2.281 10 20 JECD COc1cc(Cl)cc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)c1 1847055992 DERLLISVPXZJTE-UHFFFAOYSA-N 453.973 2.026 10 20 JECD COCCCN(C(=O)/C=C\c1cncc(F)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 729330213 MVASDQOFWDQLBZ-HJWRWDBZSA-N 453.474 2.196 10 20 JECD CNC(=O)CCN(C)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 729368696 NFICJRUMBHTNQF-UKTHLTGXSA-N 456.387 2.245 10 20 JECD CCN(CC)c1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1F 731346108 RIVHEIXXAYTHLB-UHFFFAOYSA-N 464.563 2.086 10 20 JECD CN(CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)C1=NS(=O)(=O)c2ccccc21 743918835 CDNDQQAXUSGBKN-FQEVSTJZSA-N 470.595 2.341 10 20 JECD CCN(CC)c1ccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)N3CCCCC3)c2=O)cc1 914582375 XBUDVZRDHQJCQS-UHFFFAOYSA-N 467.635 2.357 10 20 JECD O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 916984765 NTOPSWQPFOVSNF-UHFFFAOYSA-N 457.506 2.009 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3cc(C(=O)O)cc4c3CCCC4)cc2)C1 917930838 WIRAQEIICHYGPV-SFHVURJKSA-N 471.579 2.444 10 20 JECD C[C@H](OC(=O)[C@]12CCC(=O)N1CCS2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 918006953 PQHKTTRXUSNALY-RKNYENMMSA-N 464.499 2.398 10 20 JECD O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918339873 JGCYHNMFYRAECR-UHFFFAOYSA-N 473.639 2.260 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cc(S(C)(=O)=O)ccc3F)cc2F)C[C@@H](C)O1 919623037 ZNHJFXNTNYBERF-GASCZTMLSA-N 496.532 2.455 10 20 JECD CC[C@H](C)NC(=O)CCNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919782284 HMTXVWNUGOBOOH-KRWDZBQOSA-N 457.554 2.046 10 20 JECD Cc1cccc(C)c1OC[C@H](O)CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 920238729 WYBMQAGCDGUJNO-IFMALSPDSA-N 454.571 2.244 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)c1ccc(N2CCOCC2)cc1 920927536 XYURVYQDONTBMV-MRXNPFEDSA-N 490.557 2.018 10 20 JECD CCc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)cc(C)n1 1778353614 GZSGERUWFPOSAC-NTKDMRAZSA-N 454.527 2.200 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(OCC4CC4)cc3F)C2)C1 1781438411 DHJPRMDIGVBZOU-XMMPIXPASA-N 471.485 2.178 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)cc1 1781753969 PCZDMEQJDBLSTA-AREMUKBSSA-N 464.566 2.160 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NO1)CCO2 1782004312 VCRBKVPMTDSEFF-GBXCKJPGSA-N 485.924 2.388 10 20 JECD CC(C)(C)OC(=O)NCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007467 ILLGDWKSQIIQTO-QHCPKHFHSA-N 497.976 2.500 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)[nH]1)CCO2 1785507285 MOIAEOCDPHJZFH-FNLFUECCSA-N 481.427 2.307 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)C(Cl)(Cl)Cl)CCO2 1785510510 NKUQUIPUZLVNMR-NKEDHYFDSA-N 465.717 2.017 10 20 JECD CC(C)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)CC1 1790243259 ZZWCPVNKGFIBGC-MDKPJZGXSA-N 480.005 2.465 10 20 JECD C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1)c1ccccc1 1792241831 JJOJOXFZOFPSRH-WNHJNPCNSA-N 475.636 2.020 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cc[nH]c3cc1Cl)C2)c1cc(O)nc(O)c1 1796137993 SIEPCICEAYLRPA-VTEUUUEMSA-N 456.886 2.145 10 20 JECD COc1nc(C)ccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796934403 BAFRHOHIBWBBMA-GGPHIMKMSA-N 461.522 2.443 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@@H]1ON=C(c2ccccc2)O1 1796934426 BVIFQVYYLDMQKJ-FGFYRLLUSA-N 487.516 2.152 10 20 JECD CC(=O)O[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2)C(C)C 1798273622 IVVKEQGSFLYHGF-ZBPHCFQXSA-N 454.527 2.005 10 20 JECD CCOC(=O)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c1F 1799229969 CJRYFJPFIMLVEH-BTTYYORXSA-N 493.582 2.115 10 20 JECD CC(C)(C)CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1800674074 TVPQQYPEBOAQGK-CWPLJXCYSA-N 469.673 2.433 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804291131 FASGQSDJBVJBCW-RRTFDBAASA-N 479.533 2.273 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3ccnn3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001741 WWJZRIARIMPKGP-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD O=C(Cc1ccccc1F)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1813841979 OHTDHCGTHJXBKA-LBPRGKRZSA-N 478.596 2.297 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3ccc(F)cn13)CC2)c1cc(O)nc(O)c1 1816729507 UXRSNRHJCARUJQ-GFCCVEGCSA-N 468.470 2.276 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CO)c(F)c2)[nH]n1)c1cc(O)nc(O)c1 1817848444 JWHHYTMLWFESRQ-QGZVFWFLSA-N 455.446 2.467 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1snnc1C1CC1 1818379688 KFHXPLFDPNFUGI-GFCCVEGCSA-N 491.624 2.305 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@@H]1[C@H]2C=CS[C@@H]21 1821709633 HTNMCUHLBVEBDX-AYCDNXFUSA-N 463.610 2.137 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1823067296 BAPWTLMGYHYEOT-CHWSQXEVSA-N 490.632 2.383 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccnn23)[nH]n1 1823499770 XGKRBUMIFVEGOA-HNNXBMFYSA-N 483.579 2.224 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)n2)[nH]n1 1823500216 WSTMSGKWFUBWOM-CYBMUJFWSA-N 462.532 2.110 10 20 JECD O=C(Cc1ncccn1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876159 CZYVTGBLAZIZKH-ZLQZBKBYSA-N 466.538 2.469 10 20 JECD C/C=C/C=C\C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835133920 LQKFDPWCUJSISE-GQICYRDHSA-N 463.582 2.483 10 20 JECD COc1cccc(OC)c1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838030328 NQSUZLSAYDTVNG-UHFFFAOYSA-N 485.537 2.436 10 20 JECD Cc1ccc(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1840881634 HDNQQZQZVVJCGP-WHVGEVHXSA-N 482.533 2.204 10 20 JECD O=C(Cn1ccc2sccc2c1=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441413 UGUULGDGPYWSCX-UHFFFAOYSA-N 489.557 2.059 10 20 JECD C[C@@H](C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)N1CSCSC1 1844317428 GQDFVWMRHNICFJ-INIZCTEOSA-N 473.624 2.026 10 20 JECD COc1cc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)cc([N+](=O)[O-])c1OC 1847039442 QFHOVONHUQMOBI-FNORWQNLSA-N 499.476 2.259 10 20 JECD O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055125 GNWPRAHOSBRRAS-UHFFFAOYSA-N 490.588 2.487 10 20 JECD O=C([C@@H]1CCCCN1Cc1ccccc1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055189 DBSPAEOJKNUNJI-IBGZPJMESA-N 486.663 2.105 10 20 JECD CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)cc1 15451128 WOFKDYRHVWYEDH-UHFFFAOYSA-N 458.628 2.328 10 20 JECD CCS(=O)(=O)CCNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 727718857 OZYWBBRZPJWYFR-LCYFTJDESA-N 477.427 2.201 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1 729067637 WDUVWJKMFZENIF-LLVKDONJSA-N 455.920 2.120 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N[C@@H](CN3CCOCC3)c3ccccc3)CC2)cc1 742947617 JKKFAZYWJGWAPN-VWLOTQADSA-N 467.614 2.190 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C)cc3OC[C@@H]3CCCO3)CC2)cc1 743433050 VLWQIGZDLXXQMG-QHCPKHFHSA-N 496.608 2.438 10 20 JECD O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 747223332 SQHAVFYVPXRHKH-CYBMUJFWSA-N 488.444 2.468 10 20 JECD CS(=O)(=O)N1CCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 914847922 OIHVWLYBYMHYPE-SQFISAMPSA-N 473.667 2.223 10 20 JECD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 915023143 SYDLWCZVOALYSB-CYBMUJFWSA-N 498.538 2.372 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnnn3C[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 917201494 OTKCVHQHHGQKST-UXLLHSPISA-N 464.567 2.013 10 20 JECD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 918266502 NZDVSSVFQLBCRG-UHFFFAOYSA-N 460.531 2.221 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 918303342 FENFYNMDVJJGRF-UHFFFAOYSA-N 488.610 2.069 10 20 JECD COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 919813971 WKSUZMXKTHZARV-LJQANCHMSA-N 481.958 2.089 10 20 JECD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 919970646 RAOHWXCNYYJVMG-UHFFFAOYSA-N 463.575 2.388 10 20 JECD CC(C)(C)C(=O)N1CCC[C@@H](C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 920720257 LEVDTQSJURAVBQ-GOSISDBHSA-N 463.550 2.106 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cc(F)ccc3F)C2)C1 1780492182 OBRUQQMEUDVSBP-GTYDBAGRSA-N 460.433 2.239 10 20 JECD Cc1cc(F)cc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1781574048 NECHVAXHFQTUDV-JURIHQFCSA-N 456.470 2.408 10 20 JECD Cc1scc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c1C 1783246352 PKMQMNDFMFAMJI-IIBYNOLFSA-N 481.665 2.353 10 20 JECD COc1ccccc1CCC(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785503967 VVRFTAJXHOQLJO-MLYOZINFSA-N 482.533 2.288 10 20 JECD C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)[C@@H]1SC(=N)NC1=O 1788634176 OHVQULGRAVPHLZ-GTNSWQLSSA-N 469.523 2.043 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4cnnc4)cc3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243460 NUWCHTLNWBJNKP-XERREHJYSA-N 497.939 2.239 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cc1O 1792218300 WBUPMHDTSYHQPB-OUYUHBOOSA-N 468.506 2.124 10 20 JECD CCCC(=O)N[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792315302 ZUIKOTJLSKSSTQ-AWEZNQCLSA-N 476.624 2.286 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccsc1)C2 1802079049 QXPAGKZERBREHX-CPTMGGMHSA-N 456.520 2.181 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cc[nH]c3cc1F)C2 1802080589 YCLXUURDBFWBIU-RWORNESQSA-N 481.480 2.340 10 20 JECD O=C(/C=C/c1cccnc1)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1807164818 KXOKETLMBYBIKS-SNAWJCMRSA-N 458.609 2.186 10 20 JECD CCn1nc(C)cc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807992604 DFLUEPHIPGGSKO-IIBYNOLFSA-N 450.499 2.046 10 20 JECD CC(C)N1CCC(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)CC1 1807993198 FSQBLXSNNYKJKA-AUSIDOKSSA-N 467.570 2.328 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1cnc(O)[nH]1 1810951553 QKZPFQPEBTUNBY-PXAZEXFGSA-N 457.874 2.208 10 20 JECD CN(C)C(=O)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1814005683 AJVPPZPEBQGWOG-CVDCTZTESA-N 489.532 2.223 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cnsn2)[C@H]1c1cccnc1 1814161624 ATDHWTOFNPURNQ-ZIPBJVRUSA-N 467.507 2.083 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)C1CCC(CO)CC1 1815689790 DXBPKYPEYPYYMS-XUJLQICISA-N 479.628 2.061 10 20 JECD COc1nccnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1816160820 MZUUCQGDWLPGSY-PMGBHYCQSA-N 480.481 2.344 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc2n[nH]cc2c1 1817860954 PIJDLSGQLDQRDF-MRXNPFEDSA-N 483.579 2.452 10 20 JECD Cc1nc[nH]c1CSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1819322304 RMKKGLATYGTTSY-MRXNPFEDSA-N 471.543 2.487 10 20 JECD Cc1ncc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)s1 1822742418 UTQGEJYQSISAPI-AWEZNQCLSA-N 478.625 2.270 10 20 JECD Cn1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)cn1 1823480138 UYTKGZRHIDVINZ-JKNJVXJCSA-N 466.498 2.208 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CNc3ccccc32)[nH]n1 1823497688 HARBZGCCILIYFG-WMLDXEAASA-N 484.607 2.471 10 20 JECD CCc1[nH]nc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1Cl 1828242324 GQLMLUCISXUFJZ-MRVPVSSYSA-N 499.043 2.168 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nc1)CCO2 1829509491 MSQLKCAFCKZBCL-OAQYLSRUSA-N 482.320 2.183 10 20 JECD Cc1cc(CCC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)ccn1 1833745580 ZYVQGKZKZPNCOC-UHFFFAOYSA-N 467.570 2.014 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccc2ncoc2c1 1835411574 UHCPTVFTVZAIOJ-UHFFFAOYSA-N 465.510 2.133 10 20 JECD COc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc(Cl)n1 1838029884 MMXUHDFFPHFOCB-UHFFFAOYSA-N 490.944 2.476 10 20 JECD COc1ccc(COCC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1838031650 ABBCOSCDGIZQPQ-UHFFFAOYSA-N 499.564 2.330 10 20 JECD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)c1ccccn1 1840504628 ZTFGGHCOMCVEIK-WNSKOXEYSA-N 475.929 2.020 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cc(=O)c3ccccc3o2)C1 1841214266 DDBYSCYMGHYMJP-VQHVLOKHSA-N 462.458 2.440 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251026 OMBQPGBNPFFBNH-HRYATBACSA-N 486.569 2.249 10 20 JECD CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)CC1 10925635 ZHUFBQDIYMYKDF-UHFFFAOYSA-N 494.456 2.329 10 20 JECD COC(=O)CCCN(C)C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 913675024 VXRCAWLXKQJXQP-UHFFFAOYSA-N 451.457 2.126 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCc3ccc(N4CCO[C@@H](C)C4)nc3)CC2)cc1 916196848 QMCKPZZXYWHSHF-NRFANRHFSA-N 482.629 2.327 10 20 JECD CCN1C[C@@H](CN(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)Oc2ccccc21 917020176 DMTIYKMPKNOJJU-HXUWFJFHSA-N 456.562 2.498 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)cc2F)C[C@H](C)O1 917153212 QVVDXCKVGKTHNC-GJZGRUSLSA-N 469.473 2.374 10 20 JECD CNS(=O)(=O)Cc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918200378 FTAVEYQTILFUBC-IRXDYDNUSA-N 478.590 2.488 10 20 JECD C[C@@H](NC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)c1ccc(N2CCOCC2)cc1 920868749 LDWSRNIXABUKFG-OAQYLSRUSA-N 457.619 2.314 10 20 JECD C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1ccc(N2CCOCC2)cc1 920880711 MSCLEJLKSZTFMP-VOIUYBSRSA-N 454.502 2.307 10 20 JECD COC(=O)Nc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1 1777852195 HRCMSAUQQPPMQM-HOYKHHGWSA-N 484.509 2.112 10 20 JECD CCc1[nH]nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1F 1778126286 ODQCYGHCLYOOPK-KBMIEXCESA-N 496.543 2.032 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1782008766 JZCKWXHNHCWCQB-JOCHJYFZSA-N 480.945 2.128 10 20 JECD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)ccc1F 1785509992 KMCFCNLQJQNOJO-BSBODGDASA-N 456.470 2.408 10 20 JECD CSc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787539802 WVBBQQWASBMFRP-LRQRDZAKSA-N 493.589 2.190 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Br)c(F)cc1F)C2)c1cc(O)nc(O)c1 1796140291 HSIZRBTZPFVNIN-XGISUXEOSA-N 498.280 2.051 10 20 JECD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1)c1cccs1 1796482755 WSMHAXDWYDUNJI-DBHNTLKXSA-N 466.563 2.234 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1cc2sccc2s1 1797376791 WTXZBHMWWOHYNY-YQYWCBKUSA-N 481.646 2.026 10 20 JECD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1F 1798872044 XZVNECFLKMIQPO-FEJSZKPUSA-N 464.497 2.130 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c[nH]nc13)C2)c1cc(O)c(O)c(Cl)c1 1799768167 MGAANBIXHTUNJN-ZSBFGKGUSA-N 456.886 2.145 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc2occc2c1O 1800018646 PEUNKMCQYGGZMU-MSBPNGLFSA-N 480.473 2.172 10 20 JECD CCCNC(=O)CCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1803449335 RJXPSXDZGMLRJH-FWHKYQEASA-N 496.564 2.224 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2ccc3c(c2)OCO3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991601 QKPUZDBFGNBBCL-OSPHWJPCSA-N 476.489 2.179 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2c(F)cncc2F)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994330 GXLCSAZVEXJWJC-RBZFPXEDSA-N 455.421 2.194 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cncc(O)c2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470246 UPYNZUOFXUHEGQ-UUOWRZLLSA-N 484.516 2.295 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(-n2ccnc2)ccn1 1811583075 SZZBMRLIRDYEKW-UZUQRXQVSA-N 485.504 2.102 10 20 JECD Cc1cnc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cn1 1814161683 BDYHCLMGNWVCOR-DPLQINJDSA-N 475.505 2.330 10 20 JECD Cc1nccn1CC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814165362 FAMQTAAMLWVJMU-DBUITHOJSA-N 477.521 2.123 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc3nc[nH]c3c2)[C@H]1c1cccnc1 1814189558 SCTBFWNKVYCAEE-IERDGZPVSA-N 494.602 2.138 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)CSc3ncccn3)sc2C1 1815635376 RKDGTGKJNGITHM-MXPWBENCSA-N 499.574 2.468 10 20 JECD Cn1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)n1 1816484385 WQULQFLXLICWEA-IBGZPJMESA-N 460.498 2.242 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCCC3)CC2)c1cc(O)nc(O)c1 1816725967 PQLQDMHCBXYWSQ-LBPRGKRZSA-N 454.512 2.022 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cccc4nc[nH]c34)sc2C1 1816744458 WOYRVPMKXZFKIP-JTQLQIEISA-N 486.604 2.106 10 20 JECD CN(C)C(=O)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821291525 SUOCUIYIGRSNED-CQSZACIVSA-N 464.910 2.051 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccccn2)[nH]n1 1823496384 MDZRGFUILIEOCU-MRXNPFEDSA-N 472.596 2.290 10 20 JECD Cn1nccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1825974296 CBYNUBBSCGTHRK-IWHGQQBYSA-N 454.527 2.484 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)n1 1827426861 KZVAYGQUVOKJQJ-IBGZPJMESA-N 467.526 2.393 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)C(=O)c1ccco1)CC2 1828195714 SYTKCYFXDKJZAZ-GXWOQWCDSA-N 469.475 2.361 10 20 JECD COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)ccn1 1829279975 WFBILTVPEKBUEE-KRWDZBQOSA-N 476.624 2.184 10 20 JECD O=C(c1cc2cn[nH]c2cn1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902845 ZECXBPKRQCVPHL-SFHVURJKSA-N 486.623 2.052 10 20 JECD CN1CCCC[C@@H]1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833318065 CAMFRGHKEZCQPH-HXUWFJFHSA-N 479.021 2.421 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)C2(C(=O)Nc3ccccc3)CC2)C1 1841640154 CBDQBJKLBMXTIN-UHFFFAOYSA-N 485.544 2.402 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)COc2ccc(O)nn2)C3)cc1 1845399384 VKJXBUISDGUSNP-UHFFFAOYSA-N 461.522 2.486 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 10906883 YVHAQKITPUCCBW-UHFFFAOYSA-N 494.013 2.470 10 20 JECD Cc1cc(C(=O)COC(=O)Cn2ccc(C(F)(F)F)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 11394220 IDRWJSCCNQFZGA-UHFFFAOYSA-N 484.456 2.383 10 20 JECD COC(=O)Nc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1F 727615030 WMIFNAYFEQAMSS-UHFFFAOYSA-N 458.490 2.468 10 20 JECD CC[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 743432786 RPRHTMOEWKIZHE-IBGZPJMESA-N 481.597 2.100 10 20 JECD COCCN1C(=O)/C(=C/NNc2ncnc3sc(-c4ccccc4)cc23)C(=O)NC1=S 814318377 MQWCQQUGYUDZFR-GXDHUFHOSA-N 454.537 2.048 10 20 JECD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCCn1nc3ccccn3c1=O)c2[N+](=O)[O-] 914616973 CPBFZLMNDGWQJY-UHFFFAOYSA-N 458.386 2.037 10 20 JECD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917714704 NRWXWPDDJWVZLJ-GASCZTMLSA-N 482.560 2.447 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3CCN(C(=O)COc4ccccc4)CC3)cc2)C1 917834367 XHIXROJZUQIIPA-QFIPXVFZSA-N 478.593 2.322 10 20 JECD CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 918214022 QMUICAUVSNUSTB-OAHLLOKOSA-N 478.537 2.013 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(Cn4cncn4)c3)cc2F)C[C@@H](C)O1 918286627 JDILSVYZNXVPCI-IAGOWNOFSA-N 466.517 2.334 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1 918936805 UJZULHWXJCVLCI-HZPDHXFCSA-N 493.557 2.284 10 20 JECD CCn1nc(C(C)C)cc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1780404580 RZQUPJHDGWMQRJ-UVXPNCNTSA-N 484.553 2.300 10 20 JECD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1)c1ccc(O)cc1 1781261567 YNBMPCRSGMOQQL-DWXRJYCRSA-N 476.533 2.119 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ncnn4C)[C@H]3C2)cc1 1785851266 JLEQXHWGXODHJE-BVSLBCMMSA-N 462.554 2.130 10 20 JECD Cc1nn(C)cc1C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792314450 CEYZREMIRLWHGV-UHFFFAOYSA-N 457.581 2.337 10 20 JECD COc1c(Cl)ccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799768954 HNRWSSBQFKEORR-DRXBFXEBSA-N 482.320 2.325 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccccc3)CC1)C2 1802078042 YDUQFCLXNTXLNO-JWMIDBARSA-N 464.518 2.138 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1cnsn1 1804997213 WRLACFNNYIVEFJ-IERDGZPVSA-N 475.534 2.046 10 20 JECD O=C(CCc1cncnc1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1807499810 KIGBLPFWWMANRM-RLWLMLJZSA-N 497.559 2.303 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807990884 CFYYCGIUDNHPKM-YYFZDKIDSA-N 485.541 2.121 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCc2ccc(F)nc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993223 GYJAJFJKQBIZMH-HXOBKFHXSA-N 465.485 2.374 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C(=O)c2ccco2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808465217 RMPFITAUXJDVPJ-WZONZLPQSA-N 485.500 2.356 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(=O)cco2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468650 WRNLCIQORFJWKQ-HOYKHHGWSA-N 485.500 2.147 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(CO)on2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811806791 SKPYPCGNWHCLRU-YJYMSZOUSA-N 472.885 2.260 10 20 JECD COc1ccccc1CC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812764980 ORVONGWPIFOURD-MHECFPHRSA-N 462.506 2.459 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)[C@H]1c1cccnc1 1814186074 WUTPKAQPJPIQNQ-SYNHAJSKSA-N 458.609 2.304 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc3nc[nH]c3c2)[C@@H]1c1cccnc1 1814189557 SCTBFWNKVYCAEE-HRAATJIYSA-N 494.602 2.138 10 20 JECD CCC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367004 MROVYAQKAYQFJM-YJBOKZPZSA-N 496.593 2.153 10 20 JECD Cc1ccn2c(=O)c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)cnc2c1 1817845397 LZJTUKGZLYYCQF-QGZVFWFLSA-N 489.492 2.152 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)[nH]n1 1823479705 NBRNWTORTOSUCU-HQQZLXMTSA-N 454.483 2.124 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3nccn3c2)[nH]n1 1823497448 DRSAZAYNFSSPHV-OAHLLOKOSA-N 483.579 2.224 10 20 JECD COC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1826379013 CQVWGBYPWLBCAA-JHTBKMLMSA-N 460.527 2.390 10 20 JECD COC(=O)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)cn1 1827787800 ORKXKRZPYQBMCE-IBGZPJMESA-N 468.510 2.222 10 20 JECD Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)nc1C 1828240686 ZCBOAAPAJULFEQ-LBPRGKRZSA-N 475.621 2.241 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C(F)F)no1)CC2 1828242150 AAJXONQWAHXJBQ-ZETCQYMHSA-N 487.535 2.155 10 20 JECD COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)nn1C 1832877125 VCYIJCDLZCODDQ-QRBZPYHOSA-N 484.553 2.492 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cn2c(Cl)cccc2n1 1835313173 SYSKDKJFUBGDGY-UHFFFAOYSA-N 498.971 2.293 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)[C@H]1CC1(F)F 1835452897 NCISXIALSPNSLY-NKEDHYFDSA-N 465.497 2.043 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c3c(Cl)cccc13)CCO2 1839588737 FSDRBLBFEAFZCL-HSZRJFAPSA-N 486.912 2.011 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(F)CCCC=C3F)C2)C1 1840881699 KBDISXOCOBUOQZ-UUMVYCCLSA-N 494.491 2.019 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@H]1F)C2 1844251520 DQJKNOFPUQYPMK-IKGGRYGDSA-N 477.533 2.095 10 20 JECD COc1ccc(N2CCC(NC(=O)C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)CC2)cc1 110357395 QCJGWASUNUEGLI-UHFFFAOYSA-N 476.599 2.486 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COc3ccc(S(=O)(=O)N(C)C)cc3)cc2F)C[C@@H](C)O1 727976997 CLVWXRFWKRGGTI-IAGOWNOFSA-N 479.574 2.385 10 20 JECD O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(N2CCOCC2)c(F)c1 729325198 QMBBPQPUVNWVMF-UHFFFAOYSA-N 475.464 2.276 10 20 JECD C[C@H]1COCCN1CCNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 729386137 QBAWNLJCWZXNSN-RKPNYOAGSA-N 484.441 2.487 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)CC2)cc1 743286586 MMEVCYUWXAVYKB-UHFFFAOYSA-N 473.599 2.080 10 20 JECD Cc1nn(C)c(=O)c(C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1C 878586904 DTQSATWCRVSODU-AWEZNQCLSA-N 459.458 2.357 10 20 JECD CCN(CC)c1ccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NCc3ccco3)c2=O)cc1 914582368 WMSDVTICCJCMNS-UHFFFAOYSA-N 479.602 2.254 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3cc(C(=O)O)cc4c3CCC4)cc2)C1 917929583 HWMXTMGDJDXJJD-KRWDZBQOSA-N 457.552 2.054 10 20 JECD NC(=O)C1(CNC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CCOCC1 918099435 YTMUIDTVQSWUJV-ZROIWOOFSA-N 498.424 2.049 10 20 JECD Cc1cc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(Br)c1 918568632 RKJOUDLYBWOFQN-MRXNPFEDSA-N 482.400 2.280 10 20 JECD CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918642483 BYYOXAVYTKIUKK-QFIPXVFZSA-N 472.611 2.062 10 20 JECD Nc1ccc(Br)cc1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 918784633 QSBCXGFYSCCMBO-UHFFFAOYSA-N 466.307 2.480 10 20 JECD Cc1cc2nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3cc(O)nc(O)c3)C4)[nH]c2cc1C 1779298682 WPFOIHTXWQVXMN-KBMIEXCESA-N 479.537 2.427 10 20 JECD Nc1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)cs1 1781121228 KLGSQMPIDQLWAA-FOIQADDNSA-N 466.947 2.231 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@@H]1[C@H]2C=CS[C@H]21 1781529962 CUUACXLQZHURFR-LEKCYLROSA-N 480.590 2.168 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccc3c(F)cccc31)CCO2 1785504060 VYWCJTWKWSBDOX-UJWGQFCKSA-N 495.507 2.441 10 20 JECD C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1)Oc1ccccc1 1796481292 XOSNZUREIPGHIY-MUFBNLQYSA-N 490.560 2.227 10 20 JECD COc1cc(OC)c(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1 1798549776 NWVWATUOPKMUFM-NXCRSVRDSA-N 494.903 2.425 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799620139 RACRSJUAZORIGG-CBJLPSGESA-N 466.582 2.212 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnc(-c3ccccc3)o1)C2)c1cc(O)c(O)c(Cl)c1 1799769109 ACNXDGLUTHTBGK-JLVBRIDZSA-N 484.896 2.318 10 20 JECD COc1cc(F)cc(/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c1 1802112256 JOMWZQYCLDQXBW-ZKSWQTCOSA-N 477.583 2.346 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CO)c(F)c1 1803952210 QPLUDCGPPSLXFR-DTUWPTEXSA-N 456.470 2.400 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)C1CCC(CO)CC1 1804216028 LHJWKQNLVRZUOA-UOCUPXSESA-N 454.527 2.006 10 20 JECD O=C(Cn1cc(Cl)cn1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1807409950 ANBNTUSHNPAVPL-GEROHTISSA-N 497.939 2.468 10 20 JECD Cn1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(C(F)F)n1 1807995146 CTMULAFOESQSMO-BFUOFWGJSA-N 472.452 2.192 10 20 JECD O=C(NC[C@H]1CCN(C(=O)COc2ccccc2F)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807997504 AHRFBHNDLXGPPZ-WAIKUNEKSA-N 466.469 2.426 10 20 JECD Cc1nccc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n1 1808763180 HLYLKZQRSHZDCV-YADARESESA-N 483.532 2.293 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3ccccc3-n3nccn3)CC2)C1 1810554267 IZFLAGZSMJDZJR-UHFFFAOYSA-N 462.510 2.232 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc2ncsc2[nH]1 1810578170 CUQIGVJSTBMMDA-YJYMSZOUSA-N 464.507 2.459 10 20 JECD CCn1nc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1C 1811026186 ZTHNWICCYVOMQA-HRAATJIYSA-N 450.499 2.046 10 20 JECD COc1ccc2[nH]cc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c2n1 1811321805 OIPNSCINCWETBN-IQMFZBJNSA-N 488.504 2.406 10 20 JECD CC(C)c1cc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)on1 1811572264 NBAZZVGDQXBVAO-QRWLVFNGSA-N 487.607 2.373 10 20 JECD COC(=O)CSCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811796527 IWOFTOQKJKHTGM-VBKZILBWSA-N 493.969 2.372 10 20 JECD C[C@H](Cn1ccnc1)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814165082 BUVSXFVPIVZUKU-UCJKHOCISA-N 491.548 2.450 10 20 JECD O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816719923 ACVXVVRYKWVTDC-CYBMUJFWSA-N 469.479 2.326 10 20 JECD Cc1nocc1C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817363507 HCWVLFUMJWXBKV-ZDUSSCGKSA-N 464.507 2.458 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)o1 1823500056 LTECDMUEOWUONA-CYBMUJFWSA-N 490.567 2.127 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(O)cc1F)CC2 1828247196 OOKQNSDHSWRXQK-VIFPVBQESA-N 480.568 2.074 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)C(C)C)CCO3)cc1 1830871784 BBVPTGUZRPPDOG-OZXSUGGESA-N 469.582 2.181 10 20 JECD O=C([C@@H]1[C@@H]2C=CS[C@@H]12)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899222 BJTHKLRMOUAGJV-ILRDRHFLSA-N 465.666 2.342 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)c3ccc(O)nc3)CC2)CC1 1838110458 LPBPVSLBYLGPDC-UHFFFAOYSA-N 491.548 2.192 10 20 JECD O=C(Cc1ccc(Br)nc1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038119 BEGRITNWHQXRNW-QPJJXVBHSA-N 488.338 2.420 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 18288509 YNMGBYNBUNTFPL-UHFFFAOYSA-N 462.890 2.246 10 20 JECD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 109190431 OLTLWYALXDUVLD-KRWDZBQOSA-N 459.568 2.272 10 20 JECD Cn1c(=O)n(C)c2cc(S(=O)(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)ccc21 726600727 IFYWOQCKJKDBCN-UHFFFAOYSA-N 466.510 2.426 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)cc1 726725758 GIVVBUSXZLYKDN-UHFFFAOYSA-N 463.538 2.217 10 20 JECD COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)NCc3cccc(OC)c3O)cc2)C1 729550223 CBGLSDZFGBXKFP-INIZCTEOSA-N 477.539 2.296 10 20 JECD CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCCN3C(=O)OCC(F)(F)F)cc2)CC1 857494646 SVDHPIJXTBQOLI-SFHVURJKSA-N 456.465 2.135 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cc(S(=O)(=O)NC(C)C)ccc3F)CC2)cc1 914938389 NUFWGQFJAAEELI-UHFFFAOYSA-N 493.557 2.027 10 20 JECD COc1ccc(C)cc1CN1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 917023146 XSPFDBZOKUQRPO-UHFFFAOYSA-N 470.589 2.413 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)Cc4ccccc4)C3)cc2)C1 917834623 LMWOVNYSUONNHY-GOTSBHOMSA-N 462.594 2.486 10 20 JECD CC[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 919793276 BIDCVZXDIQSNRB-FXAWDEMLSA-N 479.581 2.172 10 20 JECD CCc1nc(CN2CCN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)cs1 919912105 ZBBNTUVASFCVIB-LJQANCHMSA-N 470.643 2.435 10 20 JECD CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1777969198 GNWDEDOJSLBVAL-DNRQZRRGSA-N 474.602 2.238 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNc3ccccc31)CCO2 1782002161 ROGLACPSOZBXNS-WAIKUNEKSA-N 457.914 2.404 10 20 JECD Cn1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1C(F)(F)F 1782004975 RNYXLOCOCIANOZ-IBGZPJMESA-N 488.850 2.261 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1Cc3ccccc3N1)C2 1783222018 XFLGGZBHOHGNGI-YRRMVEBPSA-N 493.560 2.367 10 20 JECD Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)cn1 1785399614 BRNFRNCVLPNJPZ-KNBMTAEXSA-N 459.930 2.291 10 20 JECD COc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)cc1C 1786270918 IIOJLBNSVUYUGT-AXHNFQJDSA-N 475.929 2.370 10 20 JECD C[C@H](Sc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787291634 AEIVQBHSVDGLRU-LNMJFAINSA-N 457.552 2.267 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2snnc2c1)C1=NN(c2ccccc2)C(=O)C1 1799194308 WPSIYERHKUGDGL-ACHSLPGTSA-N 475.534 2.131 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C(=O)OCCO)c1cc(O)c(O)c(Cl)c1 1799270591 SFVBZRPBEGWRGA-MUJYYYPQSA-N 488.924 2.466 10 20 JECD Cc1nnc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(-n3c(C)ccc3C)cc2)o1 1799620717 SYJNSWULGRYFSI-IRJINJETSA-N 463.538 2.231 10 20 JECD CCc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)s1 1799769231 DHSKYKWVPZHIPC-DRXBFXEBSA-N 451.932 2.287 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(C(F)(F)F)c1)C2 1802080277 MCNFIVDHEJUQMA-PZPAOMODSA-N 493.438 2.134 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3occ(Cl)c3c1)C2 1802105421 ULEIHKQSUSQLFL-DBWKPXFBSA-N 493.994 2.150 10 20 JECD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804340480 RHVIHWHNUUTNBQ-PYNLGSQFSA-N 474.564 2.107 10 20 JECD O=C(Cc1ccc(F)cc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1806576457 ZFEJBVMDXZWSGW-VGOFRKELSA-N 486.594 2.330 10 20 JECD CCCC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1810513730 HNUSGFXCVXULOT-VZILNKSASA-N 496.564 2.222 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3c[nH]c4nccc-4c3)C2)CC1 1810647979 YRCWFSGAOWVXIH-UHFFFAOYSA-N 471.608 2.220 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1ccnnc1O 1811227533 HPDFIRZCZVKYJJ-SCLBCKFNSA-N 469.885 2.275 10 20 JECD C[C@H](Oc1ccccn1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1813406551 ITIBIORIIDZQIZ-JIGPKXGUSA-N 463.494 2.070 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2csnn2)[C@H]1c1cccnc1 1814162542 UCEXXVGTBFUIFR-DNBICOFOSA-N 467.507 2.083 10 20 JECD O=C(Cc1cnccn1)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1814995251 CTUSAXOKLCQJIP-HXUWFJFHSA-N 472.509 2.227 10 20 JECD CC(C)N1CCC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)CC1 1816721281 IPDYVWIHSVEEQW-OAHLLOKOSA-N 459.572 2.296 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2)c1cc(O)nc(O)c1 1816729354 SLGWZERZMANVJR-NSHDSACASA-N 471.451 2.103 10 20 JECD O=C(CCN1CCCC1)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367436 ZRGSXWDIJGUXEW-INIZCTEOSA-N 480.594 2.334 10 20 JECD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)n1cccc1C=O 1817492789 VUJMBQYXJOQPRV-CJNGLKHVSA-N 488.595 2.137 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@H]1CCc2nc[nH]c2C1 1822688270 JNHLFVIFWRUNNF-SJCJKPOMSA-N 451.487 2.050 10 20 JECD O=C(Cc1cc(F)ccc1[N+](=O)[O-])Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1828218596 DLJNUXIRTYIVDP-ZDUSSCGKSA-N 487.469 2.465 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3cccnc3[nH]1)CC2 1828244335 BMDBFCMIESTBCL-NSHDSACASA-N 486.604 2.106 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)CCc3cn[nH]c3)CC2)CC1 1837159559 GNSHTEZEBGXFPC-ZZXKWVIFSA-N 484.553 2.171 10 20 JECD CC(C)c1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)co1 1839431761 LSMQSZJZYLZZTA-JOCHJYFZSA-N 479.917 2.246 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3Cl)C2)C1 1840881153 FURUUQUCIOTJCF-YFTVHVBSSA-N 488.924 2.240 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1cc(=O)cco1)C2 1843331258 BRUFGSTYPPFJNW-HXUWFJFHSA-N 496.564 2.175 10 20 JECD Cc1nc[nH]c1C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251791 XEPPUBNMFDGENV-KRWDZBQOSA-N 499.568 2.082 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)[C@@H]2CC(c3ccccc3)=NN2)C1 1845743850 HCSOPRVMYDGJDL-SFHVURJKSA-N 454.914 2.334 10 20 JECD CCS(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 104995231 WMKXTVPLZYWDET-HNNXBMFYSA-N 498.557 2.394 10 20 JECD CN(C)CCOc1ccccc1CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 746726619 XHQGBLCZHXYNIV-OAQYLSRUSA-N 453.587 2.328 10 20 JECD O=C(CN1CCC[C@H](c2cc[nH]n2)C1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 917174045 MLFZXGMEILFWHT-YODDIOPGSA-N 499.618 2.335 10 20 JECD CN(C)CCOc1cccc(CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 918118143 WNWSICCWGFZXOH-NRFANRHFSA-N 453.587 2.328 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(-n4ccnc4)nc3)cc2F)C[C@@H](C)O1 918285959 CIONOELZEXGWHF-HZPDHXFCSA-N 452.490 2.275 10 20 JECD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 918745564 HGNBJOZWQINRMI-WMLDXEAASA-N 464.613 2.125 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)cc1F)C2)C1=NN(c2ccccc2)C(=O)C1 1778127184 DUGQHNKYIHCDPX-ATIYNZHBSA-N 494.523 2.452 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)Cn4cncn4)C3)C2)cc1 1779226598 KFDYBIKXYHPQGL-NIYFSFCBSA-N 476.581 2.465 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)cc1 1781753362 HDOPTQIZPUKTBD-HHHXNRCGSA-N 480.609 2.260 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)C[C@@H]21)c1cc(O)nc(O)c1 1787294516 VJRCGFDVUQKKAC-RUENVJTFSA-N 471.941 2.470 10 20 JECD COc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1F 1787541351 HIMFODGQVWPJMW-BPXKWBHBSA-N 494.523 2.221 10 20 JECD CCOC(=O)/C=C/C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1787655705 NPKWZNAIGACOFB-CMDGGOBGSA-N 461.565 2.100 10 20 JECD COc1ccc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)nn1 1789963339 VFCKUXWAQITDEM-UHFFFAOYSA-N 471.564 2.093 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(F)CCCCC3)C[C@@H]21 1792219428 VOCYPASCBIUBNC-ONQJJZRUSA-N 462.518 2.469 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc(Cl)ccc1F 1792699820 SPGXIWTWDYHCKC-YEZVWNJWSA-N 484.915 2.475 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)ncn2)cc1 1793495473 AHVSSCBEPPUPOH-BBIADKPPSA-N 461.522 2.107 10 20 JECD Cc1c(Br)ccc(F)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796140675 VRCXSUSUAXWEOM-DBWKPXFBSA-N 494.317 2.220 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)CCO3)C2)c1cc(O)c(O)c(Cl)c1 1799767961 FYOZEKSGYCKKQQ-FAQVEIGNSA-N 472.925 2.132 10 20 JECD CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(O)nc(O)c3)C4)C2)C1 1801905730 GSNHBJJIEYNYTJ-BCDXTJNWSA-N 486.569 2.392 10 20 JECD CCn1ccc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n1 1805900039 HPWWLIOSDAFOEW-DVECYGJZSA-N 485.548 2.411 10 20 JECD O=C(Cc1ccccc1F)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1806534017 YCQLCDHQKUSCBT-JTSKRJEESA-N 486.594 2.330 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)[C@@H]1CNc2ccccc21 1807177807 IKILEUGAJYDBDH-CECAUBDESA-N 495.630 2.157 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc[nH]c3nccc2-3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993014 FYDKOLUTYDLUFT-YCRPNKLZSA-N 458.478 2.349 10 20 JECD Cc1c(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)nc2ccccn12 1807996665 YYUCRPRDGZTNNJ-HXOBKFHXSA-N 472.505 2.477 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1n[nH]c2c1CCCC2 1808042895 QECOTEKRQHAGEB-QRQCRPRQSA-N 462.510 2.123 10 20 JECD Cc1ccn2ncc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c2c1 1808161541 CKYSWXCUMWTCOD-UZUQRXQVSA-N 472.505 2.477 10 20 JECD C[C@]1(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)CCCN1 1808469322 LOYFUEFBAFVOCG-FPDDQMOCSA-N 474.565 2.022 10 20 JECD O=C(CCc1ccc(F)nc1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816721168 HITARRFUBAAAHY-ZDUSSCGKSA-N 457.487 2.342 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)C1 1816728151 LEPDIMCHIVEAER-OUCADQQQSA-N 474.539 2.155 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cccc4nc[nH]c34)sc2C1 1816744461 WOYRVPMKXZFKIP-SNVBAGLBSA-N 486.604 2.106 10 20 JECD COc1ccc([C@@H](O)C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cc1 1817842543 FMLUFQFCYONWFB-LAUBAEHRSA-N 467.482 2.264 10 20 JECD COc1cnc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c(F)c1 1823497510 ZVTWPYCRHISHHM-AWEZNQCLSA-N 492.558 2.119 10 20 JECD COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)n1 1827427036 CDXDADOOEFGAIX-INIZCTEOSA-N 485.497 2.352 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)Cc2ccccc2)CC1 1831551744 ZFVWXTUCVILZND-PMACEKPBSA-N 489.663 2.070 10 20 JECD Cc1cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)no1 1832899357 FSSNCHNSJADZPA-QGZVFWFLSA-N 464.613 2.006 10 20 JECD CC(C)NCCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1834783021 PGARXOQRODAYMT-UHFFFAOYSA-N 467.010 2.325 10 20 JECD Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1838940787 ZGIFRYJQWBOXKY-HSZRJFAPSA-N 460.914 2.443 10 20 JECD C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2)C(=O)O 1839349283 MWXTZTYIBPGAGV-XWUHCIGLSA-N 481.549 2.195 10 20 JECD O=C(Cc1cccc(F)c1F)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432968 BWOXRLGXHSRKPW-QHCPKHFHSA-N 496.894 2.342 10 20 JECD CN1CCC[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843330521 CGNFXGPNPYPTDA-RTWAWAEBSA-N 485.629 2.002 10 20 JECD CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1843441812 QMCXOGPRCPSXLC-UHFFFAOYSA-N 495.580 2.240 10 20 JECD O=C(c1ccc(N2C(=O)C=CC2=O)cc1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845502495 GGKCMYBYBCWCTR-UHFFFAOYSA-N 481.892 2.311 10 20 JECD CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1846485073 DCFURKZFOBMKOS-HNNXBMFYSA-N 493.944 2.494 10 20 JECD O=C(c1cc(-c2ccccc2)on1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847050589 GYKABQOFPZGLLV-UHFFFAOYSA-N 456.549 2.019 10 20 JECD O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCc1ccc(N2CCOCC2)cc1 108807720 ZOZQJZHWEGRHDF-UHFFFAOYSA-N 482.400 2.271 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)/C(=C/c3ccccc3)n3nnnc3C)CC2)cc1 843444107 IHODWOYOCOWYIL-CLCOLTQESA-N 461.570 2.317 10 20 JECD O=S(=O)(c1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1)N1CCOCC1 912970274 ICFJLFIHIUCHPX-UHFFFAOYSA-N 460.625 2.447 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1 915744754 UZGCRIOUCKVHEA-UHFFFAOYSA-N 493.608 2.198 10 20 JECD COc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2=O)c(OC)c1 917833456 OHVWROOCYQKISL-MOPGFXCFSA-N 480.565 2.075 10 20 JECD Cn1ccnc1[C@@](O)(CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F 918205242 KDZUOYAXHROCHO-FQEVSTJZSA-N 473.471 2.160 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3cccc(CS(C)(=O)=O)c3)cc2F)C[C@@H](C)O1 919006236 RHXCZJWVOUKHAV-IAGOWNOFSA-N 492.569 2.457 10 20 JECD CCOCCOc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 920351101 OZXXSFFCSRFHCC-LJQANCHMSA-N 461.584 2.282 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cc(C(F)(F)F)ccc3=O)cc2F)C[C@H](C)O1 1251193500 KNOKXTHFJOPCBW-GJZGRUSLSA-N 499.461 2.479 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c(Cl)cccc13)C2)c1cc(O)nc(O)c1 1777852092 BFXMXNRGUFSVLU-WAIKUNEKSA-N 485.928 2.464 10 20 JECD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)n1ccccc1=O 1779530149 GURRINILPBUKRP-ZCLJVBCSSA-N 489.956 2.302 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)sc3Cl)C2)C1 1779800187 ITPFNLLWXUIVPF-KRWDZBQOSA-N 494.447 2.359 10 20 JECD O=C(/C=C/C1CCCC1)N1CC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1781278722 QMNDPQXMWNHAKF-VSFTXHECSA-N 450.539 2.356 10 20 JECD O=C(c1ccc2cncn2c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005646 SQPNWEOIRVPTCP-JOCHJYFZSA-N 456.886 2.156 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC(F)(F)F)C2 1783220031 NVGFFDXZWWRVCZ-MDPZIFFBSA-N 458.433 2.283 10 20 JECD CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C[C@@H]21 1784454040 WSPBCJBCEIFNIV-PMVMPFDFSA-N 487.622 2.122 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc(OC(F)(F)F)c3)C[C@@H]21)c1cc(O)nc(O)c1 1787294385 NMKZCDIKBHDRQH-WBAXXEDZSA-N 495.454 2.227 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3cnn4c3CCC4)CCC2)cc1 1792315017 TZCZQZHHAVOHOP-UHFFFAOYSA-N 469.592 2.437 10 20 JECD COc1ccc([C@H]2C[C@@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1793306533 SVEOLQBHWVLGHM-PPXDONFUSA-N 494.544 2.219 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nnsc1C1CC1)C1=NN(c2ccccc2)C(=O)C1 1797116216 RPHJYMQWRFCTAO-ACHSLPGTSA-N 464.551 2.460 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc2ccsc2[nH]1 1799945038 JABAJWWGBZFLCG-PZPAOMODSA-N 469.519 2.263 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ccncc13)C2 1802079433 IZWPDOMNBQWWGE-PGTXOHQNSA-N 475.501 2.268 10 20 JECD Cn1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)nc2ccccc21 1804285898 KWZKQLNVVPPHIO-KRHCQGPRSA-N 490.516 2.016 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cccc2cnccc12 1804333314 LAYOVJYIRRHAOU-MUJYYYPQSA-N 454.577 2.347 10 20 JECD COc1ccc(OCC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1807990779 ACBFJCFYBGTZAA-BXKMTCNYSA-N 478.505 2.295 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810547496 ZSXOYQHHMZYHFW-QGZVFWFLSA-N 474.558 2.347 10 20 JECD C[C@H](Nc1ccccn1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810570824 AMTVMZJSZWTNLB-GIMINZRKSA-N 462.510 2.103 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccn2nccc12 1812153318 FCJLUQHCQQXIKO-KSFYIVLOSA-N 458.478 2.169 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)[C@H]3CNc4ccccc43)sc2C1 1815037758 PADZSWFHTSIMMO-YPMHNXCESA-N 487.632 2.125 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1815231131 KEIKDEGSQVYYOI-ABAIWWIYSA-N 484.962 2.461 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@@H]1CC(=O)N(C2CCCC2)C1 1815612362 NQPSFSOQLHHMNV-CRAIPNDOSA-N 482.541 2.313 10 20 JECD C[C@H]1CCc2c(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)CN3C(=O)CSC3=S)CC4)n[nH]c21 1818343990 AOOGKGUSJXXSEA-VHSXEESVSA-N 490.636 2.002 10 20 JECD C[C@@H](Cn1cncn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1820076052 AEMUOLYGEWGRTH-JQWIXIFHSA-N 476.946 2.361 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc2ccnn2c1 1821512514 PUAHTXGCUZTPAC-MRXNPFEDSA-N 483.579 2.224 10 20 JECD Cc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)n(C(F)F)n1 1821572167 WXYGPTOMXAFVNJ-SNVBAGLBSA-N 464.454 2.389 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccccc3F)sc2C1 1821859044 GXKQRGKBHLQDKU-JTQLQIEISA-N 464.569 2.368 10 20 JECD C[C@H](Cn1cncn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716663 UDONLEUCVCLCOH-AUSIDOKSSA-N 491.596 2.327 10 20 JECD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)c1ccc(Cl)cc1 1830261229 RZVHNMDDKOFOBC-WNSKOXEYSA-N 475.929 2.020 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)CCn2cncn2)CC1 1832120208 WBYQCZIHCQEIIK-WSSFADSRSA-N 469.542 2.118 10 20 JECD CC(C)OCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833137182 JTQYJHZVLBMIIU-UHFFFAOYSA-N 453.967 2.361 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc4c(c3)C(=O)CC4)CC2)CC1)c1cc(O)nc(O)c1 1834987296 KOQVUKBWBBAPDD-UHFFFAOYSA-N 478.549 2.121 10 20 JECD COC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348794 MSLDDOPROHVGHG-AFMDSPMNSA-N 469.582 2.447 10 20 JECD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)ccc1O 1839433099 LDMVEGXDEJMSNT-QHCPKHFHSA-N 476.913 2.149 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c(F)c1 1840881237 KEJYWPRLJQZABD-CIFMFNLYSA-N 486.496 2.034 10 20 JECD CC(C)(C)OC(=O)N1CC=C(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1843441325 XKLSAUNFRBJAPA-UHFFFAOYSA-N 493.564 2.160 10 20 JECD COc1ccc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c(OC)c1 1843442337 BJYBJRNQEJTHDP-UHFFFAOYSA-N 462.506 2.314 10 20 JECD CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CC(=O)OC)s2)c1 727251073 PYDJYIRQFSBLCV-UHFFFAOYSA-N 481.577 2.235 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3cc(S(=O)(=O)NC(C)C)ccc3F)CC2)cc1 742919983 NJXMOIYDRMHJTR-UHFFFAOYSA-N 478.590 2.073 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cccc(Cn4cccn4)c3)CC2)cc1 915743746 NAHLBBRTTFLMTI-UHFFFAOYSA-N 476.581 2.207 10 20 JECD Cc1cc(CCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c(C)n1-c1ccccc1 915749736 YPSKBBDXXHRIJG-UHFFFAOYSA-N 459.550 2.328 10 20 JECD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 915779215 ZCLWOUGYAGISQP-UHFFFAOYSA-N 456.568 2.326 10 20 JECD COc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918043761 XMYNKVIKDNLGBC-GOSISDBHSA-N 453.543 2.420 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)cc2F)C[C@H](C)O1 918286887 LRPHKVSISMIGHZ-ROUUACIJSA-N 498.555 2.167 10 20 JECD CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 918442583 KEXHPTZJZWRJCC-UHFFFAOYSA-N 458.946 2.163 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)COc3ccc(I)cc3)nc12 918884071 MPCOKONDTZKAHD-UHFFFAOYSA-N 497.245 2.338 10 20 JECD COc1ccc(N2CCCN(S(=O)(=O)c3ccc(NS(C)(=O)=O)cc3F)CC2)cc1 919957963 IYBZPYKDJLMGFK-UHFFFAOYSA-N 457.549 2.107 10 20 JECD CCSc1cccnc1C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1780463097 VSPYIUSSWWWUSL-RUZDIDTESA-N 493.589 2.430 10 20 JECD CN(C)c1c(F)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)cc1F 1781176826 RHPZLSODEKNWOE-HOYKHHGWSA-N 490.507 2.278 10 20 JECD COc1cc(C)c(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1OC 1781898364 OIQYNQCQRYYOJK-MXDXTTGUSA-N 498.532 2.286 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1782008447 AQDSIOPHMMAXNC-MBSDFSHPSA-N 457.914 2.232 10 20 JECD CCC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1783189729 IMMCWUXJMJIEPH-LYHRCORUSA-N 481.977 2.184 10 20 JECD C[C@]1(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)CC=CCC1 1784754018 WNOCRTAGJAJRDM-LOSJGSFVSA-N 450.539 2.356 10 20 JECD O=C(CCN1C(=O)C=CC1=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1786555626 NSVBCUWKDRDXER-UHFFFAOYSA-N 499.527 2.229 10 20 JECD O=C(CN1C(=O)CNC1=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1 1786641224 URHXQVJAANXJTD-UHFFFAOYSA-N 472.885 2.051 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cc(C(F)(F)F)c[nH]1 1787593469 HXWAHJBWCRDBIQ-OPRXMZFISA-N 495.454 2.457 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(-c4ccccc4)n3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243468 OKKSMJRZZGGWAR-VHFSOBRXSA-N 497.939 2.239 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)CCc3cncnc3)CCC2)cc1 1792313990 RTFWNJFUCJEGJZ-UHFFFAOYSA-N 469.592 2.404 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1Cc3ccccc3C1=O)C2)c1cc(O)c(O)c(Cl)c1 1799769542 WVBQJLXTBOBKDL-FAQVEIGNSA-N 499.951 2.001 10 20 JECD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c(C(F)(F)F)o1 1802080104 KKVKUSYVKKCZFP-RQXKGGGESA-N 497.426 2.035 10 20 JECD Cc1cc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1F 1804340064 HCVQUEHEGIMHFQ-CLLJXQQHSA-N 453.536 2.385 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cnn2cccc(F)c12 1812282072 JOAAINMXSIRRJC-YCRPNKLZSA-N 476.468 2.308 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)[C@@H]1Cc2ccccc2N1 1812434505 YTFHVAMJIVBBEU-DHJUGAMNSA-N 459.506 2.244 10 20 JECD O=C(CCCn1cccc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1813454613 HOYLTMSLYVBGKX-PGRDOPGGSA-N 485.635 2.230 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)cc1 1814809442 VDOKNNNFWXURRY-MJGOQNOKSA-N 494.621 2.369 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3nccnc3c1)CC2)c1cc(O)nc(O)c1 1816724742 FTTOKSREONIACP-CYBMUJFWSA-N 462.491 2.432 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1822193616 PSYVXVCMKXGKKX-ZCWUUALQSA-N 488.504 2.432 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccn2)CC1 1825332516 KRWSTZGRZWEPCF-IBGZPJMESA-N 474.652 2.494 10 20 JECD CCc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)n[nH]1 1827293973 QIJIBEVJLOUGPL-QGZVFWFLSA-N 463.629 2.066 10 20 JECD Cc1cc(CCC(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)ccn1 1828239699 CNYJZYGTWFZHPD-CQSZACIVSA-N 489.648 2.252 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)c3ccc(=O)oc3)CC2)CC1 1837589535 FWRWHHOWNUJBMA-GORDUTHDSA-N 484.505 2.082 10 20 JECD O=C(Cc1ccccc1F)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1837710856 UDJQMPJGTGQZTJ-UHFFFAOYSA-N 493.626 2.227 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)c3cc(O)no3)CC2)CC1 1838482519 XXPKFXLKKGLSPE-UHFFFAOYSA-N 465.890 2.371 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)[C@]3(F)CCCC=C3F)C2)C1 1840881700 KBDISXOCOBUOQZ-YIGOKMEQSA-N 494.491 2.019 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)C1 1842284614 YJBJCQWPXOGRIV-UHFFFAOYSA-N 491.545 2.032 10 20 JECD CC(C)(C)OC(=O)NCC1(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)CC1 1843440872 PNKWPHNOWROZRY-UHFFFAOYSA-N 495.580 2.288 10 20 JECD O=C(CN1CCc2sccc2C1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441336 ZBPANDICSBETQP-UHFFFAOYSA-N 477.590 2.103 10 20 JECD CCOc1cccc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1O 1845490648 DGFWKAVFZKRDMD-UHFFFAOYSA-N 462.506 2.401 10 20 JECD O=C1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc(O)c(O)c2O)CN1Cc1ccccc1 1847714376 UZQWANBSMJGMKP-TWZUUWRDSA-N 491.544 2.067 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(S(N)(=O)=O)o3)c2C)cc1 106104973 LWNHMNNEKMIMGO-UHFFFAOYSA-N 460.464 2.161 10 20 JECD COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 731049199 PUIDCYPBHVOXMO-NRFANRHFSA-N 459.635 2.291 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CS(=O)(=O)c3cccc(Br)c3)CC2)cc1 742920775 UACAGTQSPCVRRW-UHFFFAOYSA-N 496.427 2.170 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)CC2)cc1 743432206 JBRFKHXOHACZPN-DEOSSOPVSA-N 482.581 2.130 10 20 JECD CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(F)c(N4CCOCC4)c(F)c3)cc2)CC1 857493868 DSEQYWVRSOGYKZ-UHFFFAOYSA-N 458.509 2.400 10 20 JECD COC(=O)c1cc2cc(NC(=O)C(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)ccc2o1 915744498 LRWKZTYOPSWPMS-UHFFFAOYSA-N 494.548 2.495 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)N[C@@H]1CCCCNC1=O 918096472 SKUUOIDTKVQCRP-OZYJXZHSSA-N 468.398 2.435 10 20 JECD COc1ccc2c(c1)C[C@H](C(=O)OCC(=O)NCc1ccc(N3CCOCC3)c(F)c1)CO2 919101270 ZNOLYUSQCWOUSD-SFHVURJKSA-N 458.486 2.082 10 20 JECD COCCOCCNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 920298611 GCGBBYFCQQVZAC-GXDHUFHOSA-N 459.387 2.430 10 20 JECD CN(C)c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1 1777852773 TZTJCSMRMJIIOU-NTKDMRAZSA-N 454.527 2.000 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3cc(F)c(F)cc3F)C2)C1 1781582673 ZFOPCAJBGIETNE-DEOSSOPVSA-N 486.450 2.340 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc(-c2cc(F)cc(F)c2)[nH]n1 1785756916 GISRDYNPCBCQKC-JTBRQZTESA-N 499.474 2.068 10 20 JECD Cc1csc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1 1787537216 FKRIYFRRYBAEDQ-QRFRQXIXSA-N 466.563 2.443 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)ccc1Br 1789676701 VDSBXDDKNWOKJW-ZVZYQTTQSA-N 490.354 2.471 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)Cc3cncnc3)CCC2)cc1 1792314036 MZJDYLDESMOFAT-UHFFFAOYSA-N 455.565 2.014 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(OCC(F)(F)F)n1)c1cc(O)nc(O)c1 1794643117 RHHGYYQFFSGSCH-BTTYYORXSA-N 466.416 2.395 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CNCP(=O)(O)O)cc1 1795965890 SJZKGXLMLBKTBY-NUZGMZIFSA-N 474.498 2.071 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Cl)ccc(Cl)c1O)C2)c1cc(O)nc(O)c1 1796140332 KQWNUOPMIMEFNM-YQYWCBKUSA-N 468.293 2.022 10 20 JECD COc1cc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c(C)c1 1796481222 VTUBCUQOOFYVAR-HBNMSFMJSA-N 490.560 2.308 10 20 JECD CCOC(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)OCC 1796935042 QIDARVZESHLGPV-GGPHIMKMSA-N 456.543 2.207 10 20 JECD CSCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799622532 RVTVGQIUAQMKQF-IRMYBRCSSA-N 471.623 2.411 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2cccnn2)cc1 1801350357 QDKKLABGOJBUTD-GQEURGSBSA-N 475.549 2.166 10 20 JECD CCC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O)n1cccc1 1802080048 GQPCFJJZZIFWJM-GDMOVEKKSA-N 469.538 2.249 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3n[nH]cc3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993360 ILTAZROQHZIXEX-OPAMFIHVSA-N 458.478 2.398 10 20 JECD COc1ccc(CCC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cn1 1807993692 MATANQJONBTIKZ-MHECFPHRSA-N 477.521 2.244 10 20 JECD Cc1ccc(C(=O)C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1807999624 VGXPGCLNHGANKQ-PGRDOPGGSA-N 460.490 2.399 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(-c2ccccn2)[nH]n1 1810929261 OGOCDDIMNZRJES-WAIKUNEKSA-N 485.504 2.306 10 20 JECD COc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccc1O 1811942715 LNPPDGYMGNHRHA-ZHRRBRCNSA-N 464.478 2.235 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812028416 UFVUZVCGANWVOO-IVZQSRNASA-N 493.476 2.443 10 20 JECD C[C@H](Cc1ccncc1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1812336044 DRARSRUZRRSHLI-ICPLQIHGSA-N 461.522 2.481 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CC(F)(F)C(=O)O)[C@H]1c1cccnc1 1814163683 IEDFPRWHARFMAE-DNBICOFOSA-N 491.447 2.028 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc(Cl)nc2)[C@@H]1c1cccnc1 1814184675 CUTDNUIRBXNFNJ-AUUYWEPGSA-N 490.010 2.310 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cccs2)[C@H]1c1cccnc1 1814186691 VYFHCQRCKKBMCE-KDOFPFPSSA-N 460.606 2.323 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c(C)n1C 1814190085 QCYQNTYVTBSKEC-UTKZUKDTSA-N 485.635 2.217 10 20 JECD C=CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1820147801 KTUQGCVWSQQNET-KOLCDFICSA-N 464.931 2.124 10 20 JECD Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)nn1C(F)F 1823499986 IZXBWNOLHLFIBH-CYBMUJFWSA-N 497.553 2.476 10 20 JECD O=C(CCn1cncn1)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823713176 GSGBLMPGQVBBFG-NSHDSACASA-N 462.919 2.115 10 20 JECD Cn1nc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)cc1O 1825458862 LXOSHMDDKPMQHH-NRFANRHFSA-N 478.553 2.152 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(F)cc1)CC2 1828246582 CATYBKUNHDAEKY-LBPRGKRZSA-N 464.569 2.368 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3nc4ccccc4o3)CC2)CC1)c1cc(O)nc(O)c1 1834987226 HXXZYGFMSASETE-UHFFFAOYSA-N 465.510 2.133 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2csnn2)C1 1841696000 VYCTYNMCOSDYCE-QGZVFWFLSA-N 486.598 2.073 10 20 JECD COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1[C@@]1(C)NC(=O)NC1=O 116038643 YYDJVFHULBHGFZ-HSZRJFAPSA-N 472.567 2.219 10 20 JECD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](C)c2cc(OC)ccc2O)o1 729536359 ZSKQAQHKUMKZGZ-BBRMVZONSA-N 466.512 2.201 10 20 JECD NC(=O)C1CCN(c2ncccc2CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 729610881 DAUGJGBBNQMIIL-NRFANRHFSA-N 467.570 2.380 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 915303987 MRSLOEUMSLSAAH-UHFFFAOYSA-N 474.583 2.208 10 20 JECD COc1cc(OC)cc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c1 919792088 SXESXVIDDXQAHZ-UHFFFAOYSA-N 468.554 2.208 10 20 JECD Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 920868456 FHUMHFVBVCHBEJ-KRWDZBQOSA-N 491.614 2.295 10 20 JECD COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2)[nH]1 920886645 NRNMWZGYZSMPJL-KRWDZBQOSA-N 464.522 2.209 10 20 JECD CCOC(=O)c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1 1777852771 TWVWKKSRILMZAL-KBMIEXCESA-N 483.521 2.111 10 20 JECD Cc1oc2cc(O)ccc2c1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1777883481 WCTYQXBUGJNKPQ-QHCPKHFHSA-N 453.451 2.010 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C13CC(F)(C1)C3)C2)C1=NN(c2ccccc2)C(=O)C1 1778126689 JEOMZTKZHIBLTJ-BAMMKIQZSA-N 468.529 2.185 10 20 JECD CC(=O)Nc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1778256008 CCWQXMZOSHLLMT-XMMPIXPASA-N 487.940 2.396 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3Cl)C2)C1 1779369943 ZQMXVSHLJYEEHQ-YSNSILARSA-N 459.886 2.009 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 1784158502 AYMHWXRCNJFWIB-GWKKSSCLSA-N 473.476 2.168 10 20 JECD CCOc1ccc(Cl)cc1C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785544981 GMABVQGBFJRGGU-NRFANRHFSA-N 498.026 2.043 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1cccc2ccccc12 1787805421 QHFYTLIPTNKRKI-VDGAXYAQSA-N 483.615 2.293 10 20 JECD O=C(Cc1cc2cccnc2cc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1789844498 DOTKGCQSEQLYNA-XERREHJYSA-N 480.496 2.016 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnc4ccccn34)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242912 BZIJSFOSVUZMAY-VHFSOBRXSA-N 484.940 2.235 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cccnc3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243012 NCNSWXCJFUWSIX-PBDUMINYSA-N 457.914 2.453 10 20 JECD CS(=O)(=O)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1792771737 HHDFFOGQHMJIHZ-GFPDGJBOSA-N 486.546 2.172 10 20 JECD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c(Cl)c1 1796482685 OSMVQSASOXUNJS-RSQQPWMTSA-N 496.951 2.345 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(F)CCCCC1(F)F 1797807020 OJKDPOZDKSMLRG-YFQWEKLQSA-N 463.547 2.403 10 20 JECD CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1803722799 GRASEXSKXWRXFX-ZFTWXYHOSA-N 496.564 2.080 10 20 JECD Cc1noc(C)c1CC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804244284 KALXHQAXZHHYNT-AOMKIAJQSA-N 451.483 2.055 10 20 JECD O=C(Cc1ccsc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1807564365 GFEQEDPBORRTKT-JXFKEZNVSA-N 474.633 2.252 10 20 JECD C[C@H](Cn1ccnc1)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808470911 ZVHXCQQLGNTYLE-ZJCBTPCYSA-N 499.575 2.413 10 20 JECD COc1cncc(CCC(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)c1 1810547409 ODVYJEZXQSZAHP-UHFFFAOYSA-N 454.527 2.374 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)c3cccn4c(O)nnc34)C2)CC1 1810771973 NYICDQVIXDASGU-FNORWQNLSA-N 493.520 2.110 10 20 JECD O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812502507 IPERLLDIVADFLA-WAIKUNEKSA-N 495.467 2.497 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)Cc2ccccc2)[C@H]1c1cccnc1 1814185595 CXBVECXXOGKRIP-GCJKJVERSA-N 468.604 2.190 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cccc4nc[nH]c34)sc2C1)c1cc(O)nc(O)c1 1816734279 KZWXGTRAQXIDNO-LLVKDONJSA-N 450.480 2.365 10 20 JECD CN1CCN(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CC1 1817154929 OEKDLUYUAHYRJE-SFHVURJKSA-N 490.992 2.418 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1819617851 LCOGQBDBMBTMNU-CJNGLKHVSA-N 451.487 2.417 10 20 JECD C[C@H](Nc1cnccn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428117 ISVTXIHYEBEMLT-MAUKXSAKSA-N 454.531 2.017 10 20 JECD CC(C)(C)OCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896913 TWZXUGXPIFOZAN-INIZCTEOSA-N 455.646 2.282 10 20 JECD COc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c(OC)c1 1834988681 CYHJCTXFBAUBGG-UHFFFAOYSA-N 484.553 2.009 10 20 JECD Cc1noc(N)c1C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1837860990 WZYLNHBXVFWDKQ-HWKANZROSA-N 486.525 2.008 10 20 JECD CCc1ncsc1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838030405 YOUIKVJFWWIHLC-UHFFFAOYSA-N 460.556 2.438 10 20 JECD O=C(c1ccc2nc[nH]c2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433389 GGUWVTKICGRKPK-HSZRJFAPSA-N 486.912 2.011 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3Cl)C2)C1 1840881152 FURUUQUCIOTJCF-HLZSCNFSSA-N 488.924 2.240 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1841211496 FBCNBLRALPQBSE-LBPRGKRZSA-N 453.923 2.481 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)Cc2ccc(C(F)(F)F)cc2)C1 1842723791 HKHHQRBFMNSENK-UHFFFAOYSA-N 471.526 2.312 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)C1 1846357265 CCDQTWKSYBVBJH-DOTOQJQBSA-N 474.558 2.393 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)c1ccco1 1848121296 PRPJYHVCTXUQLZ-AABGKKOBSA-N 496.564 2.382 10 20 JECD COc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(O)nc(O)c2)c(NC(=O)OC(C)(C)C)cn1 1848275472 JVDNNRSAECYBPZ-IRXDYDNUSA-N 499.524 2.373 10 20 JECD CN(c1ccc(CNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1)C1CCCCC1 742760056 HGQOWSYAGXKYMQ-UHFFFAOYSA-N 455.603 2.432 10 20 JECD CN(c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1)C1CCCCC1 743414785 WLSZPJIHDXGTHK-UHFFFAOYSA-N 464.570 2.042 10 20 JECD COc1ccc(-n2c(C)cc(C(=O)N3CCN(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)c2C)cc1 914761774 BANIRPCXYKDZBF-RTBURBONSA-N 490.626 2.215 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cccc(-c4nnco4)c3)CC2)cc1 915744963 WUXQFVCOZSYFPX-UHFFFAOYSA-N 464.526 2.012 10 20 JECD Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)no1 917832938 IKVAJLZANPPNEC-NVXWUHKLSA-N 459.572 2.061 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)C1 918117179 IFKQUWFAJATJHP-IBGZPJMESA-N 466.542 2.328 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1cccc(N2CCCC2=O)c1 918439449 KTOWUEPVNSLAOU-UHFFFAOYSA-N 454.502 2.169 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)cc2)C1 918464896 DDGVYERSZDRIPO-AUSIDOKSSA-N 480.565 2.201 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3sc4nc(COC)nc(OC)c4c3C)nc12 918922371 PQUIIDUPVLJDAI-UHFFFAOYSA-N 487.494 2.437 10 20 JECD CCNC(=O)Cn1c(=CC(=O)c2ccccc2C)sc(=Cc2ccc(N3CCCC3)cc2)c1=O 1317894480 AIXOCSWOSPOKFA-UHFFFAOYSA-N 475.614 2.447 10 20 JECD O=C(Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(N3CCCC3)cc2)c1=O)NCc1ccco1 1321783290 KPDLKZCPSVJPGI-UHFFFAOYSA-N 477.586 2.008 10 20 JECD O=C(CNc1ccc(F)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782002626 UOSJGZDTOMXIOW-JOCHJYFZSA-N 463.893 2.446 10 20 JECD O=C(c1ccc2c[nH]nc2c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003019 ZAQSVROCSLCOAW-JOCHJYFZSA-N 456.886 2.385 10 20 JECD O=C(c1ccc2ncncc2c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005610 RCCBNXZTXMLYAB-HSZRJFAPSA-N 468.897 2.452 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3ccnc4c(O)cccc34)C2)C1 1782503222 CYXIZLBUNDYTJY-MHZLTWQESA-N 499.527 2.177 10 20 JECD Cc1cccc(F)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783247045 NRHRSSZGGNCZQM-OPAMFIHVSA-N 479.599 2.122 10 20 JECD Cc1cccc(F)c1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1784938399 FDNWWTSKHPLJRF-YFTVHVBSSA-N 456.470 2.408 10 20 JECD CCn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c2ccccc21 1796023803 UMGFLGVUPVIQCD-JKURJYBESA-N 492.532 2.090 10 20 JECD CCOC(=O)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)c1F 1799232022 MULJEFAHAOZLQG-QDMKHBRRSA-N 457.458 2.374 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c(O)c1 1800469878 NENKWOSGWRPYRK-CLLJXQQHSA-N 498.424 2.267 10 20 JECD Cc1cccc(CCC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)n1 1804294225 JYUMHIBOSYCINE-WZONZLPQSA-N 497.646 2.284 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1n[nH]c2c(Cl)cccc12 1804336011 QGUOXOWMODJSRR-ZSBIGDGJSA-N 477.999 2.328 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994314 GPYGJYXILRTKTO-GAJHUEQPSA-N 485.504 2.306 10 20 JECD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n[nH]1 1810424204 FJUSSXIHAOLJFQ-WZMUZEJKSA-N 477.521 2.192 10 20 JECD Cc1cnc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cn1 1814161700 BDYHCLMGNWVCOR-IAADTXTGSA-N 475.505 2.330 10 20 JECD Cc1ccn(CC(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1814162969 SQEIUWQMDFZJLI-JSBPENQTSA-N 477.521 2.123 10 20 JECD C[C@H]1Oc2ccc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cc(O)nc(O)c3)CC4)cc2NC1=O 1821398722 ZAPJDBAELIALCR-MFKMUULPSA-N 495.517 2.208 10 20 JECD O=C(Cc1ccccc1O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822014883 NJNDHOLKJBNVDO-OAHLLOKOSA-N 473.580 2.210 10 20 JECD CN(C)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1 1822084824 ALFYALVJIABTDF-CYBMUJFWSA-N 489.648 2.295 10 20 JECD NC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)c1ccccc1 1826978685 GEAJRBJLRZVMAY-RTWAWAEBSA-N 452.555 2.469 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)nc3sccn23)CC1 1829561566 OMXNMWLHIVGPJJ-MRXNPFEDSA-N 483.550 2.109 10 20 JECD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)C1 1832896801 QFEZKOAWYGNVOY-RCCFBDPRSA-N 495.667 2.056 10 20 JECD O=C(c1ccc2nonc2c1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901947 GVSKBJXVUVVDRB-SFHVURJKSA-N 487.607 2.316 10 20 JECD Cc1ccc(OCC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834988213 UIAVCLJGJMWQPR-UHFFFAOYSA-N 468.554 2.065 10 20 JECD CN(C)c1cccc(OCC(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1841907761 MFPMYRUDGNJHNI-UHFFFAOYSA-N 475.549 2.128 10 20 JECD CC(C)(C)OC(=O)CCCC(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441107 MUSKVZFPXWGCIQ-UHFFFAOYSA-N 468.554 2.495 10 20 JECD Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)cc1 725812525 LOYRXIOGDNTKMN-OAQYLSRUSA-N 458.628 2.368 10 20 JECD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 726706944 VXOYNDATPIVUPZ-UHFFFAOYSA-N 489.617 2.481 10 20 JECD COc1ccc(N2CCC(NC(=O)N3CCN(CC(=O)N4C[C@@H](C)C[C@H](C)C4)CC3)CC2)cc1 726716758 PLVMQRYOXNKTEH-SFTDATJTSA-N 471.646 2.496 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cc(F)c(S(C)(=O)=O)c(F)c3)cc2F)C[C@H](C)O1 727613051 XBSABBSBXIIKFJ-STQMWFEESA-N 499.511 2.376 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1OC 728016308 WMFWLIHYNWVDEN-UHFFFAOYSA-N 459.933 2.406 10 20 JECD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 729057756 LBSWJTQMAMUXSU-FQEVSTJZSA-N 487.578 2.321 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cccc(CN2CCCCC2=O)c1 747996237 WIDJTNUGZSMUIZ-UHFFFAOYSA-N 468.529 2.430 10 20 JECD COC(=O)c1c(C)nc(O)nc1SCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 750492181 GPMOMUMPANMRTG-UHFFFAOYSA-N 490.563 2.307 10 20 JECD C[C@H](OC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 845930717 VNTNEIISDLDLAT-VNZOLEPBSA-N 498.491 2.139 10 20 JECD Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)c2C)c1 914654568 NSKZAJZUINSCIY-UXHICEINSA-N 486.590 2.472 10 20 JECD COc1cc(F)c(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1OC 917929358 FDIARFQMOYWVJB-OAHLLOKOSA-N 451.520 2.023 10 20 JECD CCNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 918286830 KSRCEFFYDFWPCK-HOTGVXAUSA-N 456.518 2.444 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 918441127 WKOGVMGPAURAEI-QFIPXVFZSA-N 484.528 2.159 10 20 JECD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C2CC2)cc1 918455367 BJJYXCHVMZIILY-UHFFFAOYSA-N 456.568 2.323 10 20 JECD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 918457851 XRSYOBJSTUKXFC-UHFFFAOYSA-N 486.594 2.332 10 20 JECD COC1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCN(C(=O)OC(C)(C)C)CC1 918672323 IAEUGVDFAXUQKA-LJQANCHMSA-N 474.602 2.421 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccccc3OCc3noc(C)n3)nc12 918926723 GWNBQRHDPPDLKG-UHFFFAOYSA-N 453.411 2.239 10 20 JECD O=C(COC(=O)c1ccn(-c2ccc(F)cc2)n1)NCc1ccc(N2CCOCC2)c(F)c1 919105158 NOMOBAKZZYTQJN-UHFFFAOYSA-N 456.449 2.460 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@@H]1CCN2CCC[C@H]2C1 919782754 DSALREXETXVIGG-UXHICEINSA-N 453.566 2.368 10 20 JECD CCN(C)C(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2ccc(N3CCCC3)cc2)c1=O 1318043742 CWLZRPIFSGMALV-UHFFFAOYSA-N 455.624 2.213 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCCN(C(=O)c4ccccc4)C3)cc2)C1 1318299131 YNBVXISIIDKYQR-YADHBBJMSA-N 463.582 2.492 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@]1(F)CCCC=C1F)C2)c1cc(O)nc(O)c1 1777851253 DWYHUKOZEARJPC-HVETUWLQSA-N 451.470 2.366 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccnnc4O)C3)C2)cc1 1779920694 PPXVWWWFLQUVDN-RUZDIDTESA-N 461.522 2.347 10 20 JECD COc1cc(F)c(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c(F)c1 1781709270 QDKLBCDLHBGMAE-JURIHQFCSA-N 490.459 2.247 10 20 JECD C[C@@]1(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)CC=CCC1 1784754017 WNOCRTAGJAJRDM-JWQCQUIFSA-N 450.539 2.356 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1occc1Br)CCO2 1785505380 GQBGVSKSJZXEHU-ZZNNXKBLSA-N 493.310 2.316 10 20 JECD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)n(C)n1 1787377557 PAWNNORKRLMKMT-UHFFFAOYSA-N 457.581 2.337 10 20 JECD C[C@H]1CCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787539788 UXXGWTKGBCJTKB-SFLIQHQYSA-N 452.555 2.195 10 20 JECD CN1CCN(CC(=O)Nc2ccc(C3(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CCC3)cc2)CC1 1789179287 UEJYJCBDNIIUQW-UHFFFAOYSA-N 488.592 2.161 10 20 JECD CCN1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)CC1 1790245546 MJNLOOYQAXIETF-KNBMTAEXSA-N 465.978 2.076 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)s1 1792218451 FMUSQSSOBVWPIA-RPTOOPIJSA-N 458.536 2.480 10 20 JECD CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796603936 ALNKDCBYPNULAB-QDMKHBRRSA-N 494.957 2.083 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccc2nc[nH]c12)C1=NN(c2ccccc2)C(=O)C1 1796678153 ZOFVCIJBAHKUAG-ACHSLPGTSA-N 457.494 2.003 10 20 JECD Cc1onc(-c2ccncn2)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1799180775 GQCKEPWMNSGOIJ-GGPHIMKMSA-N 499.531 2.485 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799767926 BHITVGKKFRWDLY-PJKMLTEKSA-N 459.930 2.228 10 20 JECD Cc1cnc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cn1 1805556781 XMHWNZBIYBTMKF-IAADTXTGSA-N 475.505 2.330 10 20 JECD O=C(Cc1cncnc1)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1807177520 NOCDGVQABACUGL-UHFFFAOYSA-N 460.538 2.043 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc2cccn2cn1 1809446812 OCHLALNSPYRLGI-OPAMFIHVSA-N 458.478 2.169 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c(C)o1 1814185708 FBNZPAYEFOSGOL-OXJNMPFZSA-N 472.592 2.471 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCS2(=O)=O)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821294615 MLGLTRIPUYFEMH-GOEBONIOSA-N 482.946 2.357 10 20 JECD Cc1cc2nnc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)c(C)n2n1 1827427627 NBCFUNHUOZQFOV-SFHVURJKSA-N 479.541 2.094 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCSC3)sc2C1 1828163549 MXZWXCVENBQNRR-GHMZBOCLSA-N 470.667 2.059 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccncn4)C3)C2)cc1 1839348568 VXJZNPYYVFXKBC-AREMUKBSSA-N 475.549 2.268 10 20 JECD C[C@@H](C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2)n1ccnc1 1841465795 OQIJJIKLKFYDHA-GHTZIAJQSA-N 496.612 2.366 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845500571 QAJDTXWCMRIMNM-LBPRGKRZSA-N 453.923 2.481 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3cncc(Br)c3)CC2)cc1 744238591 NDMPKUWKTYKULH-UHFFFAOYSA-N 469.405 2.343 10 20 JECD CN1CCCc2cc(CNC(=O)N3CCN(S(=O)(=O)N(C)C4CCCCC4)CC3)ccc21 746983008 LIZQZURVXQLWCT-UHFFFAOYSA-N 463.648 2.406 10 20 JECD O=C(NCc1ccccc1O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 748484978 BNGPWYPIDCHTCU-UHFFFAOYSA-N 451.932 2.475 10 20 JECD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 751405865 NOHJPDBAOAXGQI-FQEVSTJZSA-N 477.583 2.188 10 20 JECD O=C(NCc1ccc(N2CCCC2)cc1)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 915197979 RPHDVBOYEHEIRW-UHFFFAOYSA-N 496.589 2.492 10 20 JECD COc1cccc(C[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n2nnnc2C)c1 915699489 JEDNLDOVOBNHNX-QHCPKHFHSA-N 450.543 2.269 10 20 JECD Cc1oc2c(CN3CCN(C(=O)CN4C(=O)CCC4=O)CC3)c(O)ccc2c(=O)c1-c1ccccc1 918182391 XRVWIZOBLXRSTP-UHFFFAOYSA-N 489.528 2.267 10 20 JECD CCN(CC)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1 918229603 JWWLMNMYJFSXCA-UHFFFAOYSA-N 485.610 2.244 10 20 JECD CCN(CC(=O)Nc1ccccc1OC)C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 920255255 UFXPUCIWHJIYHS-BUHFOSPRSA-N 480.565 2.396 10 20 JECD C[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccc(N2CCOCC2)cc1 920880452 ABVUDKVVJYVSLR-QGZVFWFLSA-N 456.568 2.295 10 20 JECD C[C@@H](NS(=O)(=O)c1ccc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 920980688 WEQGUFHHHDQBTO-LLDVTBCESA-N 460.556 2.136 10 20 JECD Cn1ccc2cccc(C(=O)N3CC[C@@]4(CN(C(=O)C5=NN(c6ccccc6)C(=O)C5)CCO4)C3)c21 1777967857 OEVARXKAATYBFS-MHZLTWQESA-N 485.544 2.415 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ncc(C(F)(F)F)cc3Cl)C2)C1 1779736729 JTTQVONYKXRBAG-LJQANCHMSA-N 486.834 2.317 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3ccoc13)C2 1783245902 LRGHJTSABOGVLN-UZUQRXQVSA-N 487.603 2.421 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3cccc(Cl)c31)CCO2 1785546441 FNJIQMKQGJYXGG-IVZQSRNASA-N 494.038 2.060 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccccc1-n1nccn1 1790166272 GJUUMSGYCJSUKH-LFRPXUGBSA-N 497.939 2.239 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242513 UHVNLRFFNYYRIP-VHFSOBRXSA-N 489.912 2.495 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ccccn4n3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790244983 JTEXWYSAYKHULT-RISOHXOYSA-N 470.913 2.306 10 20 JECD Cc1ncc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)s1 1790246006 CCXPPZYTXYHWAL-QITLCBANSA-N 465.959 2.352 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccnc2ncccc12 1790403649 XUQVHBWAFLOXNH-IWSQUXHHSA-N 490.516 2.053 10 20 JECD COC(=O)NCC(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1791750071 HDFLHAHUSIKLAK-UHFFFAOYSA-N 463.494 2.269 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCSC(=N)N)cc1 1795591368 WQNOYBVYEGAKLR-HATOLVCRSA-N 469.611 2.314 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3cccc(F)c13)C2)c1cc(O)c(O)c(Cl)c1 1799767944 CZHCIVCUPVWMIZ-KSPBDQMDSA-N 474.876 2.284 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(C(F)F)c1)C2 1802080928 BFQDDAIROYEIIB-PZPAOMODSA-N 475.448 2.053 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1802977230 RGNMCGGEFFBXSN-XEYPJELSSA-N 461.522 2.280 10 20 JECD CN1CCCC[C@@H]1C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1805541871 BYRPGXQWBFXREO-JOCHJYFZSA-N 465.598 2.495 10 20 JECD CN1CCC[C@H](C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)C1 1807546828 ZDRMETHCBQMRQO-STWLZBDKSA-N 488.592 2.222 10 20 JECD Cc1noc(C)c1CC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807993208 GHSLXLMBBUUKHM-OPAMFIHVSA-N 451.483 2.055 10 20 JECD Cc1nc(F)ccc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807996087 XRSALJFPROKUQZ-VFNWGFHPSA-N 451.458 2.364 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)ccc2F)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998281 CVBMAHSLSPIPGO-QKKBWIMNSA-N 452.442 2.366 10 20 JECD C/C(=C\c1cccnc1)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1813396360 WBLQUCFMKYPMDM-ZMMSGNDHSA-N 495.630 2.446 10 20 JECD CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1813621013 ZTFBIFGLIXXOGL-JLMWRMLUSA-N 453.543 2.080 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1c1cccnc1 1814163416 AZZIOKGFHGWDLL-ROLFBGLLSA-N 453.495 2.097 10 20 JECD Cc1nc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)sc1C 1814190410 ZNUWZQYWRDYWOA-YJBOKZPZSA-N 489.648 2.335 10 20 JECD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)no1 1817364557 VQHPXZHCZDMARN-CYBMUJFWSA-N 464.507 2.458 10 20 JECD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)n1cccc1C=O 1817492787 VUJMBQYXJOQPRV-BBRMVZONSA-N 488.595 2.137 10 20 JECD COc1cnc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c(F)c1 1823497511 ZVTWPYCRHISHHM-CQSZACIVSA-N 492.558 2.119 10 20 JECD O=C(c1ccc2c(n1)OCCO2)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827425824 AKHAZJJJQXUIIV-SFHVURJKSA-N 468.510 2.206 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828250388 RJIQNLZFLNEQDX-JSGCOSHPSA-N 489.648 2.189 10 20 JECD Nc1n[nH]c(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)n1 1828805042 MCRPRARUNMCHNT-MRXNPFEDSA-N 476.965 2.318 10 20 JECD O=C(Nc1cccnc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1829044473 ISKXDNRWNKKGHK-FHVRUZERSA-N 494.548 2.470 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)COc2ccc(O)nn2)CC1 1831116208 PTTGHRCJERKZGH-QKYXPGDISA-N 498.536 2.011 10 20 JECD O=C(c1cc(O)n[nH]1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877431 KJIDPOMNGWVZAA-UABRLCRWSA-N 456.499 2.179 10 20 JECD O=C(c1ccn(C(F)F)n1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902203 ZPBRZHHDQNJPBU-HNNXBMFYSA-N 485.582 2.372 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)C1=CCCC1 1834375125 IYIUBYXQCSBDJH-SOFGYWHQSA-N 455.555 2.499 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3nnsc3C3CC3)CC2)CC1 1838031592 SMXDVXYGBLFIIH-UHFFFAOYSA-N 473.555 2.148 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1Cl)CCO2 1838868335 XHBCQKBPVPYYTN-YFTVHVBSSA-N 488.924 2.240 10 20 JECD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1839433237 ARMDCJFOHJAIRP-HSZRJFAPSA-N 476.913 2.144 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)[C@H]2CCc3ccccc3[C@@H]2O)C1 1841391783 HHULHRPPYKSUKJ-MBQYDLODSA-N 464.518 2.316 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)c1ccncc1)C2 1844251747 UTPYJHIHDVRZKM-IBGZPJMESA-N 496.564 2.446 10 20 JECD O=C([C@H]1CC(c2ccccc2)=NN1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845502194 ZOEIIQYXVGECOV-GOSISDBHSA-N 454.914 2.334 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])C1 1847049244 VAWMJWISRICHCQ-XVNBXDOJSA-N 471.441 2.310 10 20 JECD Cc1cc(C(=O)CSc2nnc(SCC(N)=O)s2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 24898823 MVXLVINIZMISBV-UHFFFAOYSA-N 497.649 2.145 10 20 JECD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(CC(=O)N4CCN(C)CC4)cc3)cc2)CC1 731131484 KBRGFOJNCDEALJ-UHFFFAOYSA-N 491.636 2.494 10 20 JECD CCOC(=O)CCCNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 913654790 RHEZZJACSNTJMS-UHFFFAOYSA-N 451.457 2.174 10 20 JECD CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918287690 RNIWUBSHVHYASO-HZPDHXFCSA-N 456.518 2.444 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NS(=O)(=O)N1CCCC1 919670455 YRVQOCRBTBPWTB-UKTHLTGXSA-N 490.426 2.107 10 20 JECD O=C(/C=C/c1ccccc1Br)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1784091557 PDUIZMLMOMSAFJ-IOUFHMPJSA-N 488.338 2.412 10 20 JECD O=C1C[C@H](C(=O)NC2(c3ccc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)cc3)CCC2)CN1 1788673725 FUOQFYMEITWKAZ-INIZCTEOSA-N 459.506 2.050 10 20 JECD C[C@H](Cc1ccco1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792221121 DCFSHNDREMCDDT-GTTWDHLJSA-N 470.522 2.268 10 20 JECD Cc1noc(N)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1795577215 JPDBLYTZZBBOQU-HATOLVCRSA-N 463.538 2.490 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cnnc2ccccc12 1796889215 SMIUYQVRAPHYLW-VTEUUUEMSA-N 468.897 2.211 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCN1Cc1ccccc1 1802681093 PIBRGZXSKZNATO-YRPNKDGESA-N 486.663 2.150 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)CCc3cnc[nH]3)C2)CC1 1806944360 FUMLYWXWDRSQGP-ZZXKWVIFSA-N 454.527 2.404 10 20 JECD Nc1c(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)sc2nccnc12 1807992881 DQHWBMNWFRWMRD-DJJJIMSYSA-N 491.533 2.108 10 20 JECD CC(C)CNC(=O)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1808447612 UDYSOICIBKUKAU-BEFAXECRSA-N 474.945 2.238 10 20 JECD CC(C)(O)CC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808468685 XFZVPDYTRFLHGH-MBSDFSHPSA-N 463.538 2.041 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1810207209 IMWRKJWDUDZBIO-CDMIOBSGSA-N 497.646 2.448 10 20 JECD Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1810398028 WQKSHXLNNXFYJM-RXFWQSSRSA-N 499.575 2.463 10 20 JECD O=C(c1cc(Cl)c2nncn2c1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810547256 VASQVZLSOMODTR-UHFFFAOYSA-N 470.917 2.348 10 20 JECD Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(C(F)(F)F)n1 1810816759 GZAWQILZRFQMEF-UGSOOPFHSA-N 490.442 2.274 10 20 JECD CN1CCCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162484 SRJBUHSLZXKQAG-JBPXZTLLSA-N 480.565 2.402 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cnoc2)[C@H]1c1cccnc1 1814163549 HGBAWXBJLDRCRH-XGBCVQCSSA-N 450.451 2.219 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)COc2ccc(O)cc2)[nH]n1 1823496535 JSOPRFSTIYAYGW-INIZCTEOSA-N 489.579 2.047 10 20 JECD C[C@@H](Nc1cnccn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428119 ISVTXIHYEBEMLT-QAPCUYQASA-N 454.531 2.017 10 20 JECD C[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)O1 1828198813 KRLAQIULFNYIKT-PAQMHRHSSA-N 459.524 2.453 10 20 JECD C[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)O1 1828407852 DVJDZRUJYJLHJP-DJIMGWMZSA-N 453.630 2.034 10 20 JECD COc1cc(C)cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834987379 MWUYVBREOIINTL-UHFFFAOYSA-N 468.554 2.309 10 20 JECD CC(C)(C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1836694770 PTARKSUMKHWNJS-NKOINVLESA-N 476.570 2.222 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)c3cnn4c3CCC4)CC2)CC1 1838703266 XKDXVIWCDDSUJH-GQCTYLIASA-N 496.564 2.272 10 20 JECD COc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1C 1839435377 JCXSLJZVFJFQTG-XMMPIXPASA-N 490.940 2.452 10 20 JECD O=C(c1cccc([N+](=O)[O-])c1Br)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250453 ANEXKKKRMVRPSI-UHFFFAOYSA-N 477.271 2.294 10 20 JECD C[C@@H](NNc1ccccc1)C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847035063 ROGIXZBHLBJNSQ-PXUDHTSWSA-N 452.511 2.025 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CCc3ccccc3[C@@H]2O)=NN1c1ccccc1 1847598167 ONVWPHBBPOLPIB-GIQJJWITSA-N 472.545 2.277 10 20 JECD Cc1nnnn1-c1cccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726725627 DIBMIPBOWGSBNG-UHFFFAOYSA-N 471.468 2.296 10 20 JECD Cc1nnc2ccc(C(=O)OCC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cn12 726814401 VXJRWLVSOVRUIL-GASCZTMLSA-N 455.490 2.264 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)ccc21 728637552 NHDYARRVGFQQDK-WMZOPIPTSA-N 450.557 2.095 10 20 JECD CSC[C@@H](C)C(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 731389651 CSGNDPIDGQSZNY-VJMCZWTHSA-N 482.605 2.275 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3cncc(Br)c3)cc2)C1 744243714 KFRPCTDKZVKMSJ-AWEZNQCLSA-N 453.362 2.024 10 20 JECD C[C@H]1CN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2)C[C@@H](C)O1 747557428 MBMASRMCSLVUNP-SVFBPWRDSA-N 493.608 2.257 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CSc3nnnn3CC(F)(F)F)cc2F)C[C@@H](C)O1 750958658 NITVHBBEMVOMMQ-VXGBXAGGSA-N 462.473 2.397 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc(S(=O)(=O)NC4CC4)c3)n2)o1 844255626 HRDKIVHZLNKISM-UHFFFAOYSA-N 496.592 2.281 10 20 JECD CCC1(CC)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1=O 917970704 PBXUCKYPOYEOEA-AWEZNQCLSA-N 491.500 2.443 10 20 JECD COc1ccc(OC(F)F)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 918462477 AUSDDESKKKKMLK-OAHLLOKOSA-N 476.480 2.253 10 20 JECD O=C(COC(=O)c1cccn(Cc2ccccc2)c1=O)NCc1ccc(N2CCOCC2)c(F)c1 920734834 QBPULXVGFDEPPU-UHFFFAOYSA-N 479.508 2.346 10 20 JECD C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 920869671 VHKOFBPHRPXJDN-LEWJYISDSA-N 457.619 2.312 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3[C@H]1O)CCO2 1782004526 ZDPGYUCMCRZENV-JYMRHQFYSA-N 486.952 2.491 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)C(F)(F)c3ccco3)C2)C1 1782728541 YQRCITZDBTYRII-KOXUSJRISA-N 464.421 2.032 10 20 JECD O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1782982578 UAKWZDZRAHMGMN-NRFANRHFSA-N 465.428 2.198 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783548196 ZXDDZGXFORBEDL-CSKMKTBNSA-N 497.935 2.105 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccc(Cl)cn1)CCO2 1785507352 OAPKIPXVBZVFFK-KSBKHAFUSA-N 459.886 2.009 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H]1C[C@@H]3CC[C@H]1C3)CCO2 1785510584 RGGWQLDTBZOBAA-FABGBRBGSA-N 456.539 2.473 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncn1-c1ccncc1 1794797466 SOQFIDNSJPJANS-XBMZCVMLSA-N 475.505 2.349 10 20 JECD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc1C 1796480522 GKSICBQJRCCYDD-IRJINJETSA-N 460.534 2.300 10 20 JECD CC(C)OC(=O)c1ncccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796598931 MFYORXAFIWXBND-MUJYYYPQSA-N 454.483 2.019 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc(F)c(F)cc1F 1799512575 LQUGGOZWOARRRD-HSAQVAQVSA-N 486.450 2.100 10 20 JECD Cc1nnc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)s1 1804283946 QDNCLFGULGUWPN-OVYMSRNUSA-N 458.540 2.248 10 20 JECD O=C(COc1cccnc1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1804340733 GJXTUAZUCMRAFJ-YGFSBTMISA-N 490.516 2.392 10 20 JECD Cc1cccc(CC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1806568809 WJODSUHRQNBBBD-XXBNENTESA-N 482.631 2.499 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)COc2ccc(F)cc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807990224 GUZWSWCYAVNSKB-QMHKHESXSA-N 466.469 2.426 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)on1 1808467965 LLNAWPQDLGRWOX-JPYJTQIMSA-N 472.505 2.491 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1ccncc1O 1810663165 XKRMHLLCKVYJHG-KOSHJBKYSA-N 484.516 2.295 10 20 JECD CCOC(=O)c1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccn1 1811525645 UKXVTKHOONPXKM-VGOFRKELSA-N 491.504 2.093 10 20 JECD CC(=O)N(C)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811797042 ANOSMRVYOUNMHS-HRAATJIYSA-N 474.945 2.334 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)n1ccnn1 1811809467 KSKRSQNDYTVCKU-FRIZHTMISA-N 470.917 2.319 10 20 JECD CO[C@@H](C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccc1 1814186810 XMKSABOBBLLRBL-STZQEDGTSA-N 498.630 2.335 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccn1 1814191007 FSWVQTYEQAEFQV-LUQKVYGDSA-N 483.619 2.146 10 20 JECD O=C(Cn1cnc2ccccc21)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822296457 ABCDLEPYTLUHNA-KRWDZBQOSA-N 497.606 2.312 10 20 JECD O=C(CSc1nc[nH]n1)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1822711079 AXNGIEZUJJCFIH-KRWDZBQOSA-N 493.553 2.105 10 20 JECD Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)o1 1823500262 YVBOXYFPASZBIK-CYBMUJFWSA-N 462.557 2.181 10 20 JECD CN1N=C(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CCC1=O 1824924175 CGLGUCLELAGHII-QFIPXVFZSA-N 492.580 2.007 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3ncnn3c1)CC2 1828199230 RTOSYWPSRKHASI-VSZOKUSCSA-N 492.517 2.242 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3C=CS[C@H]32)CC1 1831159800 KEOJDNNILLMSKH-WTLGNFPFSA-N 465.666 2.342 10 20 JECD Cc1c[nH]c(C)c1CCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833354521 UAWIZFIPSVZGTH-UHFFFAOYSA-N 469.586 2.256 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc(C(F)(F)F)[nH]3)CC2)CC1)c1cc(O)nc(O)c1 1834988859 MWTIABCRVPAKEN-UHFFFAOYSA-N 481.475 2.339 10 20 JECD Cc1ccc(O)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1838893796 QMOIVWHHQMDAFF-HSZRJFAPSA-N 476.913 2.149 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4)C3)C2)cc1 1839348820 OIZGRJLVULHPNK-AREMUKBSSA-N 475.549 2.268 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCC4)C2)C1 1839434110 NVWMUWZUOAXAJC-DEOSSOPVSA-N 488.924 2.070 10 20 JECD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1)c1cccs1 1840375117 NSHLOXFGVBGGQP-AVRWGWEMSA-N 496.589 2.101 10 20 JECD CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)C[C@@H]2C[C@@H]21 1841360912 GGMMILXJOPNUAG-WLHKCWHESA-N 499.564 2.418 10 20 JECD CCc1[nH]nc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1Cl 1843441936 JDNWCVQIFPWLPV-UHFFFAOYSA-N 454.918 2.235 10 20 JECD COc1cc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc(Cl)n1 1844563554 FITUOYVFZMFPNW-UHFFFAOYSA-N 467.913 2.354 10 20 JECD O=C(COC(=O)CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 36189102 SVOFUHHDAFIZHL-UHFFFAOYSA-N 486.436 2.102 10 20 JECD COc1ccc(N2CCC(NC(=O)CN3C(=O)N[C@](C)(c4ccc(OC)cc4)C3=O)CC2)cc1 110356091 YXUZAERZGKPQBI-RUZDIDTESA-N 466.538 2.256 10 20 JECD COC(=O)N1CCC[C@@H](NC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C1 726624916 KBYKVEONGZCMAP-CQSZACIVSA-N 478.483 2.062 10 20 JECD COc1ccc(N2CCC(NC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cc1 726715021 GCFRCQIJWAPMCS-UHFFFAOYSA-N 458.584 2.380 10 20 JECD O=C(COC(=O)CCc1nc(-c2ncccn2)no1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 727904874 KSMZNKXEPIDYGR-UHFFFAOYSA-N 483.440 2.417 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N[C@H](C)c3ccc4c(c3)CC(=O)N4C)CC2)cc1 728308253 QQAHRBSEEJKERV-GOSISDBHSA-N 451.571 2.397 10 20 JECD COC(=O)[C@@H]1CN(C(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CCO1 728540168 VHTCDVWLARSUAE-IAOKNECISA-N 485.381 2.051 10 20 JECD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1 728839637 UHKYHOAHJCRKSB-UHFFFAOYSA-N 488.532 2.317 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCN(CCN(C)Cc4ccccc4)CC3)CC2)cc1 729266115 WOQSWXYCJUVMHO-UHFFFAOYSA-N 465.642 2.093 10 20 JECD O=C(COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc(N2CCOCC2)c(F)c1 744615124 RKFYONGESMPUMB-UHFFFAOYSA-N 470.457 2.385 10 20 JECD COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(NC(C)C)c([N+](=O)[O-])c3)CC2)cc1 916237013 PKBZHOKAHCCYMK-UHFFFAOYSA-N 491.570 2.051 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@@H]1CN(Cc2ccccc2)CCO1 918179049 OEJAUENOCZRMAH-JOCHJYFZSA-N 456.562 2.487 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cccc(CN2CCCC2=O)c1 918284560 JKLVLDGGGORFBU-UHFFFAOYSA-N 454.502 2.040 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(-n4cccn4)nc3)cc2F)C[C@@H](C)O1 919052869 OMUBPKPQPWIEHO-CALCHBBNSA-N 467.501 2.493 10 20 JECD CS(=O)(=O)Nc1cccc2c1CCN(C(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)C2 919654389 KFSMJWBLKKFNQB-UHFFFAOYSA-N 476.574 2.426 10 20 JECD C[C@H](C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 919855164 HPPRNCSSOOCENP-MISYRCLQSA-N 494.571 2.122 10 20 JECD C[C@@H](O)[C@H](NC(=O)c1cc(Cl)ccc1F)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 920262944 IKPYJQOHOGDISY-SZNDQCEHSA-N 479.936 2.226 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3sccc3[nH]1)C2)c1cc(O)nc(O)c1 1777848287 PCAPLZGSDKYJKO-VGOFRKELSA-N 456.524 2.477 10 20 JECD COc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)n1 1778126126 HUZSPUMPPMTINS-QFQXNSOFSA-N 491.548 2.011 10 20 JECD COCCn1nccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781122739 ITIILIMPKAEHDR-AUSIDOKSSA-N 492.960 2.035 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 1783806334 DYUXMSIGJAJDLM-XXAUWVGASA-N 472.545 2.413 10 20 JECD Cc1ccc(OCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cc1 1792218893 WDJRJENOMMQDFW-CUDYJJFBSA-N 482.533 2.184 10 20 JECD O=C(c1cc(O)nc(O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2cccc(Cl)c2)CC1 1797114263 IEPMGBDCDPYRSM-YVWYUNDQSA-N 457.914 2.081 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(O)[nH]1 1798864355 FELOMQSVRZTJAC-FCGDIQPGSA-N 498.584 2.085 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc3O1)C2)c1cc(O)c(O)c(Cl)c1 1799770034 BOYGDFNRWFTUDF-VAKZPMALSA-N 472.925 2.348 10 20 JECD O=C(c1cc(O)nc(O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1 1800945186 UPJMAUXWTGRFBM-YVWYUNDQSA-N 491.466 2.447 10 20 JECD Cc1cc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1F 1802082573 UCCDVLGRFQHTPW-PWRVDJJQSA-N 474.460 2.307 10 20 JECD Cc1cccc(/C=C/C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)n1 1802460369 RQDRKHHHYIFBKN-PWISXXLXSA-N 495.630 2.365 10 20 JECD CCc1ccnc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1807889712 KFODCWBATHKRPY-DYESRHJHSA-N 483.619 2.219 10 20 JECD COc1ccccc1OCC(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810549515 SWORXFURGNFHOB-UHFFFAOYSA-N 455.511 2.425 10 20 JECD O=C(O)c1cnncc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1810806121 OICDVVRXXMFNPD-ORAYPTAESA-N 497.895 2.268 10 20 JECD C[C@H](Cn1ccnc1)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813411660 MEZXECZANBOFJU-DZRGJMJISA-N 499.575 2.413 10 20 JECD CCc1ncsc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814190294 WDCSHUWOGASHJC-RDTXWAMCSA-N 489.648 2.280 10 20 JECD Cc1nnc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)o1 1827715652 NWFRMAOBBWKHFM-OAQYLSRUSA-N 478.553 2.333 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)c2ccnnc2O)CC1 1829537074 SYIWXCNJWJRPMO-OAQYLSRUSA-N 476.537 2.208 10 20 JECD O=C(c1ccns1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896928 UNRNUIIEPRLXCS-CQSZACIVSA-N 452.627 2.237 10 20 JECD Cc1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902730 RWXBTDMSQNZTRT-GOSISDBHSA-N 460.625 2.484 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3n[nH]c4ccc(F)cc34)CC2)CC1)c1cc(O)nc(O)c1 1834987593 PBIIHSWYMIKSIF-UHFFFAOYSA-N 482.516 2.007 10 20 JECD Cc1cscc1C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1835175741 FOIIXKVCDBYJMI-UHFFFAOYSA-N 480.681 2.102 10 20 JECD Cc1ncoc1C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1837528522 GZKHZSCRHBTUSW-HWKANZROSA-N 471.510 2.425 10 20 JECD CC(C)(C)CC(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1837644148 WNRIITHNEWNBIB-UHFFFAOYSA-N 455.646 2.282 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cnn4cccc(F)c34)CC2)CC1 1838031781 MHHIKZXTJNBNFW-UHFFFAOYSA-N 483.500 2.206 10 20 JECD Cc1nc[nH]c1C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838110398 FXJUKFDXNCMEBR-UHFFFAOYSA-N 478.553 2.123 10 20 JECD O=C(c1cc(F)cc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433952 ZBPWPQNLFQEDQB-JOCHJYFZSA-N 482.867 2.413 10 20 JECD COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)CC1 1839898177 LCCFWIHWGLKYBZ-AREMUKBSSA-N 495.576 2.117 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)C1CCOCC1)C2 1843331271 DOMCEHLXGUAJCG-OAQYLSRUSA-N 486.613 2.335 10 20 JECD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2)CC1 744908650 YVIHCVXGJAFGMU-FQEVSTJZSA-N 493.608 2.117 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2C)cc1 845929429 UPJKQLZOWFOGFJ-BYIOMEFUSA-N 490.512 2.414 10 20 JECD O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 918094405 WUVLMXVGMPSBJY-UHFFFAOYSA-N 499.587 2.323 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@@H]1c2ccccc2C[C@@H]1O 919785250 WHCQIUIJPZGSOB-XZOQPEGZSA-N 462.529 2.400 10 20 JECD Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1C 919971220 LWPNQMYIHKKFJD-UHFFFAOYSA-N 463.575 2.341 10 20 JECD CCNC(=O)CN1CCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 920455997 LUDKVKRMTCGJRG-VKAVYKQESA-N 480.681 2.400 10 20 JECD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 920925040 GXWKTJHAXGELHD-GOSISDBHSA-N 488.610 2.418 10 20 JECD CCOC(=O)c1c(N/C=C2\C(=O)NC(=S)N(CC(C)C)C2=O)sc2c1CCN(CC)C2 920978512 GRRZCVHFBZFRJC-NTEUORMPSA-N 464.613 2.498 10 20 JECD COc1cccc(CC(=O)N2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)c1 921123087 OVBSXQJSRJGLPF-UHFFFAOYSA-N 484.572 2.392 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)CCCC3=O)C2)c1cc(O)nc(O)c1 1777848145 LAKMTMZXCBMTBC-QFQXNSOFSA-N 479.533 2.453 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 1778196605 VFEQMRPRBORZIU-HYFFOGBASA-N 494.038 2.134 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)C1 1783865849 SEKJGDXFPRSAEB-AQKDONEWSA-N 480.945 2.174 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3ccc(=O)oc3)cc2)CCC1 1787589302 OKIVGNGLRMKCFZ-UHFFFAOYSA-N 457.533 2.248 10 20 JECD O=C(CCCCn1cccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1788715549 VGYQTICBODDPKC-ZNTKURTCSA-N 483.565 2.468 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCCC4=O)C[C@@H]32)cc1 1790126270 LLFKLZQCYUYFPZ-XWGVYQGASA-N 478.593 2.310 10 20 JECD O=C(Cc1ccc(F)cc1Cl)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1793744930 UXPILYUPAXNSQM-OQQDEAHASA-N 490.915 2.441 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](CNC(=O)CNC(=N)N)[C@@H]2c2cccnc2)cc1 1807060260 XELGILVOJPAEII-URXFXBBRSA-N 473.581 2.292 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cncc2cnccc12 1811301503 XMWAUIKZUGWLCM-MWTRTKDXSA-N 470.489 2.464 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811797767 WDESUOVISVDTCA-IAMHBRQHSA-N 474.945 2.381 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803114 FNFUWWPUTMWQMK-VFNWGFHPSA-N 472.929 2.088 10 20 JECD O=C(Cc1ccc2c(c1)CCO2)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1812823762 FPDLKSNDINSNRA-CLOONOSVSA-N 474.517 2.385 10 20 JECD CCn1nccc1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162056 FNDVWMSWSTVPKH-AEVOMHCASA-N 477.521 2.448 10 20 JECD Cc1nn(C)c(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)c1F 1814162318 IJWWIYROURVDCG-VACSHPSYSA-N 495.511 2.412 10 20 JECD CC(=O)NCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162530 TWDXEQCLAUESJA-ZFTWXYHOSA-N 496.564 2.080 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2c[nH]c3ncccc23)[C@@H]1c1cccnc1 1814188884 DAJLSEXUEDTNTP-FOIQADDNSA-N 494.602 2.138 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cccc3c[nH]nc23)[C@@H]1c1cccnc1 1814189639 UYRMFVPRXHQAFB-IIBYNOLFSA-N 494.602 2.138 10 20 JECD CC(=O)O[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2)C(C)C 1819480128 FTDUHWLQLKXIBU-QVKFZJNVSA-N 497.577 2.436 10 20 JECD CC(C)n1nccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1819817609 QOUDNUYNCMQEOH-AWEZNQCLSA-N 475.600 2.353 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cnn4cccc(F)c34)sc2C1)c1cc(O)nc(O)c1 1824370533 NIIXJKZCOLOFPS-LLVKDONJSA-N 468.470 2.276 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3Cc4ccccc4N3)sc2C1)c1cc(O)nc(O)c1 1824780352 BHOHUCUCARMFRS-BBRMVZONSA-N 451.508 2.212 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C34CC(C3)C4)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835133909 KVMMAWTUEJSZOP-UHFFFAOYSA-N 463.582 2.151 10 20 JECD N[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1ccccn1 1837875096 JZUZQSYAVLDGHE-NRFANRHFSA-N 488.972 2.458 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCCO2)C1 1843106116 JAGVMUQNCJACMD-WOJBJXKFSA-N 472.586 2.087 10 20 JECD CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CC1 1843248995 ZPTYUHCHHPPNLY-UHFFFAOYSA-N 478.521 2.049 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCc3cccc(OC)c3O)CC2=O)cc1 727761240 PHATVLUWHCHAIF-KRWDZBQOSA-N 475.567 2.101 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C(=O)NC(C)C)c(C)c3)CC2)cc1 731285685 KKBBKLYPUWCWKU-UHFFFAOYSA-N 481.597 2.019 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)CC2)cc1 742927600 VUFQNJVEYJIPAJ-UHFFFAOYSA-N 492.536 2.010 10 20 JECD CCN1CCN(C(=O)c2ccc(NC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2)CC1 744796371 JLBRJKRAOYNIJI-QFIPXVFZSA-N 492.624 2.488 10 20 JECD CCOC(=O)[C@H]1CSCCN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 844144744 WFRZNYXGERTQDX-MRXNPFEDSA-N 454.460 2.491 10 20 JECD CCc1nc(SCC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)n[nH]1 899451290 LKWILPWERDKIKB-RIYZIHGNSA-N 477.593 2.206 10 20 JECD O=C(NCCCN1CCN(c2ncccn2)CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916267648 RRCNYDYXDUWQDK-NRFANRHFSA-N 454.575 2.085 10 20 JECD COc1cc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)cc(C(=O)O)c1OC 917911225 CWAOBJGAWDQYSL-UHFFFAOYSA-N 452.554 2.434 10 20 JECD COc1cccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)c1 918116882 BUQRLFAKXBMACM-NRFANRHFSA-N 479.581 2.065 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCCNS(=O)(=O)Cc3ccccc3)cc2F)C[C@H](C)O1 918211812 FJWCIZOIAQNEDS-ROUUACIJSA-N 478.590 2.358 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(S(=O)(=O)NC2CCCC2)c1 918340522 QSICXYNUURMSNX-UHFFFAOYSA-N 491.635 2.072 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3nc(-c4ccccc4)oc3=O)cc2F)C[C@H](C)O1 918890470 XCTYTZDWYNNIPM-IRXDYDNUSA-N 498.511 2.116 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccccc3CN3CCOCC3)CC2)cc1 919662928 VIFCTBTXBFKDEO-UHFFFAOYSA-N 452.555 2.205 10 20 JECD CCCN(CCC)S(=O)(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919729511 IBNVVZVXGUXMRQ-UHFFFAOYSA-N 450.584 2.399 10 20 JECD CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cn1 919799938 LZTFYXNTWYBZJQ-UHFFFAOYSA-N 493.543 2.379 10 20 JECD Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)cc1F 919815624 QFNKPANTWIJFGW-UHFFFAOYSA-N 463.531 2.380 10 20 JECD Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c1C(=O)N1CCCC1 920195235 NHRUOVUFKHWTIQ-UHFFFAOYSA-N 450.539 2.323 10 20 JECD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)OC)cc1 920482541 RWRZSNQPZKRFRP-UHFFFAOYSA-N 470.525 2.212 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1c[nH]c2nccc-2c1Cl 1777916887 KUNHJDLBDLEHDE-WAIKUNEKSA-N 485.928 2.415 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3cc4sccc4[nH]3)C2)C1 1778699514 ALWGPNXBONERKJ-DEOSSOPVSA-N 477.546 2.466 10 20 JECD C[C@H]1C[C@@]1(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1780621587 KQBSXVOETJTEGC-XMECYREJSA-N 452.555 2.339 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)N4CCN(C)CC4)C3)C2)cc1 1781097833 ZFCDLRUECLHEGA-FIPFOOKPSA-N 493.652 2.174 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc(-c2ccccc2)no1 1788917169 ITWGMPGUTVMZNU-KNBMTAEXSA-N 464.478 2.055 10 20 JECD O=C(Cc1c(F)cccc1Cl)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1792752557 IYLGEXBPGPKOAT-ZMGRENDRSA-N 490.915 2.441 10 20 JECD COc1ccc([C@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1 1792937005 CNVUPZPFHHEYQL-LLLHUVSDSA-N 461.609 2.297 10 20 JECD O=C(CCCC(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1793733470 TUNXEHWIJXYTAV-YVWYUNDQSA-N 466.460 2.102 10 20 JECD CC(=O)c1cc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n[nH]1 1805256800 VGJAZZAGQSSWNE-KOSHJBKYSA-N 499.531 2.120 10 20 JECD COc1cncc(CCC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)c1 1807009325 OZUDYUOFCNJVRP-UHFFFAOYSA-N 490.651 2.114 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCc2cc(F)ccn2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994729 YHPISKHCLIOYMT-MWTRTKDXSA-N 465.485 2.374 10 20 JECD CC(=O)Nc1ccccc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807999449 CIEUBXHSXDUTAX-HXOBKFHXSA-N 475.505 2.480 10 20 JECD CC(C)c1cc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)n[nH]1 1811510602 RMYHJCRDACKMMA-YWZLYKJASA-N 486.623 2.108 10 20 JECD O=C1CCc2ccc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)cc2N1 1812265920 FBXMGBPSEVLQGG-HOYKHHGWSA-N 487.516 2.406 10 20 JECD O=C(/C=C/c1cnc[nH]1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813302307 YUEKEDLSSBRBBH-STPCRMMRSA-N 475.505 2.354 10 20 JECD Cc1cc(C)n(CCC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n1 1813305501 QDDNYCINZHSCAO-MBSDFSHPSA-N 464.526 2.111 10 20 JECD Cc1nnc(CC(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)s1 1814164012 OZUSNLWPEWDSFP-VVVOIBFMSA-N 495.561 2.320 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnoc1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817362896 YFBPPQMRRJVIDO-ZDUSSCGKSA-N 450.480 2.150 10 20 JECD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848564 QICKXHOVHCPZIV-UXLLHSPISA-N 469.498 2.277 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@H]1CC(c2ccccc2)=NN1 1821617239 VAHSJICDFITMRL-RTBURBONSA-N 475.509 2.288 10 20 JECD O=C(Cn1ccccc1=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708667 LZRPQGJZJGXWKW-LBPRGKRZSA-N 474.926 2.295 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1824397394 IGOFHSIXDJQBOQ-XMSQKQJNSA-N 481.597 2.314 10 20 JECD Cc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)cn1 1828194987 GBULHULUALZYHF-RRFAQUSLSA-N 467.507 2.298 10 20 JECD Cc1ccncc1CCC(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828239686 BYNAMXFAVATCPA-AWEZNQCLSA-N 489.648 2.252 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c3nccc-3c1)CC2 1828242609 ONMYWSZCIXNKGZ-GFCCVEGCSA-N 486.604 2.057 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1831132034 VQCXKVVUXJYSLP-HKUYNNGSSA-N 482.716 2.444 10 20 JECD O=C(c1cc2ccccn2n1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901443 DRGWHHDMXPSBLR-IBGZPJMESA-N 485.635 2.428 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccno2)CCO3)cc1 1834152830 CRMCULDAVPXDAS-VWLOTQADSA-N 464.522 2.466 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)CCO2 1840122066 MQHFHYFXUSBJHB-MRYHLGDPSA-N 494.544 2.077 10 20 JECD CC1(C)CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)C1 1840225826 RAAJNVXGPYNNAJ-JOCHJYFZSA-N 452.935 2.257 10 20 JECD CC(C)(C)NCC(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331397 SRUSYIYTNZVIDR-HXUWFJFHSA-N 487.645 2.296 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]21C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1846193302 SDAWQSBZWJVGHO-FSOUAWJTSA-N 499.564 2.420 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)n2)s1 727245981 DXLBKYDRXIUGDV-UHFFFAOYSA-N 477.593 2.499 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C3(C(=O)NC4CC4)CCC3)cc2F)C[C@@H](C)O1 729737188 OYGXDYOIRGUPQA-IYBDPMFKSA-N 461.534 2.048 10 20 JECD O=C(Nc1ccc(C(=O)NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1)C1=S=CC=C1 746458101 RQIZUJUFIAGIND-UHFFFAOYSA-N 452.517 2.207 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3CS(C)(=O)=O)cc2F)C[C@H](C)O1 746989444 IGZQQEBLFQKLMK-HOTGVXAUSA-N 477.558 2.239 10 20 JECD Cc1cc(CN(C)CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)no1 915218268 WBIASASLSBSPNV-NVMNQCDNSA-N 474.564 2.161 10 20 JECD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(N4CCSCC4)cc3)C2=O)cc1 917387260 ZVNNXYMHDQAKLS-DEOSSOPVSA-N 468.579 2.332 10 20 JECD COc1cc2ncn(CCCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c(=O)c2cc1OC 917709634 TUAMXFKSHDYYFW-UHFFFAOYSA-N 484.528 2.486 10 20 JECD CN(C)C(=O)COc1cccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 918220962 NRKQYPAJJWYPNJ-UHFFFAOYSA-N 458.534 2.253 10 20 JECD COCCNC(=O)C1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 918221078 NNEYUVNQDFNVCT-IRXDYDNUSA-N 450.555 2.124 10 20 JECD COC(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 918287068 NRWHNEBPRSCALG-HZPDHXFCSA-N 473.501 2.246 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c(Cl)ccc3c1OCO3)C2)c1cc(O)nc(O)c1 1777847799 AAHIJKMYCUAALR-WAIKUNEKSA-N 489.912 2.316 10 20 JECD Cn1ncc2c(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)cccc21 1782005714 XCZLYZNDXCFWPP-HSZRJFAPSA-N 470.913 2.395 10 20 JECD Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)n1 1783220278 WFHHXPNXQDWXLQ-DPTRUDLKSA-N 467.522 2.348 10 20 JECD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N1CC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1783247584 JZIMYVNAHZPVAB-WWMMDOJLSA-N 464.566 2.436 10 20 JECD CC(C)Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)n(C)n1 1787212582 KADWJWLTWODGJH-FGIMBEIOSA-N 498.580 2.042 10 20 JECD Cc1ccc2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)sc2c1 1787291813 OOCGUCDVDWLDRJ-QRTARXTBSA-N 468.535 2.318 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)c3ccccc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537363 QKHYMJOONGKWHD-NHTRMHBPSA-N 478.524 2.470 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3cc4cccnn4n3)CCC2)cc1 1792314863 AEEJBOYSLCYMNM-UHFFFAOYSA-N 480.575 2.337 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@H]1CCCCC1(F)F 1793489124 DXLJIDCQJIGSEF-DMSOZEQRSA-N 466.481 2.232 10 20 JECD Cc1cncc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1 1794074429 VZWWXHPJNKGBAC-UPHUGPLXSA-N 459.930 2.291 10 20 JECD O=C(Cc1cnc2ccccn12)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796931255 ZPFCGMQOIAWIDB-FNLKRUPLSA-N 470.533 2.308 10 20 JECD NC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccccc1 1796931922 SKZNVSBPMTZXFK-FKVLARQCSA-N 459.550 2.160 10 20 JECD COc1ccc(-c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(O)nc(O)c3)C4)n[nH]2)cc1 1796951050 XQJSGOZNGMLVIZ-BJWYYQGGSA-N 463.494 2.457 10 20 JECD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1)[S@@](=O)c1ccccc1 1799768380 VNXPZYPKBZXEDE-RJCXLFCHSA-N 492.981 2.151 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1c(F)cccc1F)C2)c1cc(O)c(O)c(Cl)c1 1799769010 JAAHPSHIMVOPPB-NXCRSVRDSA-N 466.868 2.475 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1c[nH]c2ccccc12 1799904445 JCOCXDKDHCSLCD-MUJYYYPQSA-N 456.593 2.209 10 20 JECD CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1803162083 MFQKCYIKMMWZBE-QUURXOELSA-N 488.592 2.365 10 20 JECD CC(=O)N(C)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1804072959 NSPCKLDCVVGSDU-IERDGZPVSA-N 474.945 2.334 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n(C)n1 1805647333 ZBIBEVZKECQTLZ-VSEMJTJDSA-N 477.521 2.273 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccnc(Cl)c1 1805667986 GOBNXVKACBRVLP-BEFAXECRSA-N 490.010 2.310 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccon2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468791 YARATYQHWMEYHX-VGOFRKELSA-N 458.478 2.182 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)COc3ccc(F)cc3)C2)CC1 1809190605 OGTHPAUEJKXZAR-UHFFFAOYSA-N 479.599 2.296 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cnccn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811797800 WLPJGFUOKLBHAH-YCRPNKLZSA-N 467.913 2.499 10 20 JECD CC[S@](=O)CCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814164106 QYDHOYACYSLFRJ-CNDPYNIESA-N 487.578 2.076 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1ccnnc1 1816388430 ZKNULMZFGAEYDA-BIENSFFJSA-N 450.455 2.336 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)C1 1816725925 SDZNRZCBQXZMMG-CYBMUJFWSA-N 489.554 2.042 10 20 JECD CN(C)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1 1822084827 ALFYALVJIABTDF-ZDUSSCGKSA-N 489.648 2.295 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3n[nH]cc3c2)[nH]n1 1823499029 ZKVGEZJMCPSBOK-INIZCTEOSA-N 483.579 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCCC3)[nH]n1 1823499915 FMVXQTZSFICGDD-MRXNPFEDSA-N 487.611 2.109 10 20 JECD Cc1ccn(C)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823500001 JKJNDUUIXRALCA-CQSZACIVSA-N 460.585 2.223 10 20 JECD Cc1cc(C)n(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)n1 1823501504 RUDCHXZSEQNJJX-INIZCTEOSA-N 489.627 2.166 10 20 JECD O=C(CCc1ncc[nH]1)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1826514409 KTUCEAXZYWKFGI-CQSZACIVSA-N 477.550 2.204 10 20 JECD CC[C@@H](NC(N)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1827568213 PEPGSUBSHIXDGL-IAGOWNOFSA-N 466.966 2.431 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cccnc3Cl)CC2)CC1)c1cc(O)nc(O)c1 1834985859 ZKHCQPLKDRTFSZ-UHFFFAOYSA-N 459.934 2.040 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)CCO2 1836597622 KDKXWOUDMBFULB-IECBHUPTSA-N 487.940 2.020 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838104556 RRKXDPPWPHPZIW-CQSZACIVSA-N 481.977 2.230 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN(C)C)C3)C2)cc1 1839348651 ZZUCVOKWHSPGIC-SANMLTNESA-N 468.598 2.116 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cnn(C)c4)CCO3)C2)cc1 1840465983 GBOBDTSBTBDRAK-HHHXNRCGSA-N 491.592 2.140 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C1 1845740286 QJMGBIRNDVEOEP-UHFFFAOYSA-N 499.321 2.228 10 20 JECD COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 18195357 CAORWBSOMXHICZ-QGZVFWFLSA-N 482.445 2.231 10 20 JECD O=C(NCCN1C(=O)Cc2ccccc21)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 725902297 DRJHXUARWLHYII-UHFFFAOYSA-N 496.501 2.420 10 20 JECD CCOc1c(Cl)cc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)cc1OC 727177634 MMVVQCODIZFSPV-LCYFTJDESA-N 450.991 2.498 10 20 JECD COc1cc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc(Cl)c1OCC(N)=O 917394392 OHNSOXIHLHFDBH-KRWDZBQOSA-N 460.962 2.204 10 20 JECD C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1)n1cncn1 918297264 ONHQGQDUYXMALD-UWJYYQICSA-N 492.536 2.330 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1cccc(CN2CCCC2=O)c1 918442771 NXBSSADQGIUMQG-UHFFFAOYSA-N 464.566 2.273 10 20 JECD O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918616098 SHUQUHYDUYCVCB-UHFFFAOYSA-N 483.468 2.003 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc4nc(O)[nH]c4c3)cc2F)C[C@@H](C)O1 919087196 KYXVKOKCTFEMGL-ZIAGYGMSSA-N 456.474 2.494 10 20 JECD Cn1nc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c2ccccc2c1=O 919699695 XEVFQTZUXDNEBX-UHFFFAOYSA-N 473.512 2.119 10 20 JECD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 920924413 ADQZAZZZRTZBPY-IAGOWNOFSA-N 454.527 2.313 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cccc(N4CCNC4=O)c3)cc2F)C[C@H](C)O1 1317938464 CNGJXVAHQJGEPG-IRXDYDNUSA-N 484.528 2.442 10 20 JECD Cc1nc2cccc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)nc(O)c5)CCO4)C3)c2s1 1777701592 LQUDAFZVAOEKHL-JOCHJYFZSA-N 454.508 2.168 10 20 JECD O=C(CCN1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782000919 FLFFSOQYGCEOMR-JOCHJYFZSA-N 451.951 2.071 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4CC(O)C4)[C@H]3C2)cc1 1783999059 GBMZMXJRZCSYMZ-YXMIKYPGSA-N 451.567 2.458 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cccc(C(F)(F)F)n1)CCO2 1785507018 IKPDTONTBCUNCI-HVPBSWBLSA-N 493.438 2.374 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]3C2)cc1 1791286925 KESYMEOBGZHIOL-XGKIYDHQSA-N 497.592 2.303 10 20 JECD O=C(CCCn1ccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1791566155 HQBLECALRVEDKO-QOKNQOGYSA-N 462.934 2.021 10 20 JECD CC(=O)Nc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1 1792009301 ACYHTUBPDNFTRF-NLAISDGXSA-N 495.532 2.069 10 20 JECD CC(C)[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1793229023 HHXPCXVEOAOTSF-YHINDDMVSA-N 488.629 2.360 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C13CC(C1)C3)C2 1796307577 LCSMTZDPPNUWGB-QWSAWGBRSA-N 498.624 2.094 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]1c1ccccc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796482659 LUNSAMNTDPQSRB-WUTYHBSBSA-N 472.545 2.173 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)[C@@H]1C[C@H]1c1ccc(F)cc1 1804334818 WGHOKWWPRVTHTM-FLXSYLCISA-N 461.584 2.428 10 20 JECD COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1806586025 USUGPYUIWIFWPJ-HOYKHHGWSA-N 462.506 2.459 10 20 JECD CC(C)N(C)CC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808469375 LWWHKZYQOZCXBI-NLFFAJNJSA-N 476.581 2.221 10 20 JECD Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808470445 WQQJBKREDKUESR-RXFWQSSRSA-N 499.575 2.463 10 20 JECD CC(=O)CCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162007 FALIINBRVRRWOC-AEVOMHCASA-N 453.495 2.287 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cncnc2)[C@H]1c1cccnc1 1814162645 OUVZTNMJWRZRRS-VYHZTRRPSA-N 461.478 2.021 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](O)CC2)[C@H]1c1cccnc1 1814167224 ZBIQBEUMHSKWDO-BSTNJKIBSA-N 481.549 2.469 10 20 JECD COc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)n(C)n1 1818145774 JIGUHELBFANLGY-SFHVURJKSA-N 490.524 2.251 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cnc2ccccn12 1818615330 JVXVYARDJJWSOX-CQSZACIVSA-N 483.579 2.224 10 20 JECD Cn1cc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CN4C(=O)CSC4=S)[nH]n3)ccc2n1 1821412786 WXYUUHHSNLBRRD-KRWDZBQOSA-N 497.606 2.463 10 20 JECD CC(C)c1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)co1 1828240575 XEOSEKPNIXRLDT-SNVBAGLBSA-N 479.609 2.341 10 20 JECD CCCCC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881332 PLPXWLKIOUQAAV-DEMXCCBQSA-N 476.570 2.489 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@H]2CCCS2(=O)=O)C3)cc1 1845399361 UBJNFFLATPSDMR-OAQYLSRUSA-N 455.580 2.488 10 20 JECD COC(=O)CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S 40938557 XQVLOVMXJUZRIN-QGOAFFKASA-N 494.591 2.087 10 20 JECD CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 727601700 UPQRCZMTBKDCOH-HNNXBMFYSA-N 450.536 2.131 10 20 JECD CCN1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(OCc4noc(C)n4)cc3)cc2F)CC1 731130844 ZROQOBZPNJTUSS-UHFFFAOYSA-N 496.543 2.493 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3ccccc3CN3C(=O)CCC3=O)CC2)cc1 743315563 XIKCGTYZIKBORU-UHFFFAOYSA-N 465.554 2.288 10 20 JECD CN(C)C(=O)N1CCC(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 915443458 PINYHAYRNFSOKM-UHFFFAOYSA-N 463.490 2.337 10 20 JECD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 917361599 VMXYIUBHDZVRIE-UHFFFAOYSA-N 457.508 2.451 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 918340520 QPJAFVBCQHZDOA-OAQYLSRUSA-N 467.591 2.079 10 20 JECD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918465177 ICICGYXOUIGEQY-FQEVSTJZSA-N 491.592 2.188 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CCNC(=O)c3cccs3)cc2F)C[C@@H](C)O1 918888947 FVTFWJZVRGPNPE-HZPDHXFCSA-N 477.558 2.480 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(CN2CCOC2=O)cc1 919664436 DHUVBKBFXXQQCF-UHFFFAOYSA-N 466.538 2.102 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008555 DXUZCAXRNMOAOM-WNSKOXEYSA-N 459.930 2.469 10 20 JECD COc1cccc(CC(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1C 1783640404 HQWPTYLIUNUCIB-QGVYAHRCSA-N 482.533 2.206 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC3CCCC3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787538987 AMHBRMCGYVAPNA-VCOUNFBDSA-N 452.555 2.339 10 20 JECD Cc1nc2ccccn2c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1787850893 OPMXOCQFSKEOSJ-AIONWGCTSA-N 492.532 2.066 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc2sccc2c1O 1790440028 MNKYZXVCZRVPGI-ZLIFDBKOSA-N 469.519 2.320 10 20 JECD COc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1 1791950961 OPMRUKCDJPRBBK-QHVXYVIKSA-N 486.496 2.258 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1793246280 MFFZPQFRSRDGAA-WWOUZDQESA-N 466.582 2.212 10 20 JECD O=C(NC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)CC1)OCc1ccccc1 1796600746 IJNRSEFKYVPLBK-REPLKXPHSA-N 480.521 2.204 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc[nH]n1)C2 1796750417 XTWVLFRXMMNUFD-RCLSDMTESA-N 482.585 2.380 10 20 JECD CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1804381764 GRZNERPWYCNLSL-YYIAUSFCSA-N 462.547 2.438 10 20 JECD Cc1nn(C)cc1C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)C1 1806292124 IVDOXQOJZGSVPT-FNORWQNLSA-N 454.527 2.404 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c2n1 1807995827 UUVHOZRRTQMFII-NPMXOYFQSA-N 488.504 2.406 10 20 JECD Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)n1 1816396827 RPMAHXUXHNTFBE-OAHLLOKOSA-N 458.569 2.279 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@H]1CCCS1 1823017284 BWQLTQOASVOKDQ-CHWSQXEVSA-N 453.615 2.158 10 20 JECD COc1nc(C)ccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823499999 JIKKDPSJCGMBNR-OAHLLOKOSA-N 488.595 2.288 10 20 JECD CCn1nccc1C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828195303 KXVSJILOZHAFCM-GBVBUYCNSA-N 469.523 2.416 10 20 JECD NC(=O)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)cc1 1832542202 SHFNJRQCLAVPFT-IBGZPJMESA-N 452.511 2.139 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3sccc3s1)CCO2 1836862032 PZWBXYNTHLCYHG-OAQYLSRUSA-N 475.548 2.153 10 20 JECD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)ccc1O 1839310264 FZCVQKLGDPJYBM-HSZRJFAPSA-N 476.913 2.149 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[nH]n4)C3)C2)cc1 1839348701 HGRTWRHPSJPWNW-VWLOTQADSA-N 463.538 2.201 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433560 XHQPIYBDFOKQEU-UPCLLVRISA-N 489.956 2.095 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)C1 1841840593 CTNUKSWZJYQRAY-LJQANCHMSA-N 450.539 2.222 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)C1 1843251129 YOQRUWGBGIMBEQ-NVXWUHKLSA-N 474.558 2.393 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 15141594 IJJVYGWZYVKVNE-UHFFFAOYSA-N 476.555 2.089 10 20 JECD CCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)ccc2c1=O 108451928 BOEYPYSGWJPGTA-GASCZTMLSA-N 454.502 2.392 10 20 JECD CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CC(=O)OC)s2)cc1 727249631 FFDUSEOBYLRRNG-UHFFFAOYSA-N 481.577 2.235 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc(S(C)(=O)=O)c3)n2)o1 906485556 JUTZXOAUNVXGAW-UHFFFAOYSA-N 455.539 2.244 10 20 JECD CSc1nnnn1-c1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 918297744 RMMVVKSPIVKDBO-GOSISDBHSA-N 468.539 2.236 10 20 JECD CCN(Cc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(C)=O 918465610 PARWVXZHSSJQFT-OAQYLSRUSA-N 479.581 2.012 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3sccc3NS(C)(=O)=O)cc2F)C[C@H](C)O1 919371850 HUWRMPPPIIHSPY-KBPBESRZSA-N 499.586 2.346 10 20 JECD CCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C)c2ccc(OC)c(OC)c2)CC1 920418806 KGFVXWHFIKMLPY-UHFFFAOYSA-N 454.571 2.485 10 20 JECD C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)Nc1ccc(N2CCCC2=O)cc1 920638299 UDBPEJLUWBVDJV-CYBMUJFWSA-N 461.496 2.075 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(=O)N(C)C)C3)cc1 1780988186 QDMYQFHGBSIIQE-ATIYNZHBSA-N 466.582 2.310 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3ccnn13)C2 1783221634 JFSGYKJTYOJVLJ-ZYHKADTASA-N 492.532 2.292 10 20 JECD O=C(/C=C/c1ccsc1)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785508718 JVPXHPFEAJEOIY-PGEXHJSESA-N 456.520 2.421 10 20 JECD Cc1cc2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)ccc2[nH]1 1787294480 TUAYVOJQIHJBQH-QSFXBCCZSA-N 450.495 2.190 10 20 JECD O=C(CSc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1795274164 WYHAVVLSGZPUSF-TYLLUKGSSA-N 470.547 2.199 10 20 JECD Cc1nc(N)sc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1796117881 IZXOQTRXXQIXQS-RBVVOMGSSA-N 452.540 2.078 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)C2)c1cc(O)nc(O)c1 1796140867 BSQWHVIPWGVPBI-VPTLXERWSA-N 495.454 2.227 10 20 JECD CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796603473 OIVCDWFJNSGPCI-FZKCQIBNSA-N 480.587 2.001 10 20 JECD O=C1Nc2c(cccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)C1=O 1798210877 HHBKEAJXOCJYLQ-CLLJXQQHSA-N 469.881 2.452 10 20 JECD CN1CCC(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)CC1 1802576100 ZVGBLLJAVRYVAG-LPUSUZEYSA-N 480.565 2.259 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1803150585 JMHBHKBJDUFRQA-LUQKVYGDSA-N 499.568 2.368 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1cnc2snnc2c1 1804288681 AIVORMQSCJWOIF-BPQKRJORSA-N 467.507 2.168 10 20 JECD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc(C)c1C(=O)O 1804335949 NMAXXAPNCOOICN-MUJYYYPQSA-N 475.592 2.114 10 20 JECD CC(C)(C)n1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cn1 1807989510 BJHQDAFRYNPYKR-IERDGZPVSA-N 464.526 2.473 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1808001283 SXPKHBJASUXIPA-ICPLQIHGSA-N 461.522 2.481 10 20 JECD CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162556 MAOLEASZJXHFGG-HKPCCUJDSA-N 468.554 2.291 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814192126 RDUQEQZIXYGIPX-TVTNDZMWSA-N 497.646 2.222 10 20 JECD O=C(CCc1ncc[nH]1)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817366681 AIDJMLMKAFQKKF-CQSZACIVSA-N 477.550 2.204 10 20 JECD NC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccccc1 1817405593 GDYFFSKTPXZCAN-RDJZCZTQSA-N 486.623 2.005 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2cncn2c1 1819322332 MPDUYVRIPCXWGD-CYBMUJFWSA-N 450.480 2.137 10 20 JECD CC(=O)O[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2)C(C)C 1819491437 FEHTWHFZEOCYJG-SFGMFPBASA-N 489.550 2.473 10 20 JECD O=C(/C=C1\C(=O)Nc2ccccc21)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1819621733 WOFHRAKRWOATSY-XTCQQWIJSA-N 477.502 2.211 10 20 JECD CCOC(=O)N1CCC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)CC1 1823382645 KZVGTHADALDVDB-QGZVFWFLSA-N 486.529 2.390 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnn3ccncc13)CC2 1828198818 KUQOFGFTKUXSPN-ZABGRMTBSA-N 492.517 2.242 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)CC[C@H]2CCOC2)CC1 1832459766 RRLKINTYXODSEH-FUHWJXTLSA-N 467.657 2.283 10 20 JECD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)n1cncn1 1832882865 TYHBEOFRALLVOA-ZEWDCPDSSA-N 469.542 2.289 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cn2ccc(Cl)cc2n1 1835427522 RWOIKFWRJLXYMN-UHFFFAOYSA-N 498.971 2.293 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)[C@H]3CCc4ccccc4[C@@H]3O)CC2)CC1 1836740288 XZNOGIPRGVKJOR-DHLKQENFSA-N 495.576 2.401 10 20 JECD O=C(C[C@@H]1COc2ccccc2O1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1836827262 XFACACABEJGVCE-HXUWFJFHSA-N 497.548 2.335 10 20 JECD CCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1839348600 YPMAIDUJUZVFHL-VWLOTQADSA-N 455.555 2.201 10 20 JECD CC(C)[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)c1ccc(F)cc1 1840095676 QPVHAZCKIOLPDC-DHLKQENFSA-N 487.528 2.142 10 20 JECD COc1cc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)ccc1F 1843442989 IPDHDKIBNFSMNI-UHFFFAOYSA-N 450.470 2.444 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cc([N+](=O)[O-])cc3c2OCC3)C1 1844689511 BSGNQHNKTUXWOX-UHFFFAOYSA-N 489.488 2.140 10 20 JECD CC(C)CNC(=O)NC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 9630479 IKRVGGKMKQGUGJ-UHFFFAOYSA-N 453.407 2.009 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(CCN4CCOCC4)cc3)CC2)cc1 726728651 XXLWMFYJHXXXCW-UHFFFAOYSA-N 466.582 2.294 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnnn3CC(F)(F)F)cc2F)C[C@H](C)O1 750958656 NITVHBBEMVOMMQ-RYUDHWBXSA-N 462.473 2.397 10 20 JECD CCN1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c(C)c2)CC1 918284667 MZXMHYUSVTWRFC-UHFFFAOYSA-N 483.588 2.368 10 20 JECD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccc(O)cc1 1781263791 BXDQPWQBHFJFPN-MSBZXQOOSA-N 468.506 2.156 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)C1CCC(C(F)(F)F)CC1)CCO2 1785540472 XXTQGRXVWHMHCU-MHVYXZCWSA-N 493.573 2.045 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)C1 1785552446 KLKHESYPVKLXDC-JVFRIABTSA-N 495.488 2.268 10 20 JECD CC(C)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)no1 1786227140 WNZJUPVNUZLJQP-ZHSOGYNESA-N 471.510 2.222 10 20 JECD Cn1ccnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1795247396 SFORBTVLGSXFTL-PLACYPQZSA-N 496.612 2.390 10 20 JECD N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cccc(Cl)c1 1795627173 ANFLGXBNPRSPQC-GTYSZEQSSA-N 480.348 2.308 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3cccc(Cl)c31)C2)c1cc(O)nc(O)c1 1796140924 ILMVDWWSBDPDFW-DXEZIKHYSA-N 457.914 2.079 10 20 JECD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796935082 UNJPXOYENSJCQH-DARKYYSBSA-N 478.549 2.173 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(F)F)C2 1798418386 RINAUHXDAWCORV-FZKCQIBNSA-N 483.512 2.437 10 20 JECD CC(=O)NC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799619732 BHZXATUKISEKSP-IUTQVRIDSA-N 466.582 2.212 10 20 JECD Cc1ccn(CC(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1804628878 VRUNORIBRSEZSR-CTWZSZLHSA-N 477.521 2.123 10 20 JECD CNc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1807089306 IECSFKXBHAEWCJ-LAUBAEHRSA-N 483.619 2.303 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807615379 AQVSYFLOPYQDMT-OXJNMPFZSA-N 485.541 2.121 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cccnc2Cl)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993855 OJKSIWSKJIBADH-IERDGZPVSA-N 467.913 2.499 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccn3cncc3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996153 MHBWTAPTXOMOHP-VGOFRKELSA-N 458.478 2.169 10 20 JECD CC(C)N(C)CC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813603257 YZYHQQXCAPSUHM-AUODUWLLSA-N 468.554 2.258 10 20 JECD COc1ccc([C@H](O)C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cc1 1817842545 FMLUFQFCYONWFB-UWJYYQICSA-N 467.482 2.264 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817846368 UKOPDGOAHPRUPW-BBRMVZONSA-N 451.487 2.417 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCN2CCOC2=O)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147277 WRLHHMYGQJNMNL-IBGZPJMESA-N 493.524 2.037 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc2ccccn2n1 1818504537 CDLHBABIIHNPKI-MRXNPFEDSA-N 483.579 2.224 10 20 JECD C[C@@H](Cn1cccn1)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828195487 OIXVTZCTKMRLSU-KHKWHVMBSA-N 483.550 2.418 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1onc3ccccc13)CC2 1828247548 YCZTWQQPFYGNIL-SNVBAGLBSA-N 487.588 2.370 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](O)CC2)CC1 1831998311 WLMPXOAXPJKPRG-BZSNNMDCSA-N 467.657 2.018 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4c(Cl)cccc34)C2)C1 1836418866 BXTOYDXPDISLSR-QHCPKHFHSA-N 486.912 2.011 10 20 JECD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccccn1 1838031840 QNMBYEDGHWKZEK-MRXNPFEDSA-N 454.527 2.304 10 20 JECD O=C(CSC1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432765 ZXQINUDJJKLCQO-QFIPXVFZSA-N 485.002 2.497 10 20 JECD COc1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433253 BRDBNKXTAJQXBN-HSZRJFAPSA-N 476.913 2.144 10 20 JECD CC(C)(C)CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840896905 AVMIBLMXEYGRAO-QHCPKHFHSA-N 499.699 2.300 10 20 JECD CC(C)(C)OC(=O)N1CC=C(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1847034100 ABHVRUJLQZTZSB-SOFGYWHQSA-N 485.537 2.197 10 20 JECD COC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1847860305 BYHOXAOXGYXEFY-WNHJNPCNSA-N 491.585 2.018 10 20 JECD Cc1cc(C(=O)COC(=O)CN2C(=O)CN(C)C2=O)c(C)n1-c1ccc(Br)cc1 19112685 XAABSRAAFLHLKO-UHFFFAOYSA-N 462.300 2.477 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)CC2)cc1 726725429 CYSGCDOYBPRXBN-UHFFFAOYSA-N 495.001 2.323 10 20 JECD CCOC(=O)C1CCN(C(=O)CN(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 728949595 TXLNSCXDMVCPLT-QZTJIDSGSA-N 492.592 2.382 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)c4ccc(C)c(F)c4)CC3)CC2)cc1 742939899 LHESPHVVEWLGEA-UHFFFAOYSA-N 483.588 2.432 10 20 JECD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 745298524 MAYGMLOEMWLKFQ-UHFFFAOYSA-N 466.538 2.023 10 20 JECD CCOC(=O)N1CCCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 748310689 JZSKHKLJQHQZDM-HDICACEKSA-N 450.555 2.220 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)N1C[C@@H]2CNC[C@@H]2C1 842517319 JNFQAVCPIOWZEE-ITJLZHHUSA-N 452.399 2.328 10 20 JECD CN(C)CCN1CCN(C(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)CC1 914445273 TUQLNFOHMNCCDW-GHRIWEEISA-N 497.484 2.356 10 20 JECD Cc1ccc(N)c(C(=O)OCC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c1 915403740 ICRHZKARWQOYLW-VXLYETTFSA-N 499.570 2.480 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(Cn4cccnc4=O)c3)cc2F)C[C@@H](C)O1 918288157 UIRXLNWGCXZLPY-HDICACEKSA-N 493.539 2.299 10 20 JECD C[C@@H](C(=O)N(C)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)n1cccn1 918696786 ARWBGNAOARVBBK-HNNXBMFYSA-N 453.465 2.074 10 20 JECD COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 918841976 JUZCMCKMWVOJNY-UHFFFAOYSA-N 451.882 2.380 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3CCCN3C(=O)Cc3ccccc3)CC2)cc1 920681635 KMYHOSZZBUUAKF-HSZRJFAPSA-N 465.550 2.121 10 20 JECD CCN(c1ccccc1)S(=O)(=O)c1cc(NC=C2C(=O)NC(=S)NC2=O)ccc1Cl 920977490 BEFBXGZZJOWNHZ-UHFFFAOYSA-N 464.956 2.382 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1F 1777846433 HOALPGATUVVRHG-WZONZLPQSA-N 459.474 2.082 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cncc(C(F)(F)F)c1)C2)c1cc(O)nc(O)c1 1777851357 XAOIFXZHOWNHRP-IIBYNOLFSA-N 480.443 2.348 10 20 JECD O=C1Cc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)ccc2N1 1778393217 PKXKBKXHAXXHDS-QHCPKHFHSA-N 471.897 2.003 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)c(F)c3Br)C2)C1 1781901361 VKBUFFWPESQZRX-HXUWFJFHSA-N 498.280 2.291 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3ccncc13)C2 1783245831 HNSFXIKPOIOCAZ-NTKDMRAZSA-N 498.630 2.223 10 20 JECD CC1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)CC1 1784320149 IVELEWFHZPLGFA-KNBMTAEXSA-N 465.978 2.076 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c(C)o1 1785995291 OCUKVXDIYSEJOE-XCRAAVHRSA-N 456.495 2.320 10 20 JECD CC(C)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)cc1 1789611896 QCPUSEMMKJXQMT-FHWLQOOXSA-N 475.636 2.264 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)on1 1792218209 MBQPKHJYDPAEBH-ZHSOGYNESA-N 471.510 2.222 10 20 JECD COc1cscc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792219118 KHOYZOUBQJSANH-KOSDZWPSSA-N 474.535 2.180 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc2nccnc2c1 1797057280 FSFBDEGZNRVGCE-YVWYUNDQSA-N 468.897 2.211 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1Cc2ccccc2O1)C1=NN(c2ccccc2)C(=O)C1 1797825367 SAYNBGJTBVEBCX-RKCFAAOBSA-N 458.518 2.421 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC(F)(F)F)C2 1802079026 QAENKOPSWWTKKG-SKBGBOCVSA-N 458.433 2.139 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)[C@@H]1CC(c2ccccc2)=NO1 1803470582 QRNNTZFCNAXKQO-XZOYJPPVSA-N 487.516 2.401 10 20 JECD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)[nH]1 1803814204 YLJAXDIXOFUVSD-WZONZLPQSA-N 471.521 2.226 10 20 JECD O=C(Cc1cccc(Cl)n1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804699919 MKBPOHIZEDUJCG-IVZQSRNASA-N 467.913 2.499 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2CCC(CO)CC2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994764 ZPOVLTKKVWKOHT-UOCUPXSESA-N 454.527 2.006 10 20 JECD Cc1nccc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n1 1808763174 HLYLKZQRSHZDCV-DVECYGJZSA-N 483.532 2.293 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc(Cl)nc2)[C@H]1c1cccnc1 1814184682 CUTDNUIRBXNFNJ-LIRRHRJNSA-N 490.010 2.310 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccsc2)[C@H]1c1cccnc1 1814185498 CEOHKYZPCCJVKN-KDOFPFPSSA-N 460.606 2.323 10 20 JECD CCOCCC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817366965 KXHLZEVWIQHVOX-CQSZACIVSA-N 455.540 2.275 10 20 JECD O=C(/C=C\C(=O)NC1CC1)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1819270946 UVDKYEZUAIFHEE-DUQGCJEPSA-N 489.536 2.030 10 20 JECD CCOC(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)OCC 1822564275 GHUZBUJVJVKGCO-AWEZNQCLSA-N 483.616 2.051 10 20 JECD COC(=O)C1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)CC1 1823714066 XKTQJYANARGZRZ-SNVBAGLBSA-N 465.915 2.387 10 20 JECD COc1ccc([C@H](O)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)cc1 1823951920 FGIQQVSRLKFOGL-OFNKIYASSA-N 469.538 2.468 10 20 JECD CC[C@@H](NC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827036962 MRARRUOJMQTCNM-IRLDBZIGSA-N 453.587 2.397 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)CCc1cc(F)ccn1)CC2 1828239828 IROJDUBGLUVFNO-CYBMUJFWSA-N 493.611 2.082 10 20 JECD CCC1(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)CCC1 1828244920 WZDWCMOJYJTHJP-NSHDSACASA-N 452.627 2.496 10 20 JECD CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1828763411 QRBHWQKCUWTOCE-VQIMIIECSA-N 483.949 2.049 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1829837158 DQVLDRKGEKFRDC-HNNXBMFYSA-N 479.584 2.017 10 20 JECD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)n1cncn1 1832204367 UUPXTFJHAYGFQZ-GCJKJVERSA-N 477.569 2.252 10 20 JECD O=C(/C=C/C1CC1)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1833326680 GAVKURVKXSGCLR-IUMFQGNOSA-N 455.555 2.354 10 20 JECD CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cn1 1833455427 VGQGUSUUBKXIHE-QHCPKHFHSA-N 492.960 2.087 10 20 JECD Cc1cccc(CC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834501552 OZBMCKGGLPPIHQ-UHFFFAOYSA-N 452.555 2.229 10 20 JECD O=Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)s1 1837922214 YNUYHZDZGSFHEO-UHFFFAOYSA-N 459.524 2.293 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433582 YFLXNWAXUGTMGL-UPCLLVRISA-N 490.940 2.289 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)C1 1843996072 ZKAGUHOOUYWNGB-UHFFFAOYSA-N 458.478 2.266 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@H]1F)C2 1844251522 DQJKNOFPUQYPMK-ULQDDVLXSA-N 477.533 2.095 10 20 JECD Cc1ccc(NCCC(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)c(C)c1 1844307880 JTJPEURBNSUTMU-UHFFFAOYSA-N 460.625 2.169 10 20 JECD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 614287867 IGKSXPYBUXPQFB-UHFFFAOYSA-N 489.560 2.296 10 20 JECD CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)c(F)c1 727250910 LKHDXCLVONFUIC-UHFFFAOYSA-N 495.543 2.097 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@H]3CC(=O)N(c4cc(C)ccc4OC)C3)CC2)cc1 742927291 MQQHTBXNRMBNPS-FQEVSTJZSA-N 466.582 2.304 10 20 JECD COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3nc(-c4cccs4)no3)CC2)cc1 914469955 JOBWFKRZDULEQL-UHFFFAOYSA-N 462.553 2.070 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)cc2F)C[C@@H](C)O1 917712253 IGIXIDRIINVZHZ-QEEYODRMSA-N 490.963 2.383 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(OCC(F)(F)F)nc1 918442812 PIFWETREISTGJJ-UHFFFAOYSA-N 466.460 2.486 10 20 JECD C[C@@](O)(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)C(F)(F)F 1781119617 QOJPETNMBMINAZ-NIKGAXFTSA-N 480.867 2.192 10 20 JECD CCOc1c(F)cc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc1Cl 1781849004 KFSNPXXVNHOMQY-JOCHJYFZSA-N 479.892 2.441 10 20 JECD Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)cn1 1785261340 QDNIMDDKAKAZGL-SSPYTLHUSA-N 489.576 2.095 10 20 JECD CC(C)[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1)c1ccccc1 1785539796 PFWKHMWSWSNKHC-NZQKXSOJSA-N 475.636 2.116 10 20 JECD CCc1nc2ccc(Cl)cn2c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1787378352 LESHWBPZHUWXQX-OWQGQXMQSA-N 499.955 2.263 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CNc3ccc(F)cc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539175 XDTKKJGBCJAGQN-HYVJGQCMSA-N 493.539 2.010 10 20 JECD Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)cc(Cl)cc1[N+](=O)[O-] 1790241413 YERDUVDXZIAEEK-IWEFOYFVSA-N 490.900 2.270 10 20 JECD Cn1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc2c[nH]c3nccc-3c21 1799176628 TXVRUDIQIQSMRZ-QDMKHBRRSA-N 496.618 2.118 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998608 NBAJECFMLPWRJL-HJPURHCSSA-N 495.467 2.497 10 20 JECD CCc1cnc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1810558817 GZHBWUNLGDOUBA-KSSFIOAISA-N 489.648 2.280 10 20 JECD COc1ccsc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1811161767 HRXAZCUGHSOLOS-KBXCAEBGSA-N 490.632 2.332 10 20 JECD Cc1nccnc1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814163512 FUELCUOJEKRKEO-NTPDFONASA-N 475.505 2.330 10 20 JECD CC(C)c1nc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)co1 1814184601 BVXBZNGTWIDFRL-BEFAXECRSA-N 487.607 2.373 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)on1 1814190318 WPSFQHUDPUKADQ-YWZLYKJASA-N 487.607 2.373 10 20 JECD CCC(=O)N[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815103295 OYHCUGUWDOIEEP-KXBFYZLASA-N 479.541 2.109 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720388 PRGWJOVBMPOXOM-OCCSQVGLSA-N 489.554 2.185 10 20 JECD Cn1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c2cccnc21 1819231292 AEOIRNBPDAFYOI-INIZCTEOSA-N 497.606 2.463 10 20 JECD COc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)nn1 1823475189 DQPDOAXHVACYPX-YXMGTMDOSA-N 480.481 2.344 10 20 JECD Cn1cccc1C(=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823480499 ZJXZIZVGAIDSCD-XAVKZTDYSA-N 479.493 2.453 10 20 JECD CNCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1826888115 JHYOMPWBFAOWSU-JOCHJYFZSA-N 453.587 2.399 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(F)(F)C(F)F)CC1 1832896728 OASDZDJANANFPG-GFCCVEGCSA-N 469.526 2.367 10 20 JECD Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)no1 1832898623 SVWKXPYGTQIETK-INIZCTEOSA-N 450.586 2.077 10 20 JECD CCOC(=O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901827 ZDMBUQUJBHVGPG-MRXNPFEDSA-N 483.656 2.056 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cc2sccn2c1 1834975583 MEZZUQBHIQXXEF-UHFFFAOYSA-N 469.567 2.306 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1)c1cc(O)nc(O)c1 1834988226 BFCUEGMKTFEMPH-AATRIKPKSA-N 495.536 2.300 10 20 JECD O=C(Cc1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431770 MGJPLVUEPJDLNV-QHCPKHFHSA-N 478.904 2.203 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cccnc4n3)C2)C1 1839433868 DUYFRBLFNVUWCM-DEOSSOPVSA-N 498.923 2.078 10 20 JECD CCc1nn(C)c(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1Cl 1847034031 VYXZAFFIDCYART-SOFGYWHQSA-N 460.918 2.283 10 20 JECD CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056385 FAYPLMLLHSAXAN-HNNXBMFYSA-N 498.671 2.134 10 20 JECD CN(C)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 15408806 RQOTUETXITYTGL-UHFFFAOYSA-N 450.992 2.029 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc(NC(N)=O)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 21463439 MPKRPRKXYHJCSV-UHFFFAOYSA-N 470.507 2.272 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CCn3c(=O)n(C)c4ccccc43)CC2)cc1 28065124 UVFIFNBSABULMF-UHFFFAOYSA-N 451.571 2.067 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 104985448 GYFQHTKSMHNADF-FQEVSTJZSA-N 479.533 2.343 10 20 JECD Cc1cc(C(=O)COC(=O)CCCN2C(=O)CN(C)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 742300676 GRLGRDVMSWZVOY-UHFFFAOYSA-N 469.494 2.265 10 20 JECD Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)CCn3cc(S(N)(=O)=O)cn3)c2C)c1 749327735 UZTAZQXAOQFYKO-UHFFFAOYSA-N 458.540 2.371 10 20 JECD CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 749701593 KSTXLVGEVCFGEK-KRWDZBQOSA-N 495.623 2.095 10 20 JECD O=C(COC(=O)CCNS(=O)(=O)c1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 849199554 AMGDQSYNKNPJDU-UHFFFAOYSA-N 492.509 2.312 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(C(=O)N4CCCCC4)CC3)cc2F)C[C@H](C)O1 916975387 DUTKMVGXWPTOMS-PMACEKPBSA-N 475.609 2.279 10 20 JECD Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 917512850 HQMVXBBLZQLONU-ROUUACIJSA-N 466.629 2.267 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 918309696 FHTWXOHFSWUWBE-UHFFFAOYSA-N 452.511 2.073 10 20 JECD CSc1ncc(Cl)c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 918926245 BFBDMLSDXGNESI-UHFFFAOYSA-N 454.911 2.301 10 20 JECD O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)NCc1ccc(N2CCOCC2)c(F)c1 919094640 ZPFQTQWVFBAXFJ-MRXNPFEDSA-N 491.466 2.153 10 20 JECD CN1CCN(Cc2cccc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2)CC1 920189656 KSTMAOVHWROLCJ-QHCPKHFHSA-N 466.582 2.286 10 20 JECD Cc1cc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n([C@H]2CCS(=O)(=O)C2)n1 1525174960 UAZCGVPOOGKSMM-INIZCTEOSA-N 458.565 2.328 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCc3ccccc31)C2)c1cc(O)nc(O)c1 1777850611 KMXMIIFPFDAWSE-UMEGOILYSA-N 451.523 2.350 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnn3c1CCC3)C2)c1cc(O)c(O)c(Cl)c1 1781122940 FBRKVXVIMSVUQL-AUSIDOKSSA-N 474.945 2.335 10 20 JECD COC(=O)c1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1782009101 RVKIEAARVGSRCU-XMMPIXPASA-N 488.924 2.224 10 20 JECD Cc1ncccc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1785129410 JPQCXFRLJKFDQO-ZHGZNUGGSA-N 481.549 2.133 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1ccncc1-c1ccccc1)CCO2 1785541397 UHPBESQUWAGFPR-DEOSSOPVSA-N 496.614 2.052 10 20 JECD C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1)[C@@H]1SC(=N)NC1=O 1788427906 DVDIMRUJBIGMQD-DIFFPNOSSA-N 469.523 2.043 10 20 JECD CC(=O)N[C@H](C)C(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788674236 XYLISDRXWVICCS-MRXNPFEDSA-N 461.522 2.438 10 20 JECD O=C1CCc2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C3=NN(c5ccccc5)C(=O)C3)C4)nc2N1 1796566819 RWWMTXHKLUKQLK-GGPHIMKMSA-N 486.532 2.011 10 20 JECD Cc1ccn2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)c(O)c(Cl)c3)c2c1 1799768550 ZMYOYGPSCKBXGJ-YVWYUNDQSA-N 470.913 2.224 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1803032655 UDQRBQKPIWQKCY-XEYPJELSSA-N 461.522 2.280 10 20 JECD O=C(COCc1ccccc1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1806874039 OCCYWDIMSWDDSJ-CYFREDJKSA-N 462.506 2.424 10 20 JECD Cn1nc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)cc1O 1811798589 SBKWCYUOYVMBRF-BFUOFWGJSA-N 471.901 2.219 10 20 JECD COc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1811925886 JIAXDQLFKYDMSS-UWJYYQICSA-N 484.603 2.270 10 20 JECD CCOC(=O)C1(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)CC1 1812468862 LEBZGZFKXUNCOA-SFYFWLEPSA-N 495.532 2.261 10 20 JECD O=C(CN1CCCCC1=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1812975045 GJJJOFPLYSHLMI-AOMKIAJQSA-N 486.956 2.478 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(OCCCO)cc1)CC2)c1cc(O)nc(O)c1 1816727309 NELVBNQAOGMKPJ-HNNXBMFYSA-N 484.534 2.250 10 20 JECD O=C(CCNC(=O)c1ccccc1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1823353875 CGXNKLDJEYRUCL-GOSISDBHSA-N 478.509 2.342 10 20 JECD COC(=O)C12CC(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)(C1)C2 1827429028 CQFKAHWFOUXREA-ZPSAWSNLSA-N 457.527 2.069 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCC(F)(F)C1)CC2 1828243731 UFVQZRCWNITXRS-ZJUUUORDSA-N 474.580 2.351 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cnccc3[nH]1)CC2 1828244778 QRTYUANNCNVTQC-LLVKDONJSA-N 486.604 2.106 10 20 JECD Cc1cnc(Cl)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1834557561 XCDVVATWORLHLO-QFIPXVFZSA-N 496.347 2.492 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C34CC(F)(C3)C4)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134618 NBILYMIXMVGJKI-UHFFFAOYSA-N 481.572 2.243 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1835692528 ZWDQLBPUONNWRB-QGZVFWFLSA-N 467.570 2.179 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccc3[nH]1)CCO2 1839493553 OYWGXKLKVDAEKL-QHCPKHFHSA-N 486.912 2.011 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)CCO2 1840122068 MQHFHYFXUSBJHB-QVZIMLGISA-N 494.544 2.077 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C3CC3)C2)C1 1840881817 PGVPFTHPRUAPMH-LNYWEAQCSA-N 494.544 2.464 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccc(-n3cccn3)cc2Cl)C1 1845293578 UTNTURZHTCICSV-UHFFFAOYSA-N 490.010 2.203 10 20 JECD COc1ccc(N2CCC(NS(=O)(=O)CCN(C)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 726602102 YETLNFRQGZGABL-UHFFFAOYSA-N 485.603 2.043 10 20 JECD CCN(CC)S(=O)(=O)N1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 726718015 IOFMQBJFMXFNTK-UHFFFAOYSA-N 489.589 2.171 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(NC(=O)[C@@H](C)OC)c3)CC2)cc1 726726823 CBZCEQQORJVJCJ-MRXNPFEDSA-N 454.527 2.392 10 20 JECD COCCN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1 731197632 XVFNYTFHLHPKIH-QXPQOBGOSA-N 488.678 2.392 10 20 JECD CN(C)CCn1cc(NC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)cn1 747217141 KVXXBYGSVAZIPY-UHFFFAOYSA-N 474.499 2.112 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(S(=O)(=O)N(C)C)c[nH]3)c2C)cc1 915410475 VXQRECMLLWAQHZ-UHFFFAOYSA-N 487.534 2.499 10 20 JECD O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 915778788 PGRZMBKTOWPFNX-UHFFFAOYSA-N 493.608 2.215 10 20 JECD C[C@H](OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 916523766 JUNDHUGTRVZVLL-NRRJATNASA-N 489.484 2.053 10 20 JECD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 917383670 HMWTUQGIUQLGCW-UHFFFAOYSA-N 476.624 2.135 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCc3nc(O)c4cnn(-c5ccccc5)c4n3)cc2)C1 917834425 YDBJGYZOFZIAMK-IBGZPJMESA-N 499.575 2.472 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cccc(N4CCOC4=O)c3)cc2)C1 919654424 KIADAMAZAYNMJN-LJQANCHMSA-N 451.527 2.344 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CCCC2)c1 920636454 VICPFNSIFQFLTB-UHFFFAOYSA-N 475.523 2.232 10 20 JECD COc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 920889781 FSUYNWUIFOWMLY-KRWDZBQOSA-N 477.583 2.086 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3c(F)cncc3F)C2)C1 1779731078 IRIUXJYJSXIXAC-FQEVSTJZSA-N 453.829 2.182 10 20 JECD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1785511830 VGSYAQPECNBVKC-KHGIRQKXSA-N 452.507 2.450 10 20 JECD O=C(Cc1ccc2c(c1)CCC2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1793849938 VSPONHYZIJPBGR-XYSZYIHFSA-N 478.545 2.138 10 20 JECD CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1795146860 VWTRAVRZPPKOKY-BAYUQKDNSA-N 474.602 2.094 10 20 JECD CN(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)c2ccccc12 1796137825 QKMDUMYUKUURPE-XHNJZIHCSA-N 476.533 2.229 10 20 JECD CC(=O)Nc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cc1 1799769540 WRGZQYDMWVWARF-FAQVEIGNSA-N 487.940 2.156 10 20 JECD Cc1cc(C)n2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CN3C(=O)CSC3=S)C4)c2n1 1801194954 GEVDOJCSUZSSPM-MUJYYYPQSA-N 471.608 2.063 10 20 JECD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)ccc1O 1804288735 CNWSGKOWIHBYCA-YKMDKHMNSA-N 454.479 2.483 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCc2cnccn2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468961 HHIYJTLYKYKJOO-FQRUVTKNSA-N 497.559 2.303 10 20 JECD Cn1ccc(=O)cc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811370600 GZRMJALKQQXESC-QVKFZJNVSA-N 482.924 2.478 10 20 JECD O=C(CCCn1cccc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1813454612 HOYLTMSLYVBGKX-GCJKJVERSA-N 485.635 2.230 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)c3nc4ccccn4n3)sc2C1 1816660576 NBCCZHBLKDRVKD-NEXMIYJRSA-N 492.517 2.242 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720570 YQWNHYPWUZOYSD-AAEUAGOBSA-N 491.570 2.336 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc[nH]c4nccc3-4)sc2C1)c1cc(O)nc(O)c1 1816820296 TWTDEOXMHVRHIY-NSHDSACASA-N 450.480 2.317 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(O)nn1)CC2)c1cc(O)c(O)c(Cl)c1 1823708285 PGWGTRNOPXAAGF-SECBINFHSA-N 461.887 2.243 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)CN2CCOCC2)CC1 1826718522 LENUCWYFSSCRHB-LJQANCHMSA-N 465.978 2.317 10 20 JECD Cn1c(=O)n(C)c2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)ccc21 1828210298 NEZOQKITCDVPPN-IBGZPJMESA-N 493.564 2.230 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCS2)CC1 1832442196 XBBRNHVNLBCTEA-CVEARBPZSA-N 455.671 2.362 10 20 JECD Cc1nc2ccc(F)cn2c1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834987420 SUFLPTNRGQQJCZ-UHFFFAOYSA-N 496.543 2.087 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cnc[nH]4)CCO3)C2)cc1 1836488172 FFHMSZWQRQOUTC-SANMLTNESA-N 477.565 2.130 10 20 JECD Cn1ccc(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)n1 1837948143 ULYRVVZUGKRILJ-UHFFFAOYSA-N 476.961 2.340 10 20 JECD Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)no1 1838111752 NIMRVVNDFODXNO-UHFFFAOYSA-N 493.564 2.317 10 20 JECD CCc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1 1839433901 GAPIPBWLMBPNAA-QHCPKHFHSA-N 475.929 2.092 10 20 JECD CCCCC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1839906114 KWQQYUNETLPSLK-NUQWRYRGSA-N 476.570 2.489 10 20 JECD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1840895555 XWKROMJGVSFSBV-XPHTUUDFSA-N 482.533 2.077 10 20 JECD C[C@H](CC(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1)NC(=O)OC(C)(C)C 1843441937 ZVGMUJCXZHFEMF-QGZVFWFLSA-N 483.569 2.286 10 20 JECD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 731131092 FRUOZHJKUMULSQ-UHFFFAOYSA-N 488.610 2.437 10 20 JECD COc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)NC[C@@H]4CCCO4)c3)CC2)cc1 913461968 YCWGOQMTDHTBTG-NRFANRHFSA-N 459.568 2.115 10 20 JECD CCOc1ccccc1N1C[C@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1=O 917832301 SEDLWGGGAOCMIQ-WOJBJXKFSA-N 464.566 2.456 10 20 JECD C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1=O 917832918 JOKRSTSCGAXSJL-PKOBYXMFSA-N 450.539 2.209 10 20 JECD COc1cc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)ccc1C 918122534 MAIDUSMGJBXDKE-QFIPXVFZSA-N 493.608 2.373 10 20 JECD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918139867 GQUKOQFDANZBDM-ZACQAIPSSA-N 479.574 2.431 10 20 JECD CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 918221846 RTQKBYIUHOUWPM-QRVBRYPASA-N 463.598 2.181 10 20 JECD CCS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918286292 GUNUJRBGAYXNQR-IYBDPMFKSA-N 477.558 2.488 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)cc2F)C[C@@H](C)O1 918286691 KCHKIGNXBOCKRW-IAGOWNOFSA-N 496.539 2.343 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(C(=O)N(C)C)c3)cc2F)C[C@@H](C)O1 918288066 SRSIPCCQUJSAGL-IYBDPMFKSA-N 456.518 2.396 10 20 JECD C[C@H]1CN(c2ccc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cn2)C[C@@H](C)O1 919100639 NVQRJXYUORFGOR-HDICACEKSA-N 486.544 2.144 10 20 JECD CC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919799932 LSQRUMVTFXBUNZ-UHFFFAOYSA-N 491.527 2.156 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)c1 919817109 PFYRCNPMAOUOEV-UHFFFAOYSA-N 497.371 2.412 10 20 JECD Cc1ccc(C(=O)NCC(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 1317950104 UMWCTMSMGXILEX-GJZGRUSLSA-N 477.558 2.399 10 20 JECD CCOC(=O)O[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781122900 ADURDZJXPRBFPG-OIAISFKWSA-N 484.933 2.440 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)/C=C/c3cccc(O)c3)C2)C1 1783275581 KZYUVUZLBIASFO-ZWCFQKMDSA-N 466.490 2.066 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3ccc(F)cc3F)C[C@@H]21)c1cc(O)nc(O)c1 1787290222 JOFKYHJUQWSDFB-NUTKFTJISA-N 479.505 2.157 10 20 JECD C[C@@H](Nc1cnccn1)C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792315186 NTWMWKGZMNCLAS-CQSZACIVSA-N 484.607 2.271 10 20 JECD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796603461 OBMCBIQEQUTNHJ-MDWSFGPVSA-N 460.531 2.048 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1800626267 WUIDWHMTYAMLAI-NTNQKNOYSA-N 460.914 2.422 10 20 JECD CC(C)COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)ccn1 1802080041 GCIGMAXTECQLKG-DCAAUXNUSA-N 497.548 2.150 10 20 JECD CO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1802386705 JPSSDQFRPWNKNM-IQZDNPOKSA-N 491.585 2.207 10 20 JECD CSCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1803630189 MNVYRQBCGRBMEQ-CRAIPNDOSA-N 480.681 2.337 10 20 JECD Cc1cc(C)n2ncc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)/C=C/c3ccc(O)c(O)c3O)c2n1 1804286507 SNUYFARZFWCEAP-DTUWPTEXSA-N 477.521 2.428 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1nnsc1C1CC1 1808733545 LQCBWSFXJJEITA-KUHUBIRLSA-N 466.523 2.250 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cncc(O)c1 1812914957 PKRVDBNHEMYDAJ-TXXGBIHESA-N 476.489 2.332 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc3c[nH]nc3c2)[C@@H]1c1cccnc1 1814189489 QSDREBXDRNQFPT-LAUBAEHRSA-N 494.602 2.138 10 20 JECD COc1ccccc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814190392 ZEAVZSXMHUYJHN-IERDGZPVSA-N 484.603 2.270 10 20 JECD O=C(/C=C1\C(=O)Nc2ccccc21)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816724829 ANRNMYWYGJTNGN-GVIGZQTCSA-N 477.502 2.211 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cocn1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817362813 WFUYQFIVOQPVEJ-GFCCVEGCSA-N 450.480 2.150 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)ncn1)CC2)c1cc(O)c(O)c(Cl)c1 1823708246 OPJMKIMIMGTESQ-VIFPVBQESA-N 461.887 2.243 10 20 JECD Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cn1 1825817499 CEBLDMOOPCTLHW-GOSISDBHSA-N 460.625 2.484 10 20 JECD Cc1nnsc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1835183598 UMQKVYPRJDUOCL-UHFFFAOYSA-N 479.990 2.410 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1Cl)CCO2 1837779035 MKKWQYOGXLAVTE-OAQYLSRUSA-N 482.320 2.183 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)cc1 1839722239 IICJLNLUHAPAPZ-SANMLTNESA-N 477.565 2.130 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccsc4[nH]3)C2)C1 1840881151 FTTPZTAYCODWAL-UQPVFDRXSA-N 499.545 2.130 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)[C@H]2CCc3ccccc3[C@@H]2O)C1 1841386666 NGFONBYXXOBBQP-URXFXBBRSA-N 472.545 2.279 10 20 JECD Cn1ncc2c(C(=O)N3CC4(CCCN4C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)cccc21 1843441666 PIRCLRMNORCSDJ-UHFFFAOYSA-N 456.506 2.183 10 20 JECD CS(=O)(=O)c1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)cc1 1845501044 SRPMWXSMWGSYKA-UHFFFAOYSA-N 478.954 2.214 10 20 JECD COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 728877058 IOFLOSILXRWBOG-UHFFFAOYSA-N 468.535 2.087 10 20 JECD O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCc1nnnn1-c1ccccc1)c2[N+](=O)[O-] 730498019 OORHYIHNOXQUIV-UHFFFAOYSA-N 454.402 2.276 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1 747016408 AMKFNDUANUGFMR-UHFFFAOYSA-N 458.584 2.354 10 20 JECD O=C(NCC(=O)N1CCN(c2ccccc2)CC1)NCc1ccc(N2CCSCC2)cc1 749214904 KCVSPNWYEUNJNV-UHFFFAOYSA-N 453.612 2.388 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)cc2F)C[C@@H](C)O1 750130800 CAGTUVKJEYRRHS-HLIPFELVSA-N 475.561 2.247 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2F)C[C@@H](C)O1 917708644 DHNUWXHEUZTCPR-HDICACEKSA-N 491.585 2.390 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCCCN3CCN(c4ncccn4)CC3)cc2F)C[C@@H](C)O1 918203012 UHBCYFVKNCVHDX-BGYRXZFFSA-N 485.608 2.241 10 20 JECD O=C(CCCNC(=O)c1ccc(F)cc1F)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918339712 GGVYPARXPYIRBJ-UHFFFAOYSA-N 465.522 2.026 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 918439077 QYSNXSWAOIZLFA-UHFFFAOYSA-N 463.567 2.483 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccc(C)c(S(=O)(=O)N(CC)CC)c3)nc12 918964907 DSTTXACFXGVSBU-UHFFFAOYSA-N 490.538 2.308 10 20 JECD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1C 919072235 MBJMQABHRVESBU-MOPGFXCFSA-N 472.563 2.164 10 20 JECD CCC(=O)N1CCCC[C@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 919471230 IRSOCDGKRFRQLS-FQEVSTJZSA-N 475.567 2.259 10 20 JECD O=C(Nc1ccccc1CN1CCOCC1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 919663903 VFHKCTHCGKULAC-OAQYLSRUSA-N 453.539 2.371 10 20 JECD O=C(Cc1csc(N2CCCC2=O)n1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919699036 GBQFWPHGQUOQNY-UHFFFAOYSA-N 495.584 2.385 10 20 JECD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)C[C@@H](C)O1 919766820 XLDVRWCKNYHFOI-RTBURBONSA-N 473.595 2.251 10 20 JECD O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 919970599 ONXNDKNYIFZETL-PTNGSMBKSA-N 461.559 2.383 10 20 JECD C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(N2CCOCC2)cc1 920869250 QNEBWGUWKVQPNT-GOSISDBHSA-N 474.583 2.427 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H](C)OC[C@H]2CCCO2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 921096097 OZMQEBPLFHHMHX-FUHWJXTLSA-N 464.540 2.052 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1[nH]nc3ncccc13)C2)c1cc(O)c(O)c(Cl)c1 1781122791 OWKUULPJWOVGDM-UZUQRXQVSA-N 485.928 2.464 10 20 JECD CC(C)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)CC1 1782004337 VOUUPNHGFCHEFY-HSZRJFAPSA-N 465.978 2.315 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cccs1)C2 1783245200 MBOMUHCLKMSYHA-IIBYNOLFSA-N 481.665 2.055 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)c1ccccc1)CCO2 1785503929 UNZMQUYJHGFBFV-BURROFAESA-N 456.470 2.357 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)n(C)n4)C[C@@H]32)cc1 1790126221 FUQQQHXMVOACQJ-RRPUWOKSSA-N 477.565 2.440 10 20 JECD O=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)=Cc2ccccc2N1 1798438108 GAROJMXOIFLKPT-FAQVEIGNSA-N 497.935 2.380 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccn(C)n2)C3)cc1 1799620494 NGNXHYJVYXZJIG-GQEURGSBSA-N 461.566 2.274 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccc(F)cn13)C2)c1cc(O)c(O)c(Cl)c1 1799768261 PYKJNUYPISZEIB-DBWKPXFBSA-N 474.876 2.055 10 20 JECD O=C(COc1ccccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1800648330 IUPCBXSQRUWUAA-VTEUUUEMSA-N 464.877 2.173 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cc(Cl)ccn1 1810714153 IINHUPFYAFCXIM-KUHUBIRLSA-N 490.010 2.310 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1O2 1812887910 BDWNZYICVVPOID-VXOLBTITSA-N 487.560 2.448 10 20 JECD O=C(Cc1ccc(F)c(F)c1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1814093211 BFLNQFWGAUARQZ-LLVKDONJSA-N 496.586 2.436 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cnccn2)[C@@H]1c1cccnc1 1814162285 IEGVULAXDPOANK-NWWLCNQNSA-N 461.478 2.021 10 20 JECD Nc1nc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cs1 1814162818 RIUHHRCSDJMLEI-CVCWVKEYSA-N 481.534 2.270 10 20 JECD Cc1cncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c1 1816501419 XTJKPXVQVJYATH-HNNXBMFYSA-N 458.569 2.279 10 20 JECD CN1CCC[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)C1 1822560038 UPASZSVRHXIHFL-LTBMOJJQSA-N 472.567 2.227 10 20 JECD C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708221 OJCAAODYSHPXQZ-GXSJLCMTSA-N 487.987 2.114 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)CCN2CCCCC2)CC1 1826545550 OWVSANOLLVHCCG-IBGZPJMESA-N 480.700 2.342 10 20 JECD N=C(N)SCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1826878721 CYLUZQPIUWDIFY-FQEVSTJZSA-N 484.626 2.416 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827687819 COXNPRDFMXZALH-FDDCHVKYSA-N 481.597 2.266 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCCCC1)CC2 1828199507 WPWKETSUUFBDKN-BOSPYUDASA-N 472.567 2.371 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1cncnc1 1834237147 OVYBMHSWSMAQFP-UHFFFAOYSA-N 459.934 2.040 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnnc4ccccc34)C2)C1 1839433811 CBNHFDHLXYENRL-DEOSSOPVSA-N 498.923 2.078 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1841890222 TWHKHLTXCYYBNF-CSNYQSHPSA-N 463.534 2.077 10 20 JECD O=C(c1ccc(OC(F)F)cn1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441398 RMPACJYZSJSYND-UHFFFAOYSA-N 469.448 2.293 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)c3cc(NS(C)(=O)=O)ccc3O)cc2F)C[C@@H](C)O1 115734831 BFHVINMYTXUKHL-ZIAGYGMSSA-N 451.520 2.446 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCNC(=O)c2cccc(Br)c2)c1 725898494 ILAOKSZBPMDDBZ-UHFFFAOYSA-N 470.345 2.076 10 20 JECD COc1ccc(N2CCC(NC(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CC2)cc1 726561467 ZCMVVEBGZJQVFA-UHFFFAOYSA-N 459.568 2.115 10 20 JECD COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c1O 727762482 LCLYURIPEKQZKA-UHFFFAOYSA-N 463.512 2.335 10 20 JECD CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)cc1F 731356326 BBCNGKUCYVMBIX-QFIPXVFZSA-N 478.546 2.214 10 20 JECD O=C(COC(=O)c1ccc(S(=O)(=O)CCO)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 747572215 YQOISOHYDBYYEO-UHFFFAOYSA-N 493.493 2.024 10 20 JECD O=C(O[C@@H]1CCOC1=O)c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O 864094459 GFTVGZICZWSOHT-OAHLLOKOSA-N 456.816 2.227 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCN3CCN(c4ccccc4)CC3)cc2)C1 918117189 IHHMKBNLALMZFO-QFIPXVFZSA-N 464.614 2.010 10 20 JECD CN1CCN(C(=O)c2ccc(CNC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)CC1 918204890 BTIACVZCVOXSEA-UHFFFAOYSA-N 469.561 2.049 10 20 JECD CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)s1 918728686 XFYULNJXYGMMJO-UHFFFAOYSA-N 451.979 2.252 10 20 JECD CCOC1CCN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1 918738375 ACURSVFRLSXVGN-UNOMPAQXSA-N 477.608 2.234 10 20 JECD Cn1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(C(F)(F)F)n1 1779546070 WZDUVMCUDNZDKD-LJQANCHMSA-N 488.850 2.261 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1n[nH]c2c(Cl)cccc12 1781217673 DGENKXIESPEDJY-WAIKUNEKSA-N 485.928 2.464 10 20 JECD COc1cc(F)ccc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1784916173 MYMBGBRBPNWYNP-MLENBVEFSA-N 472.469 2.108 10 20 JECD COc1cc(C)ccc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1785005860 VWUJZUCQHDRTCR-AAHGLTIQSA-N 468.506 2.277 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc(Cl)c(F)cc1F 1790009849 ZSSHDYSOCQLZOY-SVKFGRERSA-N 467.856 2.332 10 20 JECD C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1)Oc1ccccc1 1796481290 XOSNZUREIPGHIY-FDTRYVBHSA-N 490.560 2.227 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1csc2c1CCCO2 1796558477 HWLRDUBRKPBTLK-CLLJXQQHSA-N 465.622 2.185 10 20 JECD COc1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)cc1C 1796932491 DWTYMUQYDAIDIW-FNLKRUPLSA-N 461.522 2.443 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc(F)cc(F)c1F 1801769830 VQQPHIQIORZYMT-HSAQVAQVSA-N 486.450 2.100 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2COc3ccccc3O2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993665 LLBHXYVAFDBZMB-YBVWCTEOSA-N 476.489 2.047 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)CC1 1807994339 UMQHYIZLTDQATN-LYNVYRENSA-N 482.537 2.187 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cccc2c[nH]nc12 1808065248 FYVHETMDCQHEPJ-HRAATJIYSA-N 494.602 2.138 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC2(CCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)CC1 1810913927 DIARFJMMMIDKGV-HXUWFJFHSA-N 450.539 2.052 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cnco2)[C@@H]1c1cccnc1 1814161925 NEBXJJRFQMUYHR-CVTZPFNJSA-N 450.451 2.219 10 20 JECD CCOc1ncccc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814184803 GJLZOJNXSIHTQL-OXQOHEQNSA-N 499.618 2.055 10 20 JECD O=C(COCc1ccccc1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722019 AUIHCVIQFQDJMX-OAHLLOKOSA-N 454.508 2.392 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1Cc3ccccc3N1)CC2)c1cc(O)nc(O)c1 1816728705 NEZXGUDWUKBJJL-CJNGLKHVSA-N 451.508 2.212 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cocn1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817362816 WFUYQFIVOQPVEJ-LBPRGKRZSA-N 450.480 2.150 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccnc3nc2O)[nH]n1)c1cc(O)nc(O)c1 1817847025 HHIRCTCHVYMXKS-MRXNPFEDSA-N 475.465 2.484 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3[nH]cnc3-c3cccnc3)sc2C1)c1cc(O)nc(O)c1 1821258896 QKHYDJCPZATUHB-CYBMUJFWSA-N 477.506 2.274 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3nc4ccccc4o3)sc2C1 1823946727 JUHRWNMUFWSDTI-JTQLQIEISA-N 487.588 2.370 10 20 JECD O=C(c1cccc(=O)n1O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715448 URXFDLJHCHVRDM-NRFANRHFSA-N 491.548 2.112 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(Cl)cn1)CC2 1828244848 TVQFLGMDCYXHLW-JTQLQIEISA-N 482.012 2.278 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccns3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134321 DCEVCPJOYLPZPE-UHFFFAOYSA-N 480.594 2.121 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccccc13)CCO2 1836942615 HNBGDMKZUWALLV-HSZRJFAPSA-N 486.912 2.011 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CCC(OC4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)c2n1 1838029966 WJSSBRWBCYSPTF-UHFFFAOYSA-N 495.536 2.304 10 20 JECD Cc1ncc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)s1 1839433115 LLPYKNUIVPAFPV-ZZTDINLMSA-N 493.969 2.300 10 20 JECD C[C@@H](Cc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881145 FFLSRCPWIDJWST-KIVJQPFTSA-N 496.560 2.152 10 20 JECD COC(=O)C1=S=C(NC(=O)c2ccc(C(=O)Nc3ccc(C(=O)OC)s3)s2)C=C1 603732763 BPMFLWGQEOYXAI-UHFFFAOYSA-N 450.519 2.357 10 20 JECD CNC(=O)CCOc1ccc(NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 729582058 VRTVLCVHLGLXQI-UHFFFAOYSA-N 455.559 2.154 10 20 JECD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)cc2)CC1 731131945 VXLJTYCEQANNFK-UHFFFAOYSA-N 493.608 2.449 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)c1 857484189 WPQJSOJXVRJYEL-MRXNPFEDSA-N 457.430 2.096 10 20 JECD CCOC(=O)C1CCN(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 917912672 WDQNIGDITLWXCF-UHFFFAOYSA-N 479.521 2.152 10 20 JECD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918139865 GQUKOQFDANZBDM-BBWFWOEESA-N 479.574 2.431 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(CN4C(=O)CNC4=O)cc3)cc2F)C[C@@H](C)O1 918141678 YOVLBHXTKARVGB-HZPDHXFCSA-N 454.502 2.421 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)N3CCc4cc(F)c(F)cc43)CC2)cc1 918248740 AFAKUCKYQAHVAX-UHFFFAOYSA-N 458.509 2.191 10 20 JECD COC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c2ccccc2O1 918288477 VLZXFCNAESAYTE-ZMPRRUGASA-N 485.512 2.023 10 20 JECD Cc1occc1C(=O)Nc1nc(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cs1 918338133 URDGLPULAIUJPF-UHFFFAOYSA-N 488.591 2.391 10 20 JECD CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918372544 MIVPDAOYKVKEAU-YADARESESA-N 461.566 2.233 10 20 JECD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NCc1ccc(N2CCOCC2)cc1 919772847 NYRBHUISDKLVFH-UHFFFAOYSA-N 460.556 2.294 10 20 JECD Cc1nccnc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1779876213 TUOPEGALWJUWFK-VGOFRKELSA-N 460.918 2.291 10 20 JECD CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)CCCCC1 1782138575 GFVQERRRIXPMBC-OPAMFIHVSA-N 467.657 2.331 10 20 JECD COC1(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)CCC1 1782816051 RXCXPNKQIVLJCN-YGBPNOIISA-N 474.554 2.290 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(-c2ncc[nH]2)cc1 1783020933 HPXSWQKRSCDEOM-KBMIEXCESA-N 477.521 2.324 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1Cl)C2 1783246067 QDDXPTUEDVZTJB-IIBYNOLFSA-N 482.027 2.328 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC[C@@H]3CCCC[C@@H]31)CCO2 1785539703 GOUIPPOIWLKAMY-OVCNXMPXSA-N 479.668 2.283 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc2c(s1)CCCC2 1788306934 AQOZRRDLIBUMKB-XIRDDKMYSA-N 457.552 2.340 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cn(-c2ccccc2)c2ncccc12 1796085379 QCYLLRZPNXDHIO-MRSFGVLCSA-N 499.527 2.349 10 20 JECD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[S@@](=O)c1ccccc1 1800216392 POHNTSGBJUDNQF-PZYACEHOSA-N 492.981 2.151 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])o1 1802265325 PQNPROPPLQLHEU-DJJJIMSYSA-N 453.411 2.022 10 20 JECD COc1nccnc1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1804980662 MSMLAYKAVCWFHU-IRUILINGSA-N 491.504 2.030 10 20 JECD Cc1ncsc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1805760560 VINURVVEMNOUDN-YOEHRIQHSA-N 475.621 2.026 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807995301 PBHZRNLSXLCIFS-YHEJKZAPSA-N 462.510 2.103 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)N1CSCSC1 1807996137 YUHSPFGNIIULMS-AKCHCHLHSA-N 489.623 2.250 10 20 JECD O=C(NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](O)CC2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470881 ZSTQGASKTOSZGJ-BEVVLCPKSA-N 489.576 2.431 10 20 JECD CC(C)n1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n1 1811577857 VXVAKUWFOIBWCT-KKSFZXQISA-N 450.499 2.299 10 20 JECD CNc1nsnc1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162917 ZCLNYNLQFXIFEJ-NFJZJNBUSA-N 496.549 2.125 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@H]2CCC(F)(F)C2)[C@H]1c1cccnc1 1814186110 XDPFHCLYFXWHRB-YEWWUXTCSA-N 482.578 2.383 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccn3cncc3c1)CC2)c1cc(O)nc(O)c1 1816725331 HGKKDPGILBLXQF-ZDUSSCGKSA-N 450.480 2.137 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2c[nH]nc2c1 1816795935 MRSMHSNFMKBARF-CYBMUJFWSA-N 450.480 2.365 10 20 JECD CS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cc1 1817844525 BEDVASHSGKCDKC-GOSISDBHSA-N 499.549 2.168 10 20 JECD O=C(Cc1ccncc1)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1822532778 CJIIEFIRUPJYPQ-INIZCTEOSA-N 474.546 2.486 10 20 JECD CCOC(=O)O[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1824600381 ASASKAKDAHIMSG-UONOGXRCSA-N 499.549 2.410 10 20 JECD O=C(CCc1ncc[nH]1)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1826514408 KTUCEAXZYWKFGI-AWEZNQCLSA-N 477.550 2.204 10 20 JECD O=C(O)CSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717686 SNDBLXOHBLMXTM-FQEVSTJZSA-N 486.594 2.217 10 20 JECD Cn1nc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)c2c1CCC2 1828199530 XPUCJELLLANBJA-PPOCWRSBSA-N 495.561 2.421 10 20 JECD CCn1nc(C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902398 LEWWXSVPEUYXGY-QGZVFWFLSA-N 477.656 2.305 10 20 JECD Cc1cc[nH]c1C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1833985212 BMZLTUXFCCNJFL-HWKANZROSA-N 468.554 2.339 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1occc1Br 1835156836 BOHASYOVKZRZJC-UHFFFAOYSA-N 493.358 2.347 10 20 JECD O=C(C[C@H]1COc2ccccc2O1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1836827261 XFACACABEJGVCE-FQEVSTJZSA-N 497.548 2.335 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccon4)C3)C2)cc1 1839348432 ASFDIBVTBROOPD-RUZDIDTESA-N 464.522 2.466 10 20 JECD Cc1ncncc1C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331461 ZYTOZEUMDLQLGL-OAQYLSRUSA-N 494.596 2.320 10 20 JECD COc1ccc(F)cc1CC(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442556 RTOWGVRALQYTFV-UHFFFAOYSA-N 464.497 2.373 10 20 JECD C[C@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 14077120 NOZTZKRSUVZREQ-STQMWFEESA-N 489.933 2.306 10 20 JECD C[C@H](OC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 105001743 DPRVTCKJIAXMJK-UONOGXRCSA-N 455.488 2.157 10 20 JECD C[C@H](NC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(N2CCOCC2)cc1 726248385 ZIZIRPLGHMLQMP-UPCLLVRISA-N 451.527 2.138 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 726529262 VPNAVZQJJUKRKK-DEOSSOPVSA-N 495.580 2.455 10 20 JECD O=C(Cc1ccc(O)cc1)NCC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 726819075 DKYVDXXOPABWQC-UHFFFAOYSA-N 472.453 2.008 10 20 JECD Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C)n1-c1ccccc1Br 728699447 VDJWQMJAVPYDQR-UYAOXDASSA-N 496.427 2.084 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc1F 731408100 FHHLNPDPJVVJSG-UHFFFAOYSA-N 489.573 2.397 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(F)c(F)c3F)CC2)cc1 915744709 SIONZGMVBRSVRA-UHFFFAOYSA-N 450.461 2.380 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)cc2)C1 918001865 XYDYVCDLADFTQA-URXFXBBRSA-N 483.588 2.400 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(Cc4ccc5c(c4)OCCO5)CC3)cc2)C1 918118916 WBVSZDITCIWZFJ-JOCHJYFZSA-N 493.608 2.187 10 20 JECD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918139866 GQUKOQFDANZBDM-ULQDDVLXSA-N 479.574 2.431 10 20 JECD COc1ccc(-c2noc(CS(=O)(=O)CC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 919651031 PQUDBDMRYACQLB-UHFFFAOYSA-N 486.550 2.017 10 20 JECD O=C(CSCC(=O)N1CCCCC1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919699351 LQNQIGKEGDMVGD-UHFFFAOYSA-N 486.617 2.304 10 20 JECD CCOC(=O)c1c(N/C=C2/C(=O)NC(=S)N(CCOC)C2=O)sc2c1CC(C)(C)NC2(C)C 920976171 KIWXFSJSJCQITL-QBFSEMIESA-N 494.639 2.270 10 20 JECD Cc1noc(C)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778126321 RSIBFHFHCJKROT-CJFMBICVSA-N 479.537 2.212 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccn(C(F)F)n1 1788941675 ANHBHZMCYFSYNH-PKWAYOAASA-N 470.860 2.250 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-c3cccnc3)cc1)C2)c1cc(O)nc(O)c1 1796140486 MYYWMDUFDMXHPG-JHDGKUDLSA-N 460.490 2.072 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cc(Cl)cnc1O 1796932108 NGNXWYXLFJIFDZ-ACHSLPGTSA-N 467.913 2.485 10 20 JECD O=C(/C=C/c1cccnc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1804637155 FOMAPAZRCYQRTO-TYNOOCNWSA-N 481.603 2.056 10 20 JECD COc1ccc(OCC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)cc1 1805177864 BIUDKVRARCGTPM-UHFFFAOYSA-N 491.635 2.166 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1cc(=O)cco1 1806125759 AJMMRUDGYZYOOD-HOYKHHGWSA-N 485.500 2.147 10 20 JECD Cc1cncc(CCC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)c1 1807038604 ZRFVJEOSSYCHBP-UHFFFAOYSA-N 474.652 2.414 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1808000620 KFWUJZDJRUYNJP-NVVBAYIOSA-N 489.532 2.026 10 20 JECD CO/C=C(\C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1810147666 PSJYYHOPEZWIGK-FPNQEUPVSA-N 453.495 2.468 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccn(C(F)F)c1=O 1810604055 PBIYSRHZOHHMTL-LIRRHRJNSA-N 485.447 2.078 10 20 JECD Cc1ccn2c(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)cnc2c1 1812254476 VGRSNQUZSWQUNL-UZUQRXQVSA-N 472.505 2.477 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc([N+](=O)[O-])o1 1814312770 FPRISEDKIOPHAR-LLVKDONJSA-N 478.512 2.077 10 20 JECD CNc1nsnc1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817357403 OXNDJNFOBKYRBU-LLVKDONJSA-N 496.578 2.055 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc2c[nH]nc2c1 1817882190 VLIZSZPHYHSWPU-INIZCTEOSA-N 483.579 2.452 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822820089 XOUYMRHHRJFCPQ-CJNGLKHVSA-N 488.595 2.125 10 20 JECD Cc1nnc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)s1 1823497343 UWESFCOCRXQBSA-CYBMUJFWSA-N 493.640 2.055 10 20 JECD CN1N=C(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)CCC1=O 1823708394 XCMRZQGRJIIOER-SNVBAGLBSA-N 477.930 2.042 10 20 JECD O=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)C1CC1 1824121679 MFKBFPIVUGUCLR-NRFANRHFSA-N 450.539 2.378 10 20 JECD NC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)c1ccccc1 1827425934 DLZPWCDPAJUGPR-NHCUHLMSSA-N 452.555 2.469 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)CN2CCCCC2=O)CC1 1831769638 UWRXUHDRVSQAKK-CSNYQSHPSA-N 485.581 2.449 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncnc4)C3)C2)cc1 1839348868 QSSRXIYMBHQMNB-AREMUKBSSA-N 475.549 2.268 10 20 JECD COC(=O)Cc1sc(NS(=O)(=O)c2ccc(OC)c(C(N)=O)c2)nc1-c1ccccc1 727250480 LZVVCVGRXKNCBM-UHFFFAOYSA-N 461.521 2.434 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Br)cc1C(=O)O 728015810 WDUNMIOUBKACBS-UHFFFAOYSA-N 493.313 2.018 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)C[C@@H](c3ccccc3)N3CCOC3=O)CC2)cc1 728376381 QCQNJDVVTMMQIM-QFIPXVFZSA-N 467.522 2.471 10 20 JECD CCN(C(=O)[C@H](C)OC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)[C@H]1CCS(=O)(=O)C1 728637114 IENLIISUWDODKU-HKUYNNGSSA-N 464.584 2.485 10 20 JECD COc1ccc(N2CCN(C(=O)CSc3nn4c(=O)c(C(C)(C)C)nnc4s3)CC2)cc1 844138313 AXZXYZOQGKDNBZ-UHFFFAOYSA-N 474.612 2.293 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)Cn3c(C(F)(F)F)ccc(C(N)=O)c3=O)cc2F)C[C@H](C)O1 917205315 ZMYFQOBMKGMWFC-STQMWFEESA-N 484.450 2.035 10 20 JECD CC(C)NS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1F 917708143 HVKXDLHBMCCRDH-UHFFFAOYSA-N 453.511 2.418 10 20 JECD CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1F 917834169 XPTVCTVARIXQKP-IBGZPJMESA-N 490.601 2.488 10 20 JECD CC[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1OCC(=O)NC 918123632 ZPQJJLWXOOHDST-UGKGYDQZSA-N 481.597 2.464 10 20 JECD CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 918848597 KKRAQDZRXKFDNX-UHFFFAOYSA-N 488.481 2.198 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CCNC(=O)C(C)(C)C)cc2F)C[C@@H](C)O1 918874646 GZMBBBARWIJFRY-HZPDHXFCSA-N 451.539 2.151 10 20 JECD COCCn1cc(C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccc1=O 919581471 STAHOMVXSRQTIR-OAHLLOKOSA-N 474.469 2.454 10 20 JECD Cc1sc(=O)n(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1C 920628367 ZLSRTXJFSXXZAL-UHFFFAOYSA-N 477.564 2.008 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)NC[C@@H](C)O)cc3)cc2F)C[C@@H](C)O1 1335808869 YETNZVNVIORMFQ-ZACQAIPSSA-N 479.574 2.028 10 20 JECD O=C(Cc1c[nH]c2ccccc12)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1780579452 BEWRWPCLGIREHP-CJFMBICVSA-N 464.522 2.344 10 20 JECD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c(C)c1 1780866153 JOQMQXHZKNBXLW-AREMUKBSSA-N 476.533 2.240 10 20 JECD CC(C)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781122816 RGHFRWWWWFYVSD-XMSQKQJNSA-N 453.967 2.267 10 20 JECD CO[C@](C)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1)c1cccc2ccccc12 1796137109 WLXHGRSNYXSHNI-FSKFMFSLSA-N 491.544 2.411 10 20 JECD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)nn1-c1ccccc1F 1796485869 XKAFMAUGRSSCBF-MUJYYYPQSA-N 481.484 2.392 10 20 JECD Cn1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc2ccccc21 1796768228 DWKWJAZGJRQFAL-HBNMSFMJSA-N 485.544 2.174 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3ncccn3n2)cc1 1796958777 NIVIUQRMRJQTIC-VTYHHJSWSA-N 485.548 2.049 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccc(C(F)(F)F)n1 1798086842 GHTLWZMFCPFGLF-BTRCDTFPSA-N 493.438 2.134 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3cc[nH]c13)C2 1802079493 DFKSIBFCRCFBOK-ZLSBKTEHSA-N 463.490 2.201 10 20 JECD CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1804620787 FSDGTEDZMBQAPC-MUJYYYPQSA-N 462.547 2.296 10 20 JECD Cn1ncc2c(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)cccc21 1807996564 VJZMEMNNVZLUBT-HJPURHCSSA-N 472.505 2.408 10 20 JECD O=C(NC[C@H]1CCN(C(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998141 ISHLTNQOPMSSMB-UMBREFOOSA-N 499.527 2.117 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2n[nH]c3ccccc23)[C@H]1c1cccnc1 1814189090 LWIRNBYEPARFCX-VFNWGFHPSA-N 494.602 2.138 10 20 JECD Cc1cccn2ncc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)c12 1816728950 OPTLSKFZJHQDLW-ZDUSSCGKSA-N 464.507 2.445 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1c(F)ccc(O)c1F)CC2)c1cc(O)nc(O)c1 1816729114 RGRALFRNCXMETF-SECBINFHSA-N 462.434 2.473 10 20 JECD O=C([C@H]1Cc2ccccc2CN1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427944 VNNCXKRKCHEIQD-YADHBBJMSA-N 464.566 2.441 10 20 JECD Cc1cccnc1CCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833780962 KLBOYUXFXBIQMQ-UHFFFAOYSA-N 467.570 2.014 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(Cl)s1)CCO2 1838159528 HPZDARNUDFOGHZ-IBGZPJMESA-N 488.349 2.245 10 20 JECD Cc1ccc(O)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1 1839433290 DFDQORVXDCEJFR-QHCPKHFHSA-N 476.913 2.149 10 20 JECD O=C(Cc1cccc(Br)c1F)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843248810 QCHOHQTVPZRQKT-UHFFFAOYSA-N 464.291 2.454 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1cncc(O)c1)C2 1843331266 CVFKJMXBEOOYGR-OAQYLSRUSA-N 495.580 2.322 10 20 JECD COc1ccc(CC(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cc1F 1843442752 UBXCVXDYAIIERB-UHFFFAOYSA-N 464.497 2.373 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1846193304 SDAWQSBZWJVGHO-XSCLSICSSA-N 499.564 2.420 10 20 JECD O=C(c1cccc(F)c1[N+](=O)[O-])N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038217 HUYSGQSSUJACEO-SOFGYWHQSA-N 457.414 2.381 10 20 JECD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 19394779 IVVXIMVHHHLICB-UHFFFAOYSA-N 478.482 2.166 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CCNS(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 24088414 CNQFNHNPKNFIND-UHFFFAOYSA-N 488.654 2.309 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)c1ccc(N2CCOCC2)cc1 727947621 PDSMZZSSDRNMSQ-MRXNPFEDSA-N 476.533 2.345 10 20 JECD CSC[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 728300533 HVZMGAFUVDVHRO-NJDAHSKKSA-N 459.612 2.388 10 20 JECD CCS(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 749969279 BGCGQWAVMGZXAH-OAHLLOKOSA-N 498.557 2.394 10 20 JECD C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O 857491319 UDZMCOBJPWYNKG-CQSZACIVSA-N 467.569 2.137 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)c2C)cc1C 914656563 UOIDHPJUWQNRAF-TZIWHRDSSA-N 486.590 2.472 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 915744361 ASVHKHCETAONAE-UHFFFAOYSA-N 455.515 2.179 10 20 JECD CCOC(=O)NCc1ccc(S(=O)(=O)NC(=O)c2ccc(NC(=O)C3=S=CC=C3)cc2)cc1 916174425 GIYVRWZKCYDMBU-UHFFFAOYSA-N 487.559 2.268 10 20 JECD C[C@H]1CN(c2ccc(CNc3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)cc2F)C[C@H](C)O1 917087318 YCOBCHMWUBFJQA-ROUUACIJSA-N 477.606 2.383 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)cc2)C1 917834210 ZFBJQMUZZIBESZ-CTNGQTDRSA-N 490.560 2.093 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(N4C(=O)CN(C)C4=O)c3)cc2F)C[C@H](C)O1 918287734 SALLZQABALSRAJ-HOTGVXAUSA-N 497.527 2.093 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 918308320 KPBWMZALVWZZON-UHFFFAOYSA-N 488.610 2.151 10 20 JECD Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 919806074 KQUSKELCLYBZJK-UHFFFAOYSA-N 456.318 2.203 10 20 JECD COc1ccc(F)cc1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777850429 BURKBSKVVSUABN-NTKDMRAZSA-N 473.501 2.011 10 20 JECD CSc1ncccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1779910484 NEBIHAXHELMDTG-OPAMFIHVSA-N 458.540 2.051 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3cccc(F)c3)C2)C1 1780604247 PUZTUSMEGOWVIA-DEOSSOPVSA-N 450.470 2.062 10 20 JECD CCC[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)n1cccc1 1785508857 KPTBDAXKTSCJFU-DHPHSAMYSA-N 469.538 2.489 10 20 JECD Cc1cnc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C[C@@H]43)cnn2c1 1788337963 BMDDWHQSVJZDEH-AXHNFQJDSA-N 485.928 2.009 10 20 JECD COc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)c(F)c1 1790242007 DZISZFSSCJEAPD-MIUNTBIASA-N 479.892 2.201 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccccc3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243454 NTBFEMXKUPZRFD-QHERXFFYSA-N 460.914 2.078 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)C1CCC(F)(F)CC1 1793161730 VKNRVGPMTKBFKL-QAHNQGDTSA-N 466.481 2.232 10 20 JECD CN(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2)c1ccccc1Cl 1801407852 RIOQBZHASMIIGN-IGMJJTELSA-N 495.070 2.441 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC(=O)C1 1804157312 ICKOPBGBLRVWHN-XAPVIXHLSA-N 484.597 2.322 10 20 JECD O=C(CCc1ccc(F)nc1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804442335 OKLWFRGSWFCMCW-HXOBKFHXSA-N 465.485 2.374 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)CCc3ccc(F)nc3)C2)CC1 1806961456 ZOMKRLUNZSMMRY-UHFFFAOYSA-N 478.615 2.245 10 20 JECD Cc1c(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)cnn1C 1808664484 OIAQTRJJNCYPOT-FNORWQNLSA-N 454.527 2.404 10 20 JECD O=C(CCN1CCOC1=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1809535675 SQUSHLCQVGTODI-QRWLVFNGSA-N 488.928 2.308 10 20 JECD CC(C)n1nccc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810890744 MKZLUIDZEMHTFO-IERDGZPVSA-N 450.499 2.299 10 20 JECD C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1813469319 HOYUXSSLUIHNJD-KUDFPVQQSA-N 486.619 2.420 10 20 JECD CC(C)(C)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1814888280 YPXZGQPCOLKHMW-CQSZACIVSA-N 468.583 2.236 10 20 JECD Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cn1 1816373869 PLVQQIISETWUMV-HNNXBMFYSA-N 458.569 2.279 10 20 JECD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)ncc1[N+](=O)[O-] 1816725799 PFVXHZIOMDISTH-NSHDSACASA-N 470.467 2.101 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3noc4c3CCCC4)sc2C1)c1cc(O)nc(O)c1 1816759201 JCLBUOYUYJGABH-NSHDSACASA-N 455.496 2.356 10 20 JECD CC(C)(O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146337 CENCWGDPTNMFMS-GOSISDBHSA-N 452.515 2.356 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cnnc4ccccc34)sc2C1 1818188984 DTRGHKQWEVWXLT-LLVKDONJSA-N 498.615 2.172 10 20 JECD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821290905 DXWWAFHDRWJUPO-NHYWBVRUSA-N 499.977 2.108 10 20 JECD Cc1cncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c1 1823496643 NQZYVMCPDVFYFD-OAHLLOKOSA-N 458.569 2.279 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccnn23)CC1 1830845982 JHSFVZWVIKKPEC-GOSISDBHSA-N 485.635 2.428 10 20 JECD O=C(/C=C/c1ccccc1)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1834523703 ABMLJRMFSJFJTH-VOTSOKGWSA-N 486.663 2.132 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCCSC3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134028 WLMYITIXXWDAAS-LJQANCHMSA-N 497.665 2.494 10 20 JECD O=C(CC1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431745 KPWDNZOXDSDDTF-JOCHJYFZSA-N 452.935 2.402 10 20 JECD CCc1nc2ccc(Cl)cn2c1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249992 YUPUYAMUVKFTCB-UHFFFAOYSA-N 455.902 2.487 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1F 1847981027 XTEFBXJMALZHQR-WKULXVSPSA-N 477.533 2.093 10 20 JECD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 10907707 FJEBITNKHYVBFY-UHFFFAOYSA-N 476.599 2.187 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 21958408 NAVBXSNUOUYQJN-UHFFFAOYSA-N 473.537 2.276 10 20 JECD CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 726604231 YZDMBNRIKSPSDV-OAHLLOKOSA-N 461.531 2.366 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C)cc3OC[C@H]3CCCO3)CC2)cc1 743433046 VLWQIGZDLXXQMG-HSZRJFAPSA-N 496.608 2.438 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)cc1F 747011531 BCCHAUFOCSURJQ-UHFFFAOYSA-N 464.563 2.365 10 20 JECD CCCC(=O)N1CCC[C@@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 748377998 UDHOQEGHIXWZLF-HXUWFJFHSA-N 475.567 2.259 10 20 JECD O=C(COC(=O)CN1C(=O)COc2ccccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O 806905786 XCYXBAZEIYCHSB-UHFFFAOYSA-N 470.437 2.369 10 20 JECD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 917386859 KEAIUCLKZKNBMS-UHFFFAOYSA-N 461.609 2.427 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1OCC(=O)NC1CC1 918439114 SHJICIOOIBTDIL-UHFFFAOYSA-N 498.605 2.161 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)COc3ccc(Br)cc3C=O)nc12 919167595 TVQPGCPHXKTNBR-UHFFFAOYSA-N 478.255 2.309 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CN3CCCCCCC3=O)cc2F)C[C@@H](C)O1 919309502 XLKOLUZQDXOXDH-QZTJIDSGSA-N 463.550 2.391 10 20 JECD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccccc1S(=O)(=O)C(F)(F)F 920013928 KTGUUARNCMMNJP-UHFFFAOYSA-N 462.471 2.467 10 20 JECD O=C(c1ccc2nccn2c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005614 RDUGDWZVGOVTAY-JOCHJYFZSA-N 456.886 2.156 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)c21 1782007025 GVEJLRZAHIEMKH-QHCPKHFHSA-N 486.912 2.101 10 20 JECD CC(C)c1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1785547206 UBJMNRMORBQFBO-QHCPKHFHSA-N 475.636 2.043 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Br)ccc3F)C[C@@H]21)c1cc(O)nc(O)c1 1787291682 AWQWDHPUSMBZMJ-KCTSRDHCSA-N 494.317 2.302 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC4(CCC4)C3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787541337 FSXOQAOPSSTRQK-XJABCFGWSA-N 464.566 2.339 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1cc(Cl)ccn1 1788849404 OKLOTEQOPHNHPL-XERREHJYSA-N 481.940 2.121 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c(C)n1C 1792218373 XCFIMAHERMELSI-JSFTZJQYSA-N 469.538 2.065 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3ccc(O)cn3)CCC2)cc1 1792314106 ZTNPBYHAXVOGPD-UHFFFAOYSA-N 456.549 2.395 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1ccc(Cl)c(Cl)c1 1798882732 JTGJBQWSVOKLRR-DPIQGUFMSA-N 488.418 2.057 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@@H]1CCc2ccccc2O1 1800955589 VPSWRMMDGZRXGN-GQSCTRQFSA-N 472.925 2.348 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccc1C(F)(F)F)C2 1802080246 IWAHNVPGOWJZET-SKBGBOCVSA-N 493.438 2.134 10 20 JECD Cn1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c(C(F)(F)F)c1 1804333845 VANVPZAZAHYFEZ-ZSBIGDGJSA-N 474.530 2.156 10 20 JECD Cc1noc(C)c1CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804603248 CZRDXWNMXVXWMW-UZUQRXQVSA-N 465.510 2.445 10 20 JECD O=C(Cn1cc(Cl)cn1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1807409959 ANBNTUSHNPAVPL-YEUXVMMMSA-N 497.939 2.468 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c2n1 1807995822 UUVHOZRRTQMFII-CMJOXMDJSA-N 488.504 2.406 10 20 JECD Cc1nn(C)cc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808463566 DBFNIPIJYHHUTJ-CYFREDJKSA-N 485.548 2.236 10 20 JECD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cn1 1808463700 FGYVWYQKHFZAIX-YADARESESA-N 483.532 2.293 10 20 JECD Cc1oncc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808467527 HHFZLYIXBYLZGC-WZONZLPQSA-N 472.505 2.491 10 20 JECD CC(C)(C)NCC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808468514 RWVKSJIFQNURMT-CYFREDJKSA-N 476.581 2.268 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2ccc(O)cn2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470196 UBARCUGCTLOEPQ-AFMDSPMNSA-N 498.543 2.224 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811799095 VBICCHAOBNSCRV-YWZLYKJASA-N 468.897 2.413 10 20 JECD O=C(O)CSCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1813087949 YQSOVVAUCQFHOM-ORAYPTAESA-N 479.942 2.284 10 20 JECD CC(C)(C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccn1 1813282994 GWNYQJRVYWALGA-DYESRHJHSA-N 497.646 2.321 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)n1ccnc1 1814161121 BSGOXFLHDRSEOQ-LREZLTPESA-N 477.521 2.375 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CC(F)(F)C(=O)O)[C@@H]1c1cccnc1 1814163682 IEDFPRWHARFMAE-CVCWVKEYSA-N 491.447 2.028 10 20 JECD C[C@H](Cn1ccnc1)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814165080 BUVSXFVPIVZUKU-CMVSXKKRSA-N 491.548 2.450 10 20 JECD CN1CCC[C@H](C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)C1 1814167120 YDLSDDHSYZTKQE-PEYWDUKJSA-N 480.565 2.259 10 20 JECD Cc1nnc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)o1 1817536964 MSSNAXXGLOXQDS-PMGBHYCQSA-N 468.470 2.166 10 20 JECD CC(C)n1nccc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1820607900 MRZYGVUSELIHMJ-LLVKDONJSA-N 478.625 2.007 10 20 JECD C[C@H](Oc1ccccn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822783635 VGDIYWWOWYLYLC-DZGCQCFKSA-N 488.595 2.125 10 20 JECD CC(C)(C)OCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823496103 DNDBMCPCKCOFDH-CYBMUJFWSA-N 453.590 2.077 10 20 JECD Cc1ccnc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c1 1823498107 MURYJGSJASKLPA-HNNXBMFYSA-N 458.569 2.279 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823711338 ZZDJSSXXFIYIRI-ONGXEEELSA-N 464.931 2.124 10 20 JECD COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)n(C)n1 1825476305 XYVKXBZCKOMUHI-OAQYLSRUSA-N 492.580 2.455 10 20 JECD O=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)=NN1c1ccccc1 1827716471 OFWNANKDAPXJHV-DWLFOUALSA-N 452.555 2.170 10 20 JECD Cc1cccnc1CCC(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240383 SUICUGHJQWPIKQ-ZDUSSCGKSA-N 489.648 2.252 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)CCCc1ccncc1)CC2 1828240700 ZICMUUQOGQCAHV-AWEZNQCLSA-N 489.648 2.333 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828244633 MLLZRUIBRBMTSD-OCCSQVGLSA-N 489.648 2.416 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCSC1)CC2 1828248952 BVLACBPYYOJOEY-MNOVXSKESA-N 470.667 2.059 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)CCN2CCOC2=O)CC1 1828386799 SNYDAMRFAKYMNI-XZXOBPBMSA-N 487.553 2.279 10 20 JECD Cc1nc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cs1 1832896715 NNNXDUDOAWLMDX-QGZVFWFLSA-N 480.681 2.474 10 20 JECD C[C@H](Nc1nccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902438 MDPBZZPQUDCJCH-HOCLYGCPSA-N 495.696 2.424 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ncccc3F)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132794 OESJFZLYLSBTGI-UHFFFAOYSA-N 492.555 2.199 10 20 JECD CC1(C)CCC(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)CC1 1836418869 CDIHDXLFRXLZGI-DEOSSOPVSA-N 461.559 2.169 10 20 JECD O=C(/C=C/C1CCCCC1)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1839182645 JKRIRGACDLQERN-ZPIZUECNSA-N 494.592 2.372 10 20 JECD CC[C@@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348634 ZUUDHHYVFBKDRR-BVAGGSTKSA-N 468.598 2.162 10 20 JECD CCOc1cc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)ccc1OC(F)F 727176486 LEFWVOYAJITZOO-UKTHLTGXSA-N 452.526 2.437 10 20 JECD CNC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cn1 728679453 QXQMDMPEFVUQMJ-CYBMUJFWSA-N 457.442 2.401 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 748468175 BEQRMYIJTZVBBI-UHFFFAOYSA-N 474.508 2.017 10 20 JECD COc1ccc(C(=O)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1[N+](=O)[O-] 918140725 OQHXXKPXCNHSGA-GASCZTMLSA-N 474.489 2.402 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)cc2F)C[C@@H](C)O1 918286886 LRPHKVSISMIGHZ-QZTJIDSGSA-N 498.555 2.167 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 918436812 FDZQADONLJCYGB-UHFFFAOYSA-N 469.535 2.491 10 20 JECD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 918437532 JBTAZOITJWCNIR-UHFFFAOYSA-N 463.563 2.459 10 20 JECD O=C(OCC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 918850313 JTQZDLLOVASXPY-UHFFFAOYSA-N 480.904 2.353 10 20 JECD O=C(COC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 920694789 PPRMZMBDMLEPTJ-UHFFFAOYSA-N 497.463 2.416 10 20 JECD CC(C)CN1C(=O)/C(=C/Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C(=O)NC1=S 920978912 NZOZGFSKBVFCIH-QGOAFFKASA-N 464.613 2.446 10 20 JECD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781119186 CDOFSCKJNUZALM-UDBGPPTHSA-N 454.951 2.286 10 20 JECD CC(C)(C)c1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cn1 1785505140 CLAUBBSWGAGZBH-NHDFZSDJSA-N 482.537 2.048 10 20 JECD COc1cscc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785505962 VHCJHFUSIYUCEQ-YXMLYAQVSA-N 460.508 2.030 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4C)C[C@@H]32)cc1 1790126032 KRZMBWUUUOSCSE-BIHRQFPBSA-N 478.593 2.308 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790246315 WSPCHGXTCLUWMK-SDCOAXJVSA-N 497.976 2.258 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc(F)cnc1Cl 1798045145 KWXRRAGMFVTLSK-CULMDFNYSA-N 470.284 2.456 10 20 JECD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1C 1802078937 MTFGAWHCKOXWLU-HJGDSWMPSA-N 466.534 2.266 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1cccc(O)n1 1805670766 HOBPWSLTLXWCQQ-MHECFPHRSA-N 484.516 2.295 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)CCc3cn[nH]c3)C2)CC1 1807024698 NCGBPRZITXULHY-QPJJXVBHSA-N 454.527 2.404 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)COCc2ccccc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992518 BYFGHEACEJTLKP-CYFREDJKSA-N 462.506 2.424 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807996515 UJAXYVUIMLBCSN-UZUQRXQVSA-N 489.532 2.237 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccncc2O)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808467980 LXKSUOPWFZFPGK-HOYKHHGWSA-N 484.516 2.295 10 20 JECD Cc1nccn1CC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808469166 INMKSBAFBJCCEX-NLFFAJNJSA-N 485.548 2.085 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1812848801 CSPMAXDDGHRMPS-QCHBDQLXSA-N 499.527 2.117 10 20 JECD Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1814186768 WWPWTAJPXYOSCG-AUSIDOKSSA-N 482.631 2.499 10 20 JECD CC(C)Cc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)n(C)n1 1815996932 QAPBIJBPHADKPS-CYBMUJFWSA-N 470.555 2.421 10 20 JECD COc1nn(C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1816310672 AFGLJVKZCSOJGM-IBGZPJMESA-N 490.524 2.251 10 20 JECD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)n1cccc1C=O 1817484038 BQWLKPURCXKEKG-DYVFJYSZSA-N 452.471 2.397 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cc4cccnc4[nH]3)sc2C1 1819171496 DSERZCQLXONAAR-LLVKDONJSA-N 486.604 2.106 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(Br)CC2)n[nH]1 1820945806 VRIFWCPHEQTPOJ-NSHDSACASA-N 486.417 2.190 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)C(F)(F)c3ccco3)sc2C1 1824635154 COOYGQJLZLVFCX-VIFPVBQESA-N 486.547 2.300 10 20 JECD C[C@@H](Cc1ccco1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1826965143 BMBZIVUXPFDOJV-RYUDHWBXSA-N 478.621 2.387 10 20 JECD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)on1 1828194949 FIYLLHNXXCJPDD-QBODLPLBSA-N 456.480 2.496 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@]2(F)Cl)CC1 1831961981 FLJUTHRSNXYZPM-TYILLQQXSA-N 462.012 2.391 10 20 JECD O=C(Cc1cnccn1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832874459 ARZSZOJKACJTLK-CYXJOQHWSA-N 466.538 2.469 10 20 JECD CC(C)(C)OCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896915 TWZXUGXPIFOZAN-MRXNPFEDSA-N 455.646 2.282 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)C1 1843251128 YOQRUWGBGIMBEQ-DOTOQJQBSA-N 474.558 2.393 10 20 JECD Cc1occ(C(F)(F)F)c1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054425 POWLPJMTRDQQBX-UHFFFAOYSA-N 461.487 2.284 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c1 730591480 NVIUMTOJJXVXQT-UHFFFAOYSA-N 466.991 2.359 10 20 JECD CC(=O)N1C[C@H](C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)Oc2ccccc21 918895806 FSTGIILULNICNT-XVTZWQNCSA-N 499.539 2.413 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncoc4c3)C2)C1 1778010601 YCHBGDKRPVPMRC-FBUBFAHDSA-N 465.462 2.102 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782006978 DMRWEYHIHCYRJX-IBGZPJMESA-N 488.850 2.261 10 20 JECD O=C(Cn1cnc2ccccc21)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008720 IOKVIUXUYYDNIM-HSZRJFAPSA-N 470.913 2.245 10 20 JECD C[C@H](Cc1ccccc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1782367754 ZJEXSGMQRWAGAW-ROMRWMGNSA-N 489.663 2.239 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@H]1CCc2nc[nH]c2C1 1782458270 JFQRMAHCVDHRLS-KVGGTASHSA-N 488.972 2.407 10 20 JECD Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1F 1785504092 WZYJEFVITHJCNX-YFTVHVBSSA-N 456.470 2.408 10 20 JECD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(C)c1 1785509985 KHCAXHZOYOPURI-HATBAZKYSA-N 468.506 2.277 10 20 JECD Cc1c(F)ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1N 1787539121 QTTOCWIWTXSJGG-BPXKWBHBSA-N 493.539 2.103 10 20 JECD Cc1ccccc1NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787539147 TZZFHRUFQGNHBY-PTLVVNQVSA-N 489.576 2.180 10 20 JECD CC(=O)c1cc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)n[nH]1 1792314125 VAZKEVDATAUZKX-UHFFFAOYSA-N 471.564 2.220 10 20 JECD C[C@H](NNc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796932050 HROMPHPWYRNRPO-BZNRXQDOSA-N 474.565 2.423 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1n[nH]c2ccc(F)cc12 1797480504 AYGMWGFNILYJAS-KSPBDQMDSA-N 474.876 2.284 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1cnsn1 1804997212 WRLACFNNYIVEFJ-HRAATJIYSA-N 475.534 2.046 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ncccn1 1805784948 URXMPMXHBOXUQN-XZOQHERRSA-N 461.478 2.021 10 20 JECD CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1807078568 JAFYXWQDKRHSCW-KKNSAXIMSA-N 468.554 2.291 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cccc2nc[nH]c12 1808007595 LRMKUNKLIDVTIU-VFNWGFHPSA-N 494.602 2.138 10 20 JECD CN(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1811919255 NVVYJNSPRCBKNS-PGRDOPGGSA-N 497.646 2.328 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2csnn2)[C@H]1c1cccnc1 1814162546 UCEXXVGTBFUIFR-ZIPBJVRUSA-N 467.507 2.083 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1nc(O)n2c1CCCC2 1819629933 TUZOZPZOQBWNOJ-AWEZNQCLSA-N 467.486 2.074 10 20 JECD O=C([C@@H]1CCOC1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717760 XGHWQFYARHLCIA-DENIHFKCSA-N 452.555 2.436 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1ccc(F)cc1)CC2 1828242214 FAZQZGRUDMRZAE-ZDUSSCGKSA-N 478.596 2.297 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)C2(Br)CC2)CC1 1830390721 LMMBTKBUBVATLV-AWEZNQCLSA-N 488.473 2.394 10 20 JECD Cn1nc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c2c1CCC2 1832902849 ZVQRRHXXCKFIHU-QGZVFWFLSA-N 489.667 2.002 10 20 JECD COc1ccccc1CCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833381104 OOCUVWMGROSRHL-UHFFFAOYSA-N 482.581 2.319 10 20 JECD C[C@H]1C[C@]1(C)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835133820 BIPZTBWGVYPVGQ-QYBDOPJKSA-N 465.598 2.397 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)ccc1F)CCO2 1838860062 KSIJLIFLNWAHAB-JOCHJYFZSA-N 482.867 2.413 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)cc1 1839348536 VJWYWBIEFIPQIO-RUZDIDTESA-N 499.637 2.181 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1O 1839432944 APQXQTNHWUUTOG-QHCPKHFHSA-N 476.913 2.149 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccoc34)C2)C1 1840881448 UJOQOFMZFYZBLE-UJWGQFCKSA-N 494.500 2.333 10 20 JECD CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1841219083 RMUNFTTUCKFFRK-LJQANCHMSA-N 482.537 2.405 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)c1cocn1)C2 1844251596 JYHJLTDTXZTEBY-MRXNPFEDSA-N 486.525 2.039 10 20 JECD COc1cc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc([N+](=O)[O-])c1OC 1845552659 MZXZTOCVOXZBQD-FNORWQNLSA-N 499.476 2.259 10 20 JECD O=C(Cc1c(F)cccc1Cl)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847051334 SQNYMHYFCZSTIV-UHFFFAOYSA-N 455.964 2.085 10 20 JECD Nc1c(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)ccc2c1C(=O)c1ccccc1C2=O 14071530 KKSAFWIJFZVROE-UHFFFAOYSA-N 476.466 2.046 10 20 JECD CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1=O 25071356 SFMPHAHTBWVPAQ-VWLOTQADSA-N 466.538 2.210 10 20 JECD COc1ccc(N2CCCN(C(=O)C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)CC2)cc1 108431867 OPPKVXZBYDXRRK-UHFFFAOYSA-N 476.599 2.440 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(N2CCCC2)nn1 727852403 WBSSVBQNKITNPE-UHFFFAOYSA-N 462.533 2.263 10 20 JECD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N[C@H](C)c2cc(OC)ccc2O)CC1 729047882 PIEOFRTVZQNTNY-OAHLLOKOSA-N 450.536 2.278 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1 749030824 RYVXVPZQUZMNLA-UHFFFAOYSA-N 451.571 2.489 10 20 JECD C[C@@H](OC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 750000293 GQIIASFUQASPRZ-KGLIPLIRSA-N 455.488 2.157 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccccc3OCc3noc(C)n3)CC2)cc1 825348823 FNLAYTMPVSZVJF-UHFFFAOYSA-N 466.494 2.471 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(CCNS(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1 917712676 QGADDJQZZUITTD-CALCHBBNSA-N 463.575 2.461 10 20 JECD C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)C1 918219299 IBXNKQYTGNQLCD-WOJBJXKFSA-N 489.636 2.119 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3-n3cncn3)cc2F)C[C@@H](C)O1 918287295 OYLFINWOYYWRIM-HZPDHXFCSA-N 452.490 2.275 10 20 JECD CCOC1CCN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CC1 918738376 ACURSVFRLSXVGN-XDHOZWIPSA-N 477.608 2.234 10 20 JECD O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919728997 BIELWUHUTUDVNS-UHFFFAOYSA-N 472.502 2.329 10 20 JECD CCc1ccccc1Nc1nc(N)nc(COC(=O)c2cc(NS(C)(=O)=O)ccc2O)n1 920637019 VRDACXAYBBMVQK-UHFFFAOYSA-N 458.500 2.194 10 20 JECD COc1cccc2[nH]cc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)c4cc(O)nc(O)c4)C3)c12 1777851001 QNYQEAPNTOKKKF-KBMIEXCESA-N 480.521 2.424 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1782007369 DSUGQSNEORPPBJ-DEOSSOPVSA-N 497.939 2.398 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)cc1O 1782136173 VZVNQYFREJEMOZ-HSZRJFAPSA-N 489.912 2.173 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cncs1)C2 1783220196 UMTRKRUHVHTJEU-SUROQQEJSA-N 459.524 2.101 10 20 JECD C[C@H](Cc1ccc(F)cc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787294476 SPOLYOPQZOUUIZ-VTCANLHHSA-N 457.502 2.104 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Br)cn1)c1cc(O)nc(O)c1 1794441469 KAIQQIVEAPZJDO-MUJYYYPQSA-N 461.316 2.145 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479269 LPTNXMZTFWAIRI-ARMDJMIXSA-N 490.535 2.312 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccoc1C(F)(F)F 1796553292 XIADTWFYNLEMJA-ZAHULMEISA-N 482.411 2.332 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2cc[nH]n2)cc1 1800616620 MPEBPEVOBLLPOE-BJWYYQGGSA-N 469.592 2.189 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccnn2c1)C1=NN(c2ccccc2)C(=O)C1 1801059310 NZBUOLAFNJDMOR-ZHPFXUNLSA-N 456.506 2.379 10 20 JECD COc1cncc(CCC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1804485593 UIOROROYJOCPRB-KOSHJBKYSA-N 477.521 2.244 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2cnccn2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468885 GFAXOEZIMYQLIX-DBIIFKSOSA-N 495.543 2.384 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2nccnc2c1 1809378607 PWYCOFMUBTWETQ-SBUREZEXSA-N 470.489 2.464 10 20 JECD O=C(CCc1cccc(O)c1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1813184489 KFNUWKUJWGFAQJ-FDDCHVKYSA-N 498.630 2.286 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CC[C@H](N)C(N)=O)sc3C2)cc1 1815067084 UPCVDYCPQXVIQL-MJGOQNOKSA-N 494.621 2.369 10 20 JECD C[C@H](Nc1nccs1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816724734 DYBLUUWPZQDIMJ-GXSJLCMTSA-N 460.541 2.132 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)c3ccnc4c3OCO4)sc2C1 1821236049 DDGFZNRNBPETHZ-QSLRECBCSA-N 496.501 2.323 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc(F)c[nH]1 1822241070 JVINFFIJHWBSAU-CYBMUJFWSA-N 450.521 2.043 10 20 JECD C/C(=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)C(=O)O 1823411946 BTSUBWDIXUATBF-DEQJRXDXSA-N 464.482 2.226 10 20 JECD COCCn1nccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823475081 KZHAYVVKGTXOBJ-DBWMJRBXSA-N 496.524 2.389 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)C1CCSCC1 1823548299 FAFVWENNFKSXDZ-CQSZACIVSA-N 467.642 2.405 10 20 JECD COc1cccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1 1828242550 MJYNUDQGWYZXBW-CYBMUJFWSA-N 490.632 2.167 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccn(C(F)F)n2)CC1 1829319268 JRXXUENNXJVIQJ-OAHLLOKOSA-N 485.582 2.372 10 20 JECD O=C(CCOc1ccccc1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1834425223 JAGWROBEUSPNCS-UHFFFAOYSA-N 468.554 2.147 10 20 JECD O=C(/C=C/c1cccs1)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1835965540 KQOVNAYUMSWNJH-DRUWVYPFSA-N 494.573 2.011 10 20 JECD CSc1ncccc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1836034998 DDTVWUXJLHNMSJ-UHFFFAOYSA-N 471.583 2.109 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cccc4nc[nH]c34)CC2)CC1 1838031539 MYAKNKYNLFUFQL-UHFFFAOYSA-N 465.510 2.295 10 20 JECD CC(=O)C[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838111962 YINLBIYOXMQDCB-SFHVURJKSA-N 482.581 2.393 10 20 JECD O=C(c1ccc(Br)cc1F)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847050609 IPCKDIISJPRONG-UHFFFAOYSA-N 486.388 2.266 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCc3ccc(S(C)(=O)=O)cc3)CC2)cc1 916197443 ZTXUHCPHJHIDMT-UHFFFAOYSA-N 460.600 2.110 10 20 JECD C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 918221286 UJZVFWJMLBTXHI-IBGZPJMESA-N 475.609 2.015 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CCCN3c3ncccn3)cc2F)C[C@@H](C)O1 919061711 AFTWZTMOTAQBKN-LLGFUMIMSA-N 471.533 2.058 10 20 JECD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919970815 ZLSRIVWRCZNXOM-QGZVFWFLSA-N 494.545 2.456 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccc(N2CCOCC2)cc1 920923541 RPQYQNMTACPLMD-QGZVFWFLSA-N 464.522 2.383 10 20 JECD COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c1 921063166 CEFHVXCQKPCTMD-RMKNXTFCSA-N 476.551 2.205 10 20 JECD COCc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1780048648 SFBJQJADEUHTNY-ATIYNZHBSA-N 493.564 2.082 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)C2)cc1 1781755254 JERNCQVFPVMAFO-CLJLJLNGSA-N 483.565 2.153 10 20 JECD Cc1nc(C)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)o1 1783221869 OOHCFVJJELFNCU-BUTSGQJWSA-N 471.510 2.249 10 20 JECD COc1cc(C)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1 1790002477 MNMPXZMABUPKSN-VLSQUYHSSA-N 482.533 2.427 10 20 JECD CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 1790124377 UBOZRTVNIMEJCC-PMVMPFDFSA-N 487.622 2.122 10 20 JECD Cc1ccn2c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=C/c5ccc(O)c(O)c5O)[C@H]4C3)cnc2c1 1792217710 GXWPTIQRDNMJFR-QINRJMKKSA-N 492.532 2.066 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccccc2)CCC1 1800915231 YNVNFLYEVVXJQH-NXKWYNOOSA-N 486.572 2.491 10 20 JECD Cc1cc(C)c(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c(C)c1 1802078901 MIFRVBFBDWGPEZ-CUKIBGOQSA-N 496.560 2.410 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-c3ccccc3)cc1)C2 1802107187 AZPLNTSWZLKEMQ-JHDGKUDLSA-N 495.626 2.417 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)[C@H]1ON=C(c2ccccc2)O1 1804285653 GEAUHOGLYATZQJ-MBEWRISNSA-N 479.489 2.190 10 20 JECD O=C(CC1(O)CCC1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813639431 MMLPFMHSXBOJIX-OPWPMMOYSA-N 467.522 2.223 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817846371 UKOPDGOAHPRUPW-XJKSGUPXSA-N 451.487 2.417 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)COc2ccccc2)[nH]n1 1823496168 HPIKKINTYPNMCB-INIZCTEOSA-N 473.580 2.341 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)C2(Br)CC2)[nH]n1 1823499815 ZDTZSSWWWXLEPJ-NSHDSACASA-N 486.417 2.190 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)C2CCSCC2)[nH]n1 1823500973 LAYOQFOMCPUHFR-CQSZACIVSA-N 467.642 2.405 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)n1 1825413503 NHKAPUPEDLNMGH-IBGZPJMESA-N 467.526 2.393 10 20 JECD O=C(c1cnc2snnc2c1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428163 KJRMRROLOPRABZ-QGZVFWFLSA-N 468.539 2.440 10 20 JECD CC(C)(C)OC(=O)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429095 GMKHENHFPCTGKB-QGZVFWFLSA-N 462.547 2.251 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)CSc1ccncc1)CC2 1828239722 DYPRYZGEEXLJOW-LLVKDONJSA-N 493.661 2.103 10 20 JECD CC(C)n1nccc1C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828244837 SQKNTYFBLPOZFS-NSHDSACASA-N 478.625 2.007 10 20 JECD O=C(CCn1ccnn1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832882860 TXBPBFORWUPTNW-WSSFADSRSA-N 469.542 2.118 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)[C@H]1CCCO1 1834902918 RIWUGIVBRNMNEC-LJQANCHMSA-N 451.951 2.115 10 20 JECD Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834987976 DFTPMFJKOCXCER-UHFFFAOYSA-N 452.555 2.229 10 20 JECD Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)c1 1836202018 GIFCRJMXVUDUFC-MHZLTWQESA-N 491.592 2.369 10 20 JECD Cc1ccc(O)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1838893797 QMOIVWHHQMDAFF-QHCPKHFHSA-N 476.913 2.149 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC=CCC3)C2)C1 1839433854 XAKMANYEBMXBCC-NYHFZMIOSA-N 450.919 2.178 10 20 JECD Cc1ncc(C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)[nH]1 1843330560 GKQIBBRUFDXXLD-LJQANCHMSA-N 482.585 2.253 10 20 JECD O=C(Nc1ccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)cc1)c1ccco1 1845555087 ZFGPFQARIMCTHT-UHFFFAOYSA-N 498.586 2.209 10 20 JECD COC(=O)[C@@H](F)C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)=C1C(=O)NC(=S)NC1=O 9769678 DYLKUEIFUQLFCX-HNNXBMFYSA-N 475.885 2.279 10 20 JECD COc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc(OC)c1OCC(N)=O 108286111 MQEJDFSFLYKXSD-GASCZTMLSA-N 475.517 2.251 10 20 JECD CN(C)S(=O)(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)n2)cc1 727248817 ZAVYYYGZQIPJBZ-UHFFFAOYSA-N 494.576 2.306 10 20 JECD O=C(C[C@H](c1ccccc1)N1CCOC1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 728268299 LGEWRWNUKHRXFD-OAQYLSRUSA-N 457.552 2.121 10 20 JECD O=C(OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1N=Nc1ccc(O)cc1 821076606 IXISHWGVSLIFDQ-GOSISDBHSA-N 486.550 2.296 10 20 JECD Cc1ccccc1[C@H]1C(=O)NCCN1CC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 863948866 RPRMDFQEJPFRAH-DEOSSOPVSA-N 480.590 2.406 10 20 JECD COCCNS(=O)(=O)c1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 916649052 HLOCXZAIPWRAOF-HXUWFJFHSA-N 477.583 2.208 10 20 JECD O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCCc1ccc(O)c(O)c1 917355962 PDYDZIQBPNENDP-UHFFFAOYSA-N 452.838 2.407 10 20 JECD CC(C)NS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1F 917834306 IHYKFNUTSLFSMQ-GOSISDBHSA-N 476.574 2.144 10 20 JECD COC(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 918287067 NRWHNEBPRSCALG-HOTGVXAUSA-N 473.501 2.246 10 20 JECD COc1ccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(OC)c1OC 918858857 QFGYUAJZRLAQQI-UHFFFAOYSA-N 462.474 2.161 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCCNC(=O)c3ccc(F)cc3)CC2)cc1 919916683 QTHZEXAVSSFAQO-UHFFFAOYSA-N 457.550 2.076 10 20 JECD Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(OCC(=O)N(C)C)c1 920190078 TXRGFGLLPRXJCI-IBGZPJMESA-N 469.538 2.314 10 20 JECD COc1ccc(N2CCCN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 920437928 PDJUNYOSCGNPNU-UHFFFAOYSA-N 462.528 2.011 10 20 JECD Cc1cc(C)n(-c2ccc(NC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cn2)n1 920939574 KCMWLJANFLSSLF-UHFFFAOYSA-N 454.556 2.441 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NCC(=O)N1CCCC1 1326361403 CLONZIBCLRSEIP-NTEUORMPSA-N 468.398 2.389 10 20 JECD O=C(Cc1ccc2c(c1)CCCO2)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1778852411 UEGQFCJVRZSPRI-QFQXNSOFSA-N 481.549 2.188 10 20 JECD CC[S@](=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781122044 JGSFUDXZSUWATF-CMUXQDGESA-N 472.991 2.037 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C2)C1 1781880882 HCMJLXZRDDASCL-MHZLTWQESA-N 498.543 2.313 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc(Cl)nc3n[nH]cc13)CCO2 1782000933 FYKNORYBCVTUAU-OAQYLSRUSA-N 492.319 2.433 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C23CC(C2)C3)C1 1782786223 YMHSVKQCJPJZEJ-CMQHTNBLSA-N 450.539 2.093 10 20 JECD O=C(/C=C/c1ccc(O)cc1Cl)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783774766 ACYVPDJNXKXFFZ-YSNSILARSA-N 459.886 2.009 10 20 JECD O=C(C[C@H]1OCCc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1793275553 WJXQOTHGMKZJFC-LBMGYZMASA-N 494.544 2.110 10 20 JECD CC(=O)Nc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)n1 1796932716 VVOLJDVWJQOYJP-GGPHIMKMSA-N 474.521 2.085 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1cc(O)cc([N+](=O)[O-])c1 1804289860 XOKWVHWESDDTOC-KOTZLPFRSA-N 469.450 2.382 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccc2c[nH]nc12 1808057781 BDSQHHMTCJEFQR-OPAMFIHVSA-N 458.478 2.398 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3cnoc3C3CC3)C2)CC1 1808888593 VNVMHPYKMXUDRP-UHFFFAOYSA-N 462.597 2.257 10 20 JECD COc1cccnc1CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722256 VHSJRYLYHSYUHQ-ZDUSSCGKSA-N 469.523 2.212 10 20 JECD O=C(C[C@@H]1CNc2ccccc2O1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1819657242 MRXKZNBYMDDUSR-ZIAGYGMSSA-N 481.534 2.438 10 20 JECD C[C@H](Oc1ccccn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822775550 VOODVHSUNJXNHK-XJKSGUPXSA-N 452.471 2.384 10 20 JECD Cc1cnn([C@H](C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c1 1823500969 KWJRRDMJWYOYMJ-HIFRSBDPSA-N 475.600 2.028 10 20 JECD Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)no1 1826634738 SWGGUEXQAPACMJ-CQSZACIVSA-N 478.534 2.387 10 20 JECD O=C([C@@H](O)Cc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429436 KWTHPHLZUAGVNW-SFTDATJTSA-N 453.539 2.330 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cnn3ccccc23)CC1 1828075816 SSWTWTAKQMYWTR-SFHVURJKSA-N 485.635 2.428 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CCc3cnc4[nH]ccc4c3)CC2)CC1)c1cc(O)nc(O)c1 1834988433 SATPXKXXKDPYRG-UHFFFAOYSA-N 492.580 2.187 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccnn1-c1ccccc1 1835260101 KZOIZTZXFIUTBZ-UHFFFAOYSA-N 490.564 2.178 10 20 JECD CC(C)=CCCC(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1836380057 DUAQRMCSTNXWFG-UHFFFAOYSA-N 466.673 2.165 10 20 JECD O=C(c1ccc2c(Cl)ccnc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836419154 VMBSWHGKFYSBSE-XMMPIXPASA-N 498.923 2.078 10 20 JECD COc1cc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)ccc1Br 1843250642 VXXAGRLHYBAMJF-UHFFFAOYSA-N 462.300 2.395 10 20 JECD CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)C1 1846357267 CCDQTWKSYBVBJH-RDJZCZTQSA-N 474.558 2.393 10 20 JECD O=C(c1ncc(Cl)cc1Cl)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847050603 ICXOQDNECAORBK-UHFFFAOYSA-N 459.380 2.066 10 20 JECD Cc1oc2cc(O)ccc2c1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054220 JBRBKHVOTYFZJM-UHFFFAOYSA-N 459.549 2.124 10 20 JECD CCCCN(C(=O)COC(=O)c1ccc(C)c(O)c1O)c1c(O)nc(=O)n(Cc2ccccc2)c1N 727003651 BUXNWMJLAWMRJO-UHFFFAOYSA-N 496.520 2.289 10 20 JECD CCCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 728022264 OQGZKVACFJAPJI-LJQANCHMSA-N 458.584 2.470 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)c1 728981534 CGNFOUCTYWVTBT-CJNGLKHVSA-N 460.508 2.215 10 20 JECD C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 729598632 IEVJTNWEPZRSRC-XJUOHMSHSA-N 470.662 2.088 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3c(F)c(F)c(F)c(F)c3F)CC2)cc1 743442574 NUKZZRBJHMSVMX-UHFFFAOYSA-N 472.414 2.268 10 20 JECD CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(CN4CCC(C(N)=O)CC4)c3)ccc21 747017968 VGSPXKNGZBOGNI-UHFFFAOYSA-N 463.582 2.021 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 915264790 BXLFMUWQMFOKTD-UHFFFAOYSA-N 451.614 2.426 10 20 JECD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)ccc21 917381153 WVKVPQKQEMILKV-UHFFFAOYSA-N 476.455 2.495 10 20 JECD CCOc1ccc(N2C[C@H](C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2=O)cc1 917831831 AYMLZVJVVCVTRJ-WOJBJXKFSA-N 464.566 2.456 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 918220651 HYEMIWKFLRRQKJ-UHFFFAOYSA-N 458.494 2.122 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 918336997 ANGDVQIKCMOKRQ-KRWDZBQOSA-N 461.971 2.244 10 20 JECD O=C(OCC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1cccc2c1C(=O)c1ccccc1C2=O 918848465 CSESCTHLJVJJRW-UHFFFAOYSA-N 474.513 2.480 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)Cc3nnn(-c4ccc(C)cc4)c3C)nc12 919611172 XKIUGHKVVOAGGN-UHFFFAOYSA-N 450.455 2.095 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cccnc1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127303 DRLHXEYZRHOUEG-YIXXDRMTSA-N 489.576 2.321 10 20 JECD Cc1nc2ccncc2cc1C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1778437142 QERHKVHMOQDYPX-HHHXNRCGSA-N 498.543 2.175 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007881 ZRRWTPQOWSITNA-JLCFBVMHSA-N 460.918 2.090 10 20 JECD NC(=O)c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1782865709 OGUOPBAFLOMQOT-NTKDMRAZSA-N 487.940 2.291 10 20 JECD Cc1cc(C)cc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)c1 1792241974 NSXLBMVICBDSAQ-UFYCRDLUSA-N 489.663 2.076 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3ccc(=O)oc3)CCC2)cc1 1792313758 BTRJNKAHATULFS-UHFFFAOYSA-N 457.533 2.248 10 20 JECD COC(=O)C12CC(C(=O)NC3(c4ccc(NC(=O)CN5C(=O)CSC5=S)cc4)CCC3)(C1)C2 1792315977 JPEQMINMCWIDIX-UHFFFAOYSA-N 487.603 2.324 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796602565 QBLUZISTFOVMAJ-LVJQVDSHSA-N 486.569 2.392 10 20 JECD Cc1noc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 1799620491 NFIHPCMYFYNHOA-IRJINJETSA-N 463.538 2.231 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cn3c(F)cccc3n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999259 KADJQDKSUDDYFR-NYHFZMIOSA-N 476.468 2.308 10 20 JECD O=C(CN1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1814530761 FNXWLJSKXOFYGP-MRXNPFEDSA-N 480.594 2.334 10 20 JECD CC[S@](=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1819521887 IKIHTNOUOKYOEY-XYRWZPRYSA-N 479.580 2.044 10 20 JECD CCc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)n(C)n1 1820632681 CBXHCAZCOYOTCX-HNNXBMFYSA-N 491.577 2.458 10 20 JECD COC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823475505 TUNHWJZRNIJFBL-VFADXPBXSA-N 458.471 2.185 10 20 JECD COc1cnc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)cn1 1823476438 GBMPEMBQRGTBIR-BVBGJJFLSA-N 480.481 2.344 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823711337 ZZDJSSXXFIYIRI-MWLCHTKSSA-N 464.931 2.124 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2Cc3ccccc3CN2)CC1 1827570211 PHUIKCAEXLOWHB-FCHUYYIVSA-N 464.566 2.441 10 20 JECD Cc1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)cn1 1828195339 MHXNNFWCGBQKIU-LPZVBRGNSA-N 467.507 2.298 10 20 JECD Cc1nn(C)c(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)c1F 1828195554 PXUHFJHHERWAOI-GXWOQWCDSA-N 487.513 2.380 10 20 JECD CC(=O)N1CC[C@]2(C1)CN(C(=O)/C=C/c1ccc(O)c(O)c1O)CCN2C(=O)OCc1ccccc1 1829474439 PRNIPEJFGATRCP-QQOLHMHLSA-N 495.532 2.289 10 20 JECD O=C(CC(F)(F)F)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1834595873 UAHNTXOOGSECFT-UHFFFAOYSA-N 479.503 2.303 10 20 JECD CC1(C)CCC(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)CC1 1836418870 CDIHDXLFRXLZGI-XMMPIXPASA-N 461.559 2.169 10 20 JECD Cc1cnc(Cl)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1 1839431713 IICVETXYRNIRGL-JOCHJYFZSA-N 496.347 2.492 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)CCc2cn[nH]c2)C1 1842031831 YZLNKLNZGUKONZ-OAQYLSRUSA-N 496.612 2.264 10 20 JECD C[C@@H](C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1)[S@@](=O)c1ccccc1 1843442632 XCBSCJZZPFRCMO-USXNREEHSA-N 478.574 2.179 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CNC(=O)c1cccc(Br)c1 27085419 RRFVFQUEHLBNJZ-UHFFFAOYSA-N 462.344 2.447 10 20 JECD Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1nc(-c2cccc(-n3cnnn3)c2)cs1 727251336 RXFOCLBRGMSOEP-UHFFFAOYSA-N 476.565 2.299 10 20 JECD CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1F 727614100 IASYRWHTNKDLFI-UHFFFAOYSA-N 469.535 2.176 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CC[C@H]3NC(=O)N(c4cccc(C)c4)C3=O)CC2)cc1 730868652 MPIVLJBHCOYASA-JOCHJYFZSA-N 494.548 2.101 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(F)c(S(=O)(=O)NC(C)C)c3)CC2)cc1 914939392 RECGYIZYIBQBFK-UHFFFAOYSA-N 493.557 2.027 10 20 JECD COc1ccc(N2CCCN(CC(=O)NCCN3C(=O)S/C(=C/c4cccnc4)C3=O)CC2)cc1 917207779 IJWVJSPSVUIOIX-CJLVFECKSA-N 495.605 2.455 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 918309955 HRIOYXSUPZGYAT-UHFFFAOYSA-N 467.494 2.117 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(N4CCNC4=O)cc3)cc2F)C[C@@H](C)O1 919051123 WFUSSWYBFBODHP-IAGOWNOFSA-N 484.528 2.442 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)Nc1ccc(F)cc1 919799931 LPBSLDMRNALRRI-UHFFFAOYSA-N 452.465 2.336 10 20 JECD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 919805722 JLRGNDMPWHMJSG-CQSZACIVSA-N 469.585 2.285 10 20 JECD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919970814 ZLSRIVWRCZNXOM-KRWDZBQOSA-N 494.545 2.456 10 20 JECD CS(=O)(=O)N1CCC[C@H](NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 920292564 PMVQVKUBMTWMLM-WZMONFQBSA-N 473.667 2.270 10 20 JECD CSc1cc(C(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)ccc1NC(C)=O 920635593 IQPYESKAKFODTI-UHFFFAOYSA-N 452.510 2.484 10 20 JECD C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(N2CCOCC2)cc1 920868225 ANGZANZQUVHTTC-SFHVURJKSA-N 476.574 2.439 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(NC(=O)[C@@H](C)OC)c3)CC2)cc1 920923491 WNQKWFOIGRBGHG-QGZVFWFLSA-N 454.527 2.346 10 20 JECD COCCN1C(=O)/C(=C/Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)C(=O)NC1=S 920974792 ULWKCQWWKOKXSJ-SFQUDFHCSA-N 494.982 2.326 10 20 JECD CC(C)CN1C(=O)/C(=C/Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)C(=O)NC1=S 920979640 FPHBMCHBDJLXKQ-CLXYIWAZSA-N 464.613 2.302 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCN4CCOC4=O)C3)C2)cc1 1778159011 JRFUFMGNZOUIAD-SANMLTNESA-N 480.565 2.380 10 20 JECD Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(O)n1 1780144434 XQHOZVNMUCZEPJ-DVZPIYOVSA-N 483.521 2.053 10 20 JECD CC(C)Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)n(C)n1 1782002247 SXTUAUDKJWJTGF-QHCPKHFHSA-N 476.961 2.441 10 20 JECD Cc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1 1786535029 KYPVTGHUJMIRBJ-YIYMGJEGSA-N 466.534 2.347 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccn2ccnc2c1 1796934650 NRCQYBONRMZYOT-FNLKRUPLSA-N 456.506 2.379 10 20 JECD Cc1nc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)s1 1799767484 UIBDFJIOXLIZPP-YWVIFJGQSA-N 451.932 2.342 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)[C@@H]1CC(=O)N(C2CCCC2)C1 1804284011 WUROAMYNAZNIGZ-MQZCIPPSSA-N 483.565 2.246 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3c[nH]c4ncccc34)sc2C1 1818167617 KMAFLJUUHDCVBD-SNVBAGLBSA-N 486.604 2.106 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2nccnc2c1 1818492576 SMQLNPMXZKCCGK-CYBMUJFWSA-N 462.491 2.432 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1823357580 APQVBCPJLJJFRJ-OAHLLOKOSA-N 474.518 2.437 10 20 JECD C[C@]1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)CC1(F)F 1823501480 RFXCBGVTNIAEHG-APPDUMDISA-N 457.528 2.307 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)Cc2ncccn2)CC1 1825317404 KPNIWWIDVKBAEG-QFIPXVFZSA-N 474.565 2.432 10 20 JECD Cc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)o1 1827089471 BYVHVTPDSBZWOC-LLVKDONJSA-N 464.594 2.060 10 20 JECD CCOC(CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)OCC 1832014337 FRSOKGOIAYWXPU-QGZVFWFLSA-N 485.672 2.256 10 20 JECD Cn1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)n1 1832876212 FTWFBFUQHVYNGF-FNQPIQQGSA-N 454.527 2.484 10 20 JECD Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cn1 1832905008 CRIWANABGHAWPP-DEOSSOPVSA-N 489.956 2.157 10 20 JECD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)s1 1833423120 ABKAMAPDVQVTGO-NRFANRHFSA-N 482.942 2.205 10 20 JECD Cc1cncc(CCC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1833815338 BOLXSJNKZXRLCZ-UHFFFAOYSA-N 467.570 2.014 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1ccccn1 1834126292 DTHYUPHOOPJKNW-UHFFFAOYSA-N 474.565 2.060 10 20 JECD O=C(Cc1cccnc1)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837968961 SZFIXIGZSHAXOJ-UHFFFAOYSA-N 489.576 2.416 10 20 JECD Cc1cc(F)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1839285915 WSKXQGSVMZGZJY-CMEKQAILSA-N 486.496 2.034 10 20 JECD O=C(/C=C/c1cccc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433162 NLYQMBDAJZCVDQ-JVPDDCAZSA-N 488.924 2.240 10 20 JECD CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)c(F)c1 1847054322 HUHRWGCERVSMAS-UHFFFAOYSA-N 465.572 2.290 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(Cl)nc2F)=NN1c1ccccc1 1848287847 LAUQAKGETDUQBV-IRXDYDNUSA-N 455.877 2.482 10 20 JECD Cc1cc(C(=O)COC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(S(N)(=O)=O)cc1 11027189 FVBDTRBHMIHNJV-UHFFFAOYSA-N 487.490 2.455 10 20 JECD O=C(O)/C=C/c1ccc(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c([N+](=O)[O-])c1 39708207 MMYSCSOENCUDLB-FNORWQNLSA-N 475.508 2.208 10 20 JECD CCCN(Cc1ccccc1O)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 727170046 DSZZGVTUGHQHHD-UHFFFAOYSA-N 462.568 2.403 10 20 JECD C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 729598633 IEVJTNWEPZRSRC-XPNTWCBSSA-N 470.662 2.088 10 20 JECD CCN(CC)c1ccc(CNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1F 731345738 IDJPCLAEZGMEEG-UHFFFAOYSA-N 465.327 2.194 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3sccc3S(=O)(=O)N3CCOCC3)cc2F)C[C@H](C)O1 917714419 VZONAQPZTJTBTB-HOTGVXAUSA-N 497.614 2.452 10 20 JECD COc1cc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1OCC(=O)N(C)C 918216413 QBCFSNNBXWXMRN-UHFFFAOYSA-N 484.597 2.370 10 20 JECD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc2O1 918266563 QBVDEQVWASPKLY-JOCHJYFZSA-N 450.539 2.223 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)cc1 918434140 KAPYXHNMQFRHTO-UHFFFAOYSA-N 474.583 2.237 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)CC2)cc1 918462250 UUPUHQJXVAIQEE-UHFFFAOYSA-N 488.610 2.449 10 20 JECD CC(C)(CNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)C(N)=O 918601468 CDWLBDIXYDJZJU-KPKJPENVSA-N 456.387 2.278 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)nc12 918975614 JVEIUFIDVYELER-UHFFFAOYSA-N 455.427 2.477 10 20 JECD Cc1n[nH]cc1CCCNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919782289 HRMSCMYWADQBKN-UHFFFAOYSA-N 452.538 2.406 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H]2CCCN2S(C)(=O)=O)c(C)n1-c1ccc2c(c1)OCCO2 920431487 GRTGDQJAKCXQRF-GOSISDBHSA-N 462.524 2.015 10 20 JECD CCOC(=O)CCN(C)C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 920863363 KZQIGFACSRCEGU-UHFFFAOYSA-N 451.457 2.126 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1Cc2ccccc2O1 1778842937 OOGPIBDLYQCUGK-BCYPHHFESA-N 494.544 2.334 10 20 JECD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)N1CSCSC1 1779144331 CGXSQXHVHMGDOJ-RNODOKPDSA-N 488.031 2.238 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccncc3-c3ccccc3)C2)C1 1779854793 ZHBIIQAZBWITQU-RUZDIDTESA-N 460.490 2.312 10 20 JECD Cc1nn(C)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781119680 VRRWRKQFNGRDMM-XMSQKQJNSA-N 462.934 2.234 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1782265523 QZZXARJJGXXTNN-QHCPKHFHSA-N 484.896 2.157 10 20 JECD CN(C)c1ccc(CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)cc1 1782387191 WBMYVMQBJVPQLY-QFQXNSOFSA-N 482.581 2.319 10 20 JECD Cc1ncc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)s1 1782511196 VGEDVSFOGXPDLR-XHDSPZKDSA-N 487.578 2.338 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)[C@@H]1CCc2ccoc2C1 1784230439 JCCZJUFRWFUDAC-HGBASVHRSA-N 490.560 2.157 10 20 JECD O=C(CCCc1cccnc1)N1CC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1784671745 RYKMTKLUSSWAKJ-SANMLTNESA-N 475.549 2.027 10 20 JECD Cc1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1795308687 IUSGXCJXWNAZGG-VPTLXERWSA-N 460.914 2.342 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ncsc13)C2)C1=NN(c2ccccc2)C(=O)C1 1796480556 IVCBIXGUELQYKZ-MFKICJERSA-N 489.557 2.292 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccnc2nc1O)C1=NN(c2ccccc2)C(=O)C1 1800924620 UEMJLKJYKXUGRN-GGPHIMKMSA-N 484.516 2.380 10 20 JECD Cc1nc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cs1 1804516617 HAGZPEHQVHRXCT-YCRPNKLZSA-N 453.524 2.215 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1c[nH]c2nccc-2c1 1808082461 GSYZJMSSFOVANG-UZLBHIALSA-N 494.602 2.089 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)C3CCOCC3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1814182532 WDARDOUWTHQNSV-OAHLLOKOSA-N 467.551 2.275 10 20 JECD O=C(C[C@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815609546 NNDGKMAHHBHCIE-HIFRSBDPSA-N 465.601 2.221 10 20 JECD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)nn1C(F)F 1816727494 YMBZJHIAXUPTPR-SNVBAGLBSA-N 464.454 2.389 10 20 JECD Cc1nn(C)cc1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817363168 GIXKVBZLGVBPKW-CQSZACIVSA-N 477.550 2.204 10 20 JECD O=Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)s1 1817488495 YZDXWUIEZUSIKS-CYBMUJFWSA-N 477.593 2.450 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc4ccccn4n3)sc2C1)c1cc(O)nc(O)c1 1818074716 NHQXFVCPIXONSV-GFCCVEGCSA-N 450.480 2.137 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccc2ccnn12 1821402222 RICUBXZUHOHTQB-OAHLLOKOSA-N 483.579 2.224 10 20 JECD CC(=O)N(C)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476802 OSCRRGBNLDANSL-LKUPDRCFSA-N 471.514 2.100 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)COC1CCCCC1)CC2 1828241749 BSRMRGGFYVBCHL-LBPRGKRZSA-N 482.653 2.265 10 20 JECD CC[C@@H](C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1836891312 GBUOGUPQWDDDTQ-PZPVZQRNSA-N 476.570 2.222 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)cc1 1839348465 CAKZGFNGJRIVNM-HHHXNRCGSA-N 490.560 2.111 10 20 JECD Cc1ccccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1839943460 NBDSBXUGRIIGGF-HWOQGQEBSA-N 496.560 2.214 10 20 JECD O=C(COc1ccccc1F)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1839970311 PLVDZVXFDBIQQD-QHCPKHFHSA-N 494.903 2.039 10 20 JECD COc1cc(CC(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)ccc1[N+](=O)[O-] 1845148999 MNGKDOALHXGWML-VMPITWQZSA-N 483.477 2.180 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1846202775 HRYRAPCBSDNWGO-SYJIQKIWSA-N 487.553 2.420 10 20 JECD COc1cc(CCC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)ccn1 1847034051 XTGYIZHYCYFYCL-VMPITWQZSA-N 453.495 2.056 10 20 JECD O=C(/C=C/C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c(O)c(Cl)c1)NCc1ccccc1 1847541958 MRPYFVZTMKEJNR-FNYRVFDFSA-N 469.925 2.439 10 20 JECD CCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)ccc2c1=O 108451931 BOEYPYSGWJPGTA-HUUCEWRRSA-N 454.502 2.392 10 20 JECD COCCn1ccc(NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)n1 726079669 HERFYJTXQGUKPS-UHFFFAOYSA-N 454.510 2.107 10 20 JECD Cc1nn(C)c2ncc(S(=O)(=O)Nc3nc(-c4ccc(S(=O)(=O)N(C)C)cc4)cs3)cc12 727248448 QHKRBESXTIVYHV-UHFFFAOYSA-N 492.608 2.451 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)ccc21 728637549 NHDYARRVGFQQDK-SJLPKXTDSA-N 450.557 2.095 10 20 JECD CCOC(=O)C1CCN(C(=O)CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 728949594 TXLNSCXDMVCPLT-HDICACEKSA-N 492.592 2.382 10 20 JECD CN(C[C@@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1)C(=O)OC(C)(C)C 729474483 KXXOYQZQTRRWPB-IBGZPJMESA-N 464.582 2.467 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)CC2)cc1 748972191 VWQCWRBSCZWHEG-UHFFFAOYSA-N 472.611 2.095 10 20 JECD CN(C)CCCNS(=O)(=O)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)c([N+](=O)[O-])c1 917087384 WSEJLEMEZXLOGO-UHFFFAOYSA-N 495.577 2.413 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3ccccc3OC(F)F)cc2)C1 918371355 HBCWQRXFXDFWEM-INIZCTEOSA-N 460.481 2.036 10 20 JECD CCOc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1S(=O)(=O)N1CCCC1 918444291 ONFLXNYKWJUEHK-UHFFFAOYSA-N 461.540 2.173 10 20 JECD COc1ccc(N2CCCN(C(=O)CCNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 918705335 BUAMMHAYFDNSAG-UHFFFAOYSA-N 474.583 2.061 10 20 JECD O=C(COC(=O)CNC(=O)Cc1cccc2ccccc12)NCc1ccc(N2CCOCC2)c(F)c1 918885851 PFOZUSLGYKMXQX-UHFFFAOYSA-N 493.535 2.334 10 20 JECD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 920023115 CXJXBODLDBWXLC-PQCQUMGKSA-N 480.540 2.082 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(/C=C/C(=O)OC)cc(OC)c2OC)cc1 921019550 GLSYWNVKTNWTDE-IZZDOVSWSA-N 484.552 2.452 10 20 JECD CCSc1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785504946 GXJNQFUEEDDKBU-YFTVHVBSSA-N 485.562 2.467 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)n(C)n4)[C@H]3C2)cc1 1785591469 GMMHIELNFCNPGI-RRPUWOKSSA-N 477.565 2.440 10 20 JECD CN1CCN(C2(C(=O)Nc3ccc(C4(NC(=O)c5cc(O)nc(O)c5)CCC4)cc3)CC2)CC1 1790446925 XXEHOFXLAASKRM-UHFFFAOYSA-N 465.554 2.021 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cccc(O)c3)C[C@@H]21 1792217990 MMQFTDUSPUOZDN-IMXSISRCSA-N 480.517 2.215 10 20 JECD CC(C)(C)n1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)n1 1799767259 HLHAGZVMRPYTBQ-ZSBFGKGUSA-N 462.934 2.220 10 20 JECD Cc1ccc([C@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1800618892 GBTSKYONJQWOHU-MGPQRACWSA-N 474.561 2.481 10 20 JECD CC(C)OCC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1802654374 VOGQQPNFOXYYMQ-DVECYGJZSA-N 463.538 2.305 10 20 JECD O=C(Cc1cnccn1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1803299745 DKSKXLFBEICYEL-YCRPNKLZSA-N 467.913 2.499 10 20 JECD CC(C)(C)[C@H](O)C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1805443187 WYRXYFPSGHRADZ-OAQYLSRUSA-N 454.571 2.418 10 20 JECD O=C(CCC(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1)N1CCCC1 1806646914 HWKBMHHNIQBJQQ-UHFFFAOYSA-N 493.608 2.413 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3ncccc3[nH]2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999612 MQCOCKICEPPIAE-OYHNWAKOSA-N 458.478 2.398 10 20 JECD O=C(c1cccc(-n2cncn2)c1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810554162 DZTOPJUHIYNZAA-UHFFFAOYSA-N 462.510 2.232 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cnccn2)[C@H]1c1cccnc1 1814162287 IEGVULAXDPOANK-RKUWUGLRSA-N 461.478 2.021 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2)N1C[C@H]2C[C@@H]2C1 1819570001 SLWLSKONUUCLMG-QBPKDAKJSA-N 492.605 2.188 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCn2cncn2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821295182 HFRTYZASJHLUBZ-HNNXBMFYSA-N 459.894 2.462 10 20 JECD O=C(CC12CCCN1CCC2)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1822753231 FZFCIEQIXOSSPM-CQSZACIVSA-N 457.556 2.194 10 20 JECD COC(=O)CCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1826241263 PTMYMCGSFYCOBP-LBPRGKRZSA-N 498.652 2.039 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)Cc1ccc(F)c(F)c1)CC2 1828242684 SCGVSIGEULHHPC-LLVKDONJSA-N 496.586 2.436 10 20 JECD COc1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1 1828247185 NZUUKUSRSRHHRW-GFCCVEGCSA-N 476.605 2.238 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(F)(F)C1)CCO2 1829655569 HXQSFCNNKXPERX-ZUOKHONESA-N 474.888 2.257 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCOC2)CC1 1832376859 MQXIKDIDZPSTNP-UGKGYDQZSA-N 452.555 2.436 10 20 JECD O=C(O)c1cnncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877359 YHEIJPHNVDVXCT-XZXOBPBMSA-N 496.520 2.238 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cccn4nccc34)CC2)CC1 1838030187 DPJRFMSONXYNTP-UHFFFAOYSA-N 465.510 2.067 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)CC1 1838031523 LNCKRDIJVIOYGE-NRFANRHFSA-N 467.522 2.109 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3ccc(Cl)cn3)CC2)CC1 1838455905 USAFIENGWKKGHB-UHFFFAOYSA-N 497.042 2.208 10 20 JECD COC(=O)N[C@@H](C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccccc1 1841237859 SMSXYZPRBQTCJT-JOCHJYFZSA-N 489.532 2.080 10 20 JECD O=C(c1cnc2cc(C(F)(F)F)ccn12)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250853 VYSKSYDSHXPIMD-UHFFFAOYSA-N 461.400 2.290 10 20 JECD CCn1c(=O)c2ccccc2n(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1=O 105145932 HXJNJMLTDLEPFO-OAQYLSRUSA-N 464.566 2.457 10 20 JECD C[C@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C(=O)N1CCNC1=O 913359649 AFSQDKDYYWHBJC-CDDSVFCYSA-N 453.567 2.213 10 20 JECD CCCS(=O)(=O)c1ccccc1C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 915251567 JVKBHJVKFKNANX-UHFFFAOYSA-N 460.552 2.385 10 20 JECD O=C1CN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cc2Cl)CCN1 915778540 KTDVCJAHECADNN-UHFFFAOYSA-N 455.946 2.131 10 20 JECD O=C(COC(=O)Cc1cc(Cl)c2c(c1)OCCO2)NCc1ccc(N2CCOCC2)c(F)c1 919029182 FMSOZQVEBBXGMF-UHFFFAOYSA-N 478.904 2.489 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@@H]1CCCN(C(=O)C2CC2)C1 919699485 NNOHTFBWIQYKLE-HXUWFJFHSA-N 466.561 2.207 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)c1 919805530 YQZUKOQODKHYBG-BOPFTXTBSA-N 461.521 2.230 10 20 JECD CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(N2CCOCC2)cc1 919859595 BCDCEHSNQILNOV-NRFANRHFSA-N 494.013 2.026 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 920194233 ABEGGYROWDLFOX-UHFFFAOYSA-N 450.539 2.404 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1N1CCCCC1=O 920195542 UXWBCGHACKUGHG-UHFFFAOYSA-N 466.538 2.304 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cnccc1F 1777755512 LQEWKBCMGAQZNI-OFAFLBDBSA-N 471.485 2.178 10 20 JECD Cc1cccnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778126915 QICVYLYWDLLBNE-QFQXNSOFSA-N 475.549 2.310 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1ccc3[nH]ccc3n1)CCO2 1782005754 YXWNOUDUBNHPMW-JOCHJYFZSA-N 456.886 2.385 10 20 JECD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008264 XQONVMGGIXTGGT-MYYSRTQBSA-N 487.940 2.013 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)C2 1783245847 HWKBWMKTLCAYHM-ZVVFGRKBSA-N 487.647 2.164 10 20 JECD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1)c1cccs1 1784379537 WIXHAHRACJNWBZ-BXKMTCNYSA-N 466.563 2.474 10 20 JECD CC(C)COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)ccn1 1785506032 YFGNGYKLIXTKHE-JFAKYYBVSA-N 497.548 2.390 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1cccc3ccccc13)CCO2 1785539611 FCOWQMGQCLCLEK-QHCPKHFHSA-N 469.588 2.144 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)n(C)n2)cc1 1794326346 ULVXCYWXCQVMTB-BBIADKPPSA-N 463.538 2.050 10 20 JECD CC1(C)Cc2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)c2O1 1796263780 XZTBJTQJRFPHPI-JWMIDBARSA-N 494.544 2.434 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3=NN(c4ccccc4)C(=O)C3)c21 1796934666 OOMKYSVTDQXVCD-VBUUOAMHSA-N 486.532 2.324 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn[nH]c1 1797039319 QVFILWDSSJKEMG-RDGPPVDQSA-N 499.568 2.209 10 20 JECD CC1=CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CC1 1797128298 JKCLSDVESMLIEP-CROMWVBPSA-N 450.539 2.115 10 20 JECD C[C@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1801174921 ZJGBIWILEASIHZ-LGUJSHFDSA-N 466.534 2.285 10 20 JECD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc(OC)c1C 1802082333 FNRZLOXLAPQQEK-PGTXOHQNSA-N 498.532 2.046 10 20 JECD NC(=O)c1ncccc1C(=O)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1 1807382221 PVIFNQHSRKVJOP-UHFFFAOYSA-N 472.929 2.404 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807994041 MQKZQGGMJZRGDU-YHEJKZAPSA-N 462.510 2.103 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2)C1 1810543388 BPRYXSHNPJEHCU-HXUWFJFHSA-N 450.539 2.052 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cnccc1Cl 1810614989 CBGZERWDACTESB-KUHUBIRLSA-N 490.010 2.310 10 20 JECD CC(C)NCCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814163112 ZGJUCIVTLLFWJX-RLVMRWSYSA-N 468.554 2.306 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)n1cccn1 1814165536 HIOGCSADPFWRBA-OXFPBFHOSA-N 477.521 2.375 10 20 JECD O=C1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CN1 1821290695 AGSKSJJOUMEPNI-NHYWBVRUSA-N 461.906 2.306 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccnn3c2)[nH]n1 1823499608 PABGVMDEDYSTGU-MRXNPFEDSA-N 483.579 2.224 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)ncn2)[nH]n1 1823500140 RWGNSPBLNZVGAJ-GFCCVEGCSA-N 479.975 2.019 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])CC1 1827645738 IRZSZDBIGGWUSR-LJQANCHMSA-N 493.524 2.344 10 20 JECD COc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc1 1828247017 NCTXVQYCFGZHRG-GFCCVEGCSA-N 476.605 2.238 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)CNC(=O)C(F)(F)F)CC1 1831900272 MIRHRCVZDZHSBV-BIENSFFJSA-N 499.486 2.115 10 20 JECD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877140 VSJJVOFJOUIZLN-WSSFADSRSA-N 499.524 2.241 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCO2)CCO3)cc1 1836223246 NLMRVUPIYZCAJQ-BVAGGSTKSA-N 467.566 2.343 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)c3cocn3)CC2)CC1 1837567239 ZSMOIUBHGIKBBP-DUXPYHPUSA-N 457.483 2.117 10 20 JECD Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249149 BRRUOAXGCIGNDC-UHFFFAOYSA-N 471.514 2.309 10 20 JECD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 728839757 ZQJCYBLLZDHPRF-UHFFFAOYSA-N 498.527 2.078 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@H](CC(C)C)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)CC2)cc1 742916836 QBWRXWMXAAIEEU-VXNXHJTFSA-N 482.625 2.299 10 20 JECD O=C(COC(=O)c1ccnc(F)c1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 743189838 RUXXKXLWFKPWOB-PXNMLYILSA-N 489.506 2.124 10 20 JECD COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 746978059 GSYHEPJOTNBHAU-UHFFFAOYSA-N 496.561 2.104 10 20 JECD C[C@@H](CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)N1CCN(c2ccccc2)CC1 918007529 GANAPNBMEYGUDL-JTHBVZDNSA-N 478.641 2.398 10 20 JECD CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)sc(C)c1C 918464111 QSYOEKNWZTULCQ-KRWDZBQOSA-N 486.594 2.498 10 20 JECD Cc1nc2ncnn2c(C)c1CCC(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 918896519 OPWPAQAFDKVPAP-HOTGVXAUSA-N 498.559 2.286 10 20 JECD Cc1cc(NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)n(-c2ccc(F)cc2)n1 920637204 BIZDQARNHGOSKS-UHFFFAOYSA-N 462.459 2.192 10 20 JECD O=C(Nc1ccccc1CN1C(=O)CCC1=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 920786610 DEIOBJXSCRIERB-LJQANCHMSA-N 465.506 2.188 10 20 JECD COc1cccc(CC(=O)N2CCN(Cc3cc(C(C)=O)cc(CN4CCOCC4)c3O)CC2)c1 921056172 XWNWZGUFYOMSLE-UHFFFAOYSA-N 481.593 2.323 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3sccn3c1)C2)c1cc(O)nc(O)c1 1777848445 UOJWCIJCQPIKGF-OPAMFIHVSA-N 456.524 2.248 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)cc(O)n1 1783222589 ZRKRGDNRYPBJIG-NPRSQMDMSA-N 483.521 2.053 10 20 JECD COc1cccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)CCO3)c1C 1783636910 QTLRGYHWHAXKGS-HHHXNRCGSA-N 490.560 2.169 10 20 JECD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1785528286 YVGDIRAAFAYCMU-JOCHJYFZSA-N 493.875 2.485 10 20 JECD COc1nccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)c1F 1787139942 PEKQGBDAKKPMRJ-YLVFBTJISA-N 479.892 2.201 10 20 JECD C[C@H](Sc1cccs1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787293920 WRVBNPYMOCKEKD-SDADXPQNSA-N 463.581 2.328 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc2cc(F)ccc2[nH]1 1788269381 OVHHMXWGOLMNPH-UVIMBBFXSA-N 454.458 2.020 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3cc4n(n3)CCC4)cc2)CCC1 1789355525 CQPLNZNLFFDDSB-UHFFFAOYSA-N 469.592 2.437 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4nccn34)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790246069 ITYVPXUCRDWJCJ-RFUYNDQBSA-N 470.913 2.306 10 20 JECD CCn1nc(C(C)C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1798738771 HFTHMXBDEUSAQW-QUKZKKHZSA-N 484.553 2.060 10 20 JECD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c(OC)c1 1798822554 UWQQWUQHGPYJFU-VTEUUUEMSA-N 476.913 2.285 10 20 JECD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c(C)c1 1802080249 JFHKVLFKXLQTRE-JMJLSGOLSA-N 468.506 2.037 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1802977224 RGNMCGGEFFBXSN-IZBJGVDFSA-N 461.522 2.280 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccc1F 1811680797 BUDFMZWOSSLVDX-YWZLYKJASA-N 472.567 2.401 10 20 JECD Nc1ncc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)s1 1814161724 BKRADKLHDLELTJ-DNBICOFOSA-N 481.534 2.270 10 20 JECD O=C(Cc1ccccn1)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1815741766 KQYAFXWMJGCYND-INIZCTEOSA-N 474.546 2.486 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)C1=COCC1 1817367239 UEUJGZDWHDZHPM-AWEZNQCLSA-N 451.508 2.152 10 20 JECD Cc1nc(C)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)o1 1819804112 RUVCVJALPYDCSG-CYBMUJFWSA-N 462.557 2.181 10 20 JECD C[C@H](Oc1ccccn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822783638 VGDIYWWOWYLYLC-ZFWWWQNUSA-N 488.595 2.125 10 20 JECD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)n1cnnn1 1822860885 YPHLLFMGBJBXRX-YGRLFVJLSA-N 460.882 2.028 10 20 JECD Cc1ncccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823496401 MJAUDVNAEHCWLB-HNNXBMFYSA-N 458.569 2.279 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2[nH]nc3ncccc23)CC1 1827493718 QNWJRPXRUZOHRN-MRXNPFEDSA-N 486.623 2.052 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1noc3c1CCCC3)CC2 1828242924 WNONOMCDUFCZOA-JTQLQIEISA-N 491.620 2.096 10 20 JECD O=C(Cn1ccnc1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877138 VRPLERATTUIUPE-XZXOBPBMSA-N 454.527 2.333 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1cnccc1F 1834942434 YLNZSKXHTMCGEL-DUXPYHPUSA-N 484.528 2.236 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CCc3ccccc3F)CC2)CC1)c1cc(O)nc(O)c1 1834988454 VBMSEUQMIXDCGO-UHFFFAOYSA-N 470.545 2.450 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc(F)nc3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132677 CJSWRJGYLOTJOV-UHFFFAOYSA-N 492.555 2.199 10 20 JECD COc1cc(OC)cc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1836276983 JGSWFCNKRAHNBT-UHFFFAOYSA-N 484.553 2.009 10 20 JECD COc1ccccc1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432936 AGJIJNFWTKRUME-XMMPIXPASA-N 490.940 2.073 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3ccnc4ncccc34)C2)C1 1839433091 KOQYWEKGCPWDCX-XMMPIXPASA-N 498.923 2.078 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)C2(F)CC2)C1 1845893192 WLCUOXGMQQOBGM-GOSISDBHSA-N 460.550 2.410 10 20 JECD CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846949361 USMNCNVBTULZFY-SJORKVTESA-N 474.558 2.393 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CC4(CCCN4C(=O)/C=C/c4ccc(O)c(O)c4O)C3)c2n1 1847038709 NWSUMEIOYXUSJJ-XBXARRHUSA-N 464.478 2.219 10 20 JECD CCn1c(=O)c2ccccc2n(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1=O 105145926 HXJNJMLTDLEPFO-NRFANRHFSA-N 464.566 2.457 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)Nc3ccccc3N3CCN(CC)CC3)nnc2n1 108767992 PHKCUYWLEBOBKK-UHFFFAOYSA-N 484.634 2.256 10 20 JECD O=C(CN1C(=O)c2ccccc2C1=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 210033027 LRCRNAXKEYTOMH-ZDLGFXPLSA-N 495.538 2.029 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)cc1 749030812 RLLQNCYRTGMQCS-UHFFFAOYSA-N 451.571 2.489 10 20 JECD CC(=O)N1CCCc2cc(NC(=O)C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc21 750351108 AXBKLEJWKUPHCP-UHFFFAOYSA-N 464.566 2.449 10 20 JECD O=C(COC(=O)c1cccc(CN2C(=O)CNC2=O)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 825411506 VCHOBOPBBSGFLG-UHFFFAOYSA-N 497.463 2.309 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3ccc(=O)n(Cc4ccccc4)n3)CC2)cc1 843444186 KBCPWQWZTZJLRH-UHFFFAOYSA-N 461.566 2.242 10 20 JECD COc1cc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@H]2CCCO2)cc(O)c1O 916856958 SWSDUXSXFIGPIX-MRXNPFEDSA-N 489.550 2.323 10 20 JECD CCOC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919785419 XYMXGCPVXKBWPI-LJQANCHMSA-N 485.564 2.362 10 20 JECD Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1C 919971454 YTVOKNDEFMGVFP-UHFFFAOYSA-N 463.575 2.388 10 20 JECD CCOC(=O)C=c1sc(=Cc2ccc(N3CCCC3)cc2)c(=O)n1CC(=O)Nc1cccc(F)c1 1321646140 MRDACVJBIKQMBQ-UHFFFAOYSA-N 495.576 2.460 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4nccn4c3)C2)C1 1778018085 VBCBDHZJIQQIGG-QFIPXVFZSA-N 456.886 2.156 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)o1 1779027381 OTSHVEYFBMRMNK-OAQYLSRUSA-N 463.874 2.060 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)ccc3OC(F)(F)F)C2)C1 1780166741 YUAPGFVZEMTWLA-HXUWFJFHSA-N 485.390 2.288 10 20 JECD O=C1Cc2cccc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)c2N1 1782410122 JLTVTHSFAQBNPN-QHCPKHFHSA-N 471.897 2.003 10 20 JECD CC[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1)N(CC)CC 1783218413 ODMJDRRZGJDZCA-BXVSHKRMSA-N 489.613 2.451 10 20 JECD Cc1ccc(-c2cc(C(=O)N3CCO[C@]4(CCN(C(=O)CN5C(=O)CSC5=S)C4)C3)c[nH]2)cc1 1785538394 ZYHJIBGWDIFLQY-DEOSSOPVSA-N 498.630 2.294 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3ccnc4c3OCO4)cc2)CCC1 1790020184 UNZICZAZCAVWLO-UHFFFAOYSA-N 484.559 2.418 10 20 JECD CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)c(F)c1 1790275495 VBOKWMMFCJXVBH-DCPHZVHLSA-N 473.501 2.326 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1ccc(C2(NC(=O)Cn3ccncc3=O)CCC2)cc1 1792301280 QZMNROPKHVVJKR-YCRREMRBSA-N 476.489 2.208 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3[nH]ccc3s1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479582 JSCNCDADZAQYSM-YEZVWNJWSA-N 477.546 2.226 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(-c2cnccn2)c1 1799297777 PZKBBNKAYAMWFQ-BCDXTJNWSA-N 481.603 2.256 10 20 JECD C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)Oc1ccccc1 1800343796 SJZZMIAFXUPMAI-JRGKSQMFSA-N 482.533 2.264 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC1CCCC1)C2 1802078804 IVZLSEVTNYHFMF-NXYNRBCBSA-N 462.568 2.082 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1802979280 PJXZVOUXBOFGEN-SDKJRITQSA-N 453.495 2.317 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1nc(-c2ccccc2)ns1 1804333369 IEFONFMIMMXZNC-QDMKHBRRSA-N 487.632 2.317 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1cnsn1 1804997214 WRLACFNNYIVEFJ-IIBYNOLFSA-N 475.534 2.046 10 20 JECD Cc1cnc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cn1 1805551627 CJYDOXSOEHMQLX-DVECYGJZSA-N 483.532 2.293 10 20 JECD Cn1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)n1 1807516282 CGVZBNXOGFFLCN-VFNWGFHPSA-N 469.929 2.442 10 20 JECD CCc1nn(C)c(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1Cl 1807991792 SWIRVAJTAVMAJJ-XOBRGWDASA-N 484.944 2.471 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807993188 FOKKNKBEMNEQSH-KUDFPVQQSA-N 499.568 2.368 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCc2cc(F)ccn2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994731 YHPISKHCLIOYMT-QMHKHESXSA-N 465.485 2.374 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2csnn2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808463341 CJNULZWNQAIMEV-KKSFZXQISA-N 475.534 2.046 10 20 JECD CN1CCCC[C@H]1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808463561 DAYSRQSZUIJHAR-PBXXJUDPSA-N 488.592 2.365 10 20 JECD O=C(CNc1ccc(F)cc1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1814835937 BWJIYJYZNAJVKP-AWEZNQCLSA-N 457.487 2.426 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc3ncsc3[nH]1)CC2)c1cc(O)nc(O)c1 1816725381 HSMGAPZQEKXTLV-SECBINFHSA-N 456.509 2.427 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cnc4ccccc4n3)sc2C1)c1cc(O)nc(O)c1 1817954989 ONBUWNJEJRYEAN-GFCCVEGCSA-N 462.491 2.432 10 20 JECD CN1CCC[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)C1 1822549273 VXXUMKWHKNGGAW-CVEARBPZSA-N 480.594 2.190 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(=O)n1O)CC2)c1cc(O)c(O)c(Cl)c1 1823708146 NCUYKZBFFNVNKA-SNVBAGLBSA-N 476.898 2.146 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nc3ccccn3n1)CC2 1828199475 VCIJCXPBIIZPKY-NEXMIYJRSA-N 492.517 2.242 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(Cl)n2)CC1 1829240363 MMLRKFOERZDKDJ-OAHLLOKOSA-N 482.031 2.224 10 20 JECD Cc1nc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)co1 1837481428 XRRSXTCPYYJSRW-HWKANZROSA-N 471.510 2.425 10 20 JECD O=Cc1ccccc1-c1cncc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)c1 1843250832 SSCISGLXSWWDJU-UHFFFAOYSA-N 458.474 2.498 10 20 JECD O=C(Cc1ccc(F)c(C(F)(F)F)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056155 WTAWWZBTKWCSPY-UHFFFAOYSA-N 489.516 2.451 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 104996504 JCAMBPXGTYOVER-MHZLTWQESA-N 490.560 2.396 10 20 JECD CN(C)S(=O)(=O)c1ccc(-c2csc(NS(=O)(=O)c3ncn(C)c3Cl)n2)cc1 727248782 XEBZTURWZXWSJE-UHFFFAOYSA-N 461.978 2.248 10 20 JECD Cc1cc(N)ccc1C(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 728363350 IZAJLKGXBSRZMN-GRSHGNNSSA-N 499.570 2.480 10 20 JECD O=C1COc2ccc(S(=O)(=O)N3CCN(Cc4c(O)ccc5ccccc45)CC3)cc2N1 731354289 LQWPDVOGUQTRLJ-UHFFFAOYSA-N 453.520 2.383 10 20 JECD C[C@H](CN1CCOCC1)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 916054886 ZLSRJWSESXNSHM-BVTUPMQUSA-N 484.441 2.487 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)C[C@H](NC(N)=O)c3ccccc3)cc2F)C[C@@H](C)O1 918927915 JZFSAVUZUAAPAB-LZJOCLMNSA-N 486.544 2.398 10 20 JECD O=C(COC(=O)c1cccc(NC(=O)C2CC2)c1)NCc1ccc(N2CCOCC2)c(F)c1 918987146 WBCVLQFCYQWSIB-UHFFFAOYSA-N 455.486 2.484 10 20 JECD CSCC[C@H]1NC(=S)N(Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1=O 920183029 AAFSKIXSZILBHO-QGZVFWFLSA-N 460.604 2.281 10 20 JECD CSc1nnnn1-c1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 920923999 ZRZWFTXDINTEFR-OAHLLOKOSA-N 467.555 2.037 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(C(F)(F)F)[nH]1 1779579440 WJGBGGDAKNJREW-FOIQADDNSA-N 468.432 2.281 10 20 JECD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(O)c1OC 1781831444 YTBYMQMTYWFRJX-HSZRJFAPSA-N 492.912 2.231 10 20 JECD CCOc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1O 1781983898 SQQYMBFZFKTMOO-CFSVISAESA-N 484.505 2.065 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003396 IOZWLSQUWCPDGM-CJFMBICVSA-N 485.968 2.251 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4[nH]nc(C(F)(F)F)c4c3)C2)C1 1782528028 NZSRRCNNTGOWMC-OAQYLSRUSA-N 491.426 2.145 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4ccccc4O3)C2)C1 1783845405 JZVHYJCWIFTOBY-CSEYZPLKSA-N 480.517 2.040 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1 1785113408 RNWFFIKSSOSQKO-HSZRJFAPSA-N 473.913 2.467 10 20 JECD Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1785894658 MOHJWAOBTNSQRV-WDSOQIARSA-N 478.505 2.363 10 20 JECD Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)cc(Cl)cc1[N+](=O)[O-] 1787294539 WTYJVGUFACZCAJ-IWEFOYFVSA-N 490.900 2.270 10 20 JECD Cc1cccc(C)c1N1C[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)CC1=O 1794130968 KGCZXFLHXCTKTE-YSTOQKLRSA-N 478.549 2.415 10 20 JECD Cc1ccc(SCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc1 1796479786 TVCRDPYCTDWPGT-HBNMSFMJSA-N 492.601 2.470 10 20 JECD CSc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1O 1796480449 CXDKSPDEGNLMPA-MFKICJERSA-N 494.573 2.110 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCCN2C)C3)cc1 1799620486 YARZEEFXHPVZJN-DVKRWUGUSA-N 450.583 2.392 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c1 1799768426 YBUWRZLSIXMYTG-VPTLXERWSA-N 497.939 2.157 10 20 JECD Cc1cc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1F 1801751692 VOBLGPLRUFZQKU-RSQQPWMTSA-N 482.487 2.269 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cccc(Cl)n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994337 ULBGWZHLZHBZLE-QRQCRPRQSA-N 467.913 2.499 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(C(=O)O)ncn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811797570 GMVLLCREWVAOSC-ORAYPTAESA-N 497.895 2.268 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2CCCCC2=O)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811809142 GXBWYMJBXUSIOX-AOMKIAJQSA-N 486.956 2.478 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CN2CCCCC2)[C@@H]1c1cccnc1 1814163037 VUNNMAMINRWSNE-YTYDODPHSA-N 480.565 2.404 10 20 JECD COc1nccnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1816157811 YHLHWMJRMLYCKK-GOSISDBHSA-N 488.508 2.307 10 20 JECD Cn1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1C(F)(F)F 1816724707 BNXZOAKUVYIDOA-VIFPVBQESA-N 482.444 2.241 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cn4ccsc4n3)sc2C1)c1cc(O)nc(O)c1 1819219021 PXKRYJRDCQAABC-JTQLQIEISA-N 456.509 2.198 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cnccc3[nH]2)[nH]n1 1823500112 PWKUESOCZGLEGR-INIZCTEOSA-N 483.579 2.452 10 20 JECD COC(=O)CCCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1826241260 PTMYMCGSFYCOBP-GFCCVEGCSA-N 498.652 2.039 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)Cc2ccccc2)CC1 1831544386 VPDQBXZOQWXZFQ-SFTDATJTSA-N 453.539 2.330 10 20 JECD C[C@@](O)(CC(=O)O)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1831869213 BQBJJGRCMGKOSH-JXEUVGLKSA-N 490.553 2.052 10 20 JECD Cc1nocc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898118 ABIBDYROUXTRIS-INIZCTEOSA-N 450.586 2.077 10 20 JECD Cc1noc(C)c1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1833068929 RBYHJFWWTBQPHL-QHCPKHFHSA-N 493.944 2.059 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1cccnc1S 1833082759 RXYIFQAYKSQWPF-GQCTYLIASA-N 498.605 2.386 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)C(C)(F)F)C1 1842843221 SBFHJHHVTOIXDZ-OAHLLOKOSA-N 483.512 2.392 10 20 JECD COc1cccc(OC)c1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1844874599 ZPDBBVARSYBQGI-UHFFFAOYSA-N 462.506 2.314 10 20 JECD CCS(=O)(=O)N[C@H](CCSC)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 108283334 CKYXBUCVVGSAIT-RVKKMQEKSA-N 461.625 2.117 10 20 JECD C[C@@]1(c2ccc(CNC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2)NC(=O)NC1=O 726282730 QYHADDXOPUWYNU-DVECYGJZSA-N 452.511 2.338 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3cc(C4CC4)nc4c3c(O)nn4C)CC2)cc1 742919033 AMXMWCGGZMDBDR-UHFFFAOYSA-N 450.543 2.112 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)cc3)CC2)cc1 742927328 OPXZFQMTXVINBE-UHFFFAOYSA-N 474.627 2.324 10 20 JECD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 745298953 SBXBCUVNJVHXHT-UHFFFAOYSA-N 480.565 2.363 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 832432488 BYCYEMKEQFWVQY-UHFFFAOYSA-N 457.593 2.364 10 20 JECD CN(CC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccccc1 915007487 HVVVFWGFOUEIDI-UHFFFAOYSA-N 492.509 2.264 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)cc1OC 917757986 FNEGIIKTKVSOCE-UHFFFAOYSA-N 454.526 2.445 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(-n4cccn4)nc3)cc2F)C[C@H](C)O1 918288490 VQZAPZYOIUORBU-HOTGVXAUSA-N 452.490 2.275 10 20 JECD O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918335525 OJZWHKHWXJUIQO-UHFFFAOYSA-N 463.943 2.189 10 20 JECD Cc1cc(C(=O)COC(=O)CN2CCCCCCC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 919307277 ZNWPCAYBANZSQI-UHFFFAOYSA-N 475.567 2.260 10 20 JECD NC(=O)c1ccc(CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919782023 AKFMJYGDWBSANO-UHFFFAOYSA-N 463.517 2.041 10 20 JECD CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 920637547 JEUMOAJBHTYKLJ-AWEZNQCLSA-N 477.539 2.430 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)ccc1O)C2)C1=NN(c2ccccc2)C(=O)C1 1778127735 XGINYGKJYWETCO-ATIYNZHBSA-N 492.532 2.018 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)C2)C1 1778297901 HJCYHQQHGVJOAS-VOLVWJTLSA-N 479.668 2.283 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)c2n1 1780044813 ONBJBCKNCUCWQV-QHCPKHFHSA-N 486.912 2.393 10 20 JECD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)N(C)C(=O)OC(C)(C)C 1782007283 BFYPKJVBYBKJGZ-FATZIPQQSA-N 497.976 2.450 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)C2)C1 1782962327 BBPUHCXMCARMMO-JOCHJYFZSA-N 457.914 2.322 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3ccccc3o1)C2 1783248218 SMLMRFGRKIYXQT-WZONZLPQSA-N 487.603 2.421 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1784491021 GMLBIONNRPWMOY-JLCFBVMHSA-N 461.902 2.057 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CCCO4)C2)C1 1784956290 GGTYUAVEXKJBHV-HHHXNRCGSA-N 488.544 2.248 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510560 PQVJKXRHXBFKQX-RLFMCPGXSA-N 465.506 2.145 10 20 JECD Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)oc2ccccc12 1787292025 NGZWONXWEWNIFB-FNHZYXHNSA-N 451.479 2.455 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cccc2ncsc12 1788403125 MJXFGYXNBBUAKJ-NUTKFTJISA-N 454.508 2.010 10 20 JECD COc1ccccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1793152040 SUWNSGUBVJLYBH-QDVQPFHJSA-N 482.533 2.048 10 20 JECD COC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1802598311 CCTMFJOKJRUOEC-PGRDOPGGSA-N 463.538 2.305 10 20 JECD O=C(Cc1cccc(F)c1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1806551639 XSKGUPVENHZRRJ-VGSWGCGISA-N 486.594 2.330 10 20 JECD CC[S@](=O)CCC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1810116301 FKJVIRYRJYOUEB-BWCSMRSYSA-N 495.605 2.039 10 20 JECD CCc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cn1 1814186543 RUFQMZKLSZQJMC-IIBYNOLFSA-N 483.619 2.219 10 20 JECD CCc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)n(C)n1 1820636901 GOMBFDHZLHXHMN-VZUFXWRPSA-N 483.550 2.495 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3ccc(O)nc3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1821484388 XDLJYLHZJGDVNW-AWEZNQCLSA-N 476.518 2.262 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1823789128 ZAJUYXQTAJFSRG-FYYLOGMGSA-N 481.597 2.314 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N3CCOCC3)cn2)CC1 1825574713 DIYUMAXDKAYLGE-QFIPXVFZSA-N 495.580 2.272 10 20 JECD CNCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714985 FKLWKZPVGIOKMZ-QFIPXVFZSA-N 453.587 2.399 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cnc3[nH]ncc3c2)CC1 1828525127 WTEXXPWMNZZMIJ-QGZVFWFLSA-N 486.623 2.052 10 20 JECD C[C@@H](CC(N)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830738968 ZBRTUEDVAJKCSR-GUYCJALGSA-N 451.951 2.496 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1836816877 ASEGWGRQMXLUSB-CQSZACIVSA-N 481.977 2.278 10 20 JECD O=C(CN1CCCCC1)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837798687 MHVFFMQQVZORQD-UHFFFAOYSA-N 495.624 2.264 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cccn4cncc34)CC2)CC1 1838029893 NHWLZPLSSKLIJM-UHFFFAOYSA-N 465.510 2.067 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(Cl)c1)CCO2 1838919105 UXQBVIAJQWAHHR-VWLOTQADSA-N 496.951 2.203 10 20 JECD COCCCC(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251781 WLORHOMEIQJYQY-SFHVURJKSA-N 491.585 2.164 10 20 JECD CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 726030249 BATZETCNXPOKEI-IEBWSBKVSA-N 463.550 2.106 10 20 JECD COc1cc(Br)cc(CNc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)c1O 864044147 WMZNLHKYKSDCKP-UHFFFAOYSA-N 477.315 2.268 10 20 JECD Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1-c1ccccn1 914613469 RGBVSCRHTJBXGP-UHFFFAOYSA-N 482.562 2.179 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)cc2F)C[C@@H](C)O1 917710415 LYLCVZHNXCUHCO-ZDXGUKGBSA-N 496.539 2.285 10 20 JECD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(OC)c1 917832715 GBJMECDYNZSMFX-WMZHIEFXSA-N 494.592 2.327 10 20 JECD CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)cc1 917916494 ILIMRVXJOCBKSI-QFIPXVFZSA-N 460.556 2.075 10 20 JECD CNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C 918287363 QIGJLAKEWZKCCB-HUUCEWRRSA-N 456.518 2.362 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cc(S(C)(=O)=O)ccc3F)cc2F)C[C@H](C)O1 918288874 WRESDZNOUZMLOF-KBPBESRZSA-N 481.521 2.237 10 20 JECD COCCOc1ncccc1CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919784378 QMBCLWIICJPBQU-UHFFFAOYSA-N 495.559 2.362 10 20 JECD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 920924415 ADQZAZZZRTZBPY-SJORKVTESA-N 454.527 2.313 10 20 JECD CCN1C(=O)C(=CNc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)C(=O)N(CC)C1=S 920980084 WICVMRLZKPZBOD-HNNXBMFYSA-N 464.613 2.399 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4ncc[nH]4)cc3)C2)C1 1785156137 FOGATDCYSUFFEU-WHVGEVHXSA-N 490.516 2.350 10 20 JECD Nc1n[nH]c(CCC(=O)Nc2ccc(C3(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CCC3)cc2)n1 1789436299 ZJFLKTUFDUSSNI-UHFFFAOYSA-N 486.536 2.247 10 20 JECD O=C(Cc1cn2c(nc1=O)SCC2)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1790369040 IHKGNRWWRCTDRG-UHFFFAOYSA-N 493.545 2.146 10 20 JECD Cc1ccc(-c2ncccc2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)cc1 1796007134 CMADMHCBXUKIAV-BBIADKPPSA-N 474.517 2.380 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccn1 1796306951 YDXGRXKDYNBMFI-CIAFKFPVSA-N 496.612 2.240 10 20 JECD CO[C@H](C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)N(C)C(=O)OC(C)(C)C 1796604871 STJWAKBAVYXRFU-RGCXKDKSSA-N 492.573 2.015 10 20 JECD Cc1cc(C)n2ncc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)/C=C/c3ccc(O)c(O)c3O)C4)c2n1 1797437507 YLNKMNQDIJZPFF-DTUWPTEXSA-N 477.521 2.428 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cnccn2)C3)cc1 1799619923 KDMIOOJTFDCSBD-GQEURGSBSA-N 459.550 2.330 10 20 JECD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1805688737 NWFXAYSODLAREG-DUXPYHPUSA-N 492.579 2.293 10 20 JECD Cc1cc(C)n(CCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n1 1807997821 DXXXIHGETXWJPS-JPYJTQIMSA-N 464.526 2.111 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3c(c1)OCO3)CC2)c1cc(O)nc(O)c1 1816726508 ZJAXAOMDZMGNMM-GFCCVEGCSA-N 454.464 2.218 10 20 JECD C[C@@H](Cn1cccn1)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364016 MIOZVBCNJXQZFG-HOTGVXAUSA-N 491.577 2.381 10 20 JECD O=C(CCc1cn[nH]c1)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364460 SVBQDVIRHLPIDB-OAHLLOKOSA-N 477.550 2.204 10 20 JECD CC(=O)Nc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)ccn1 1817845252 IGCUFDSIEAGUDN-INIZCTEOSA-N 465.470 2.189 10 20 JECD Cc1nc(F)ccc1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828247538 XSCQAKXCGYYVLF-SNVBAGLBSA-N 479.584 2.072 10 20 JECD Cc1cc(/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)no1 1828994894 MZSZKLHUEMLIRV-DUMMIQTOSA-N 476.624 2.476 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCS2(=O)=O)CC1 1831287080 GNSUMUBHRHREAZ-YJWJXRIHSA-N 492.594 2.014 10 20 JECD Cc1ccn(CC(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)n1 1837192525 LXXOHGAOAPZBMF-HWKANZROSA-N 484.553 2.020 10 20 JECD CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)CCC1 1839433849 CYEPHGMWTYNWEF-QFIPXVFZSA-N 452.935 2.402 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)COc2cc(Cl)ccn2)C1 1844352974 TWEDLRWERYDEQA-HWKANZROSA-N 459.886 2.147 10 20 JECD COc1ccc2c(c1)CC[C@H](CC(=O)N1CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C1)C2 1847055526 HAOJHCPEHFJDNI-INIZCTEOSA-N 487.647 2.254 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CCN(Cc3ccccc3)C(C)=O)CC2)cc1 726211684 FXBUIUJMKGEALX-UHFFFAOYSA-N 453.539 2.326 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3nccnc3C(=O)NCc3ccc(F)cc3)CC2)cc1 726529505 XXGFUYYAGXCAGM-UHFFFAOYSA-N 492.555 2.106 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 729062617 SUCOPGFEJQGNHN-OAGGEKHMSA-N 455.511 2.466 10 20 JECD CNC(=O)CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 729785632 IUWGSYMMYOIKLL-CALCHBBNSA-N 486.544 2.209 10 20 JECD CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCS(=O)(=O)N2CCSCC2)cc1 730673056 QVTKZBPTRWOYEX-UHFFFAOYSA-N 466.629 2.436 10 20 JECD Cc1cc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccc1S(N)(=O)=O 730890052 OBZOWMQTSRBVKH-UHFFFAOYSA-N 478.482 2.213 10 20 JECD COc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c(N)c1 915411106 ZAKFWCUEKRUZSX-UHFFFAOYSA-N 457.508 2.372 10 20 JECD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccc(N4CCSCC4)cc3)CC2)cc1 917386522 MSCDNPDVNVTIOB-UHFFFAOYSA-N 488.679 2.171 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)cc2)C1 917832765 GCWXFHJLPIFEJW-SFHVURJKSA-N 490.651 2.093 10 20 JECD COc1ccc(-c2nnc(S)n2CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 918372559 MLNUGQNMSQNYST-SFHVURJKSA-N 480.594 2.261 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 919816728 JZZHSZHFXVWVNJ-LBPRGKRZSA-N 452.920 2.303 10 20 JECD COc1cccc(C[C@@H](C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n2nnnc2C)c1 920882073 MAWFQRASSIBERL-SBUREZEXSA-N 450.543 2.488 10 20 JECD O=C(Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(N3CCCC3)cc2)c1=O)NC1CCCC1 1115864029 STXWTXIWGDHSJF-UHFFFAOYSA-N 465.619 2.157 10 20 JECD O=C(Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(N3CCCC3)cc2)c1=O)NCc1ccccc1 1317902619 XNHQWMCVNXANAT-UHFFFAOYSA-N 487.625 2.415 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ncccc1C(F)(F)F 1779828295 QNLZVIORBVLDMP-QVKFZJNVSA-N 480.443 2.348 10 20 JECD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)n1ccccc1=O 1781122113 MGBZFFXHEIYQRQ-ZCLJVBCSSA-N 489.956 2.302 10 20 JECD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)N(C)C(=O)OC(C)(C)C 1782007285 BFYPKJVBYBKJGZ-QKFKETGDSA-N 497.976 2.450 10 20 JECD COc1cc2c(O)cccc2cc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1782389390 HCQORKZWIUOEOF-VWLOTQADSA-N 479.489 2.118 10 20 JECD Cc1ccc(C)c(CC(=O)N2CC[C@]3(C2)CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)CCO3)c1 1783290054 QLUHFMNYYUOPIH-MHZLTWQESA-N 474.561 2.469 10 20 JECD Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)nc1 1785308502 UCCLTTKTANRCDT-VGCDCSSQSA-N 481.549 2.133 10 20 JECD COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc(OC)c1C 1785511341 FVPUGXPPCVTRBK-UJWGQFCKSA-N 498.532 2.286 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)c3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540258 QSGUYUOTWKFHMD-XJABCFGWSA-N 464.497 2.212 10 20 JECD Cc1cccc(Cl)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792240131 WWQFEXFMVBFTSY-DZKIICNBSA-N 482.027 2.102 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccnc(Cl)n1 1796934792 SBUZGTFCWVEADP-RBVVOMGSSA-N 452.902 2.175 10 20 JECD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)c([N+](=O)[O-])cc1O 1804288728 CKKSWGCQZXVMGS-PLCSWTFUSA-N 499.476 2.391 10 20 JECD CCOC(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1804291263 HYIMALZIGWBUQC-QGZGNFAASA-N 487.553 2.323 10 20 JECD Cc1nc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccc1F 1804938663 QGSHXWPSVZMRTI-BTYIYWSLSA-N 451.458 2.364 10 20 JECD CCc1ccnc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1807889713 KFODCWBATHKRPY-LAUBAEHRSA-N 483.619 2.219 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(-c3ccccn3)[nH]n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994009 CSBJVNZCQUACAY-WAIKUNEKSA-N 485.504 2.306 10 20 JECD Cc1nc(F)ccc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807996088 XRSALJFPROKUQZ-YCRPNKLZSA-N 451.458 2.364 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1c[nH]c2ncccc12 1809116664 LFQHRVGIIJENCY-YCRPNKLZSA-N 458.478 2.398 10 20 JECD CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1813882612 CEIUVHJMVUJMHM-HXOBKFHXSA-N 475.505 2.480 10 20 JECD CCC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814165458 GEBIRYOUNDOQBT-BNQHHVCDSA-N 496.564 2.222 10 20 JECD O=C(C[C@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815609547 NNDGKMAHHBHCIE-UKRRQHHQSA-N 465.601 2.221 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728386 NWOYPPXQGXGRSI-IUODEOHRSA-N 453.524 2.449 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145975 PEEDCXDZZYWMSN-XLIONFOSSA-N 479.541 2.109 10 20 JECD CCOC(=O)C1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)CC1 1824869346 RJJMQLWVGBFSFL-FLUIGGAXSA-N 487.534 2.229 10 20 JECD O=C(c1cc(=O)nc2sccn12)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428551 VPVGKBPVJZGHCS-INIZCTEOSA-N 483.550 2.109 10 20 JECD O=C(CN1CCSCC1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714672 HAYCDJZWHJFEKF-QHCPKHFHSA-N 497.665 2.448 10 20 JECD CN1CCCC[C@@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828194962 FJXOPXAISHYHAC-YHOLHYGNSA-N 472.567 2.370 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccnc(Cl)c1)CC2 1828240476 VQHZJQFQIKIFQE-JTQLQIEISA-N 482.012 2.278 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)ccc1F)CC2 1828247235 QTYSXWYWWMQFBF-SECBINFHSA-N 480.568 2.074 10 20 JECD Cc1c[nH]cc1C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835132676 CAVNISPXXWQWAF-UHFFFAOYSA-N 476.581 2.301 10 20 JECD CCc1noc(C)c1C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838477023 IHASXFAPVVIFQJ-UHFFFAOYSA-N 494.639 2.018 10 20 JECD CN(C)[C@@H](C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2)c1ccccc1Cl 1845851859 ZXNQWIMWYQEKMK-GOSISDBHSA-N 481.043 2.006 10 20 JECD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(O)c(O)c(Cl)c2)C1 1847639983 UBJHGAGTAZEVFL-BQFCYCMXSA-N 495.960 2.203 10 20 JECD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)cc1C 15408978 AMZQEMYUPDSAIU-UHFFFAOYSA-N 458.628 2.334 10 20 JECD COc1ccc(N2CCCN(C(=O)NCc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)CC2)cc1 726278848 LDRFRZZHLJEFGI-XMMPIXPASA-N 451.527 2.172 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)nc12 731275178 DKXYAKAGIYANII-INIZCTEOSA-N 452.467 2.207 10 20 JECD Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1C(=O)NC(C)C 731286081 QIVRKCVVTPBLBR-IBGZPJMESA-N 479.581 2.090 10 20 JECD C[C@@H](Sc1nnc(CCC(N)=O)n1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 746242073 QFKINXRYJFOCCR-GFCCVEGCSA-N 463.519 2.128 10 20 JECD C[C@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 756824094 FQVDPMZCBJXRIP-UONOGXRCSA-N 453.472 2.281 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnc(C(C)(C)C)n3N)cc2F)C[C@H](C)O1 917175835 SXBAVQGHQBBDKE-KBPBESRZSA-N 450.584 2.451 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 918303355 FUPXQDVIQJDBCW-QGZVFWFLSA-N 476.599 2.053 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 918311354 QGZVLYVLGGCOAS-UHFFFAOYSA-N 487.560 2.445 10 20 JECD CC(C)[C@@H](CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCOCC1 919783899 XEYDHXYZUXZULO-HSZRJFAPSA-N 485.608 2.098 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(F)cn1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127778 MKLDACCDEMXPQH-ATIYNZHBSA-N 493.539 2.070 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc[nH]1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127939 RQARSODGDILEMU-ATIYNZHBSA-N 477.565 2.254 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1778914369 DEVBWGGZSYQOQL-NIYFSFCBSA-N 475.549 2.110 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CSC(=N)N)CCO3)C2)cc1 1781753205 FOCJVHMCKHMUOK-HSZRJFAPSA-N 455.584 2.164 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nc1F)CCO2 1785508282 ADBXTEKISKJBDC-AOQYBADCSA-N 477.876 2.148 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1scnc1C(F)(F)F)CCO2 1785508761 LCPWGTVNEUCHDJ-WLMDGNKMSA-N 499.467 2.436 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1788215109 KRRXSEBGYZFEAF-OROIIQQLSA-N 493.695 2.433 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c(C)n1 1792221355 QTLKSJNCFQLZQS-YBQUENANSA-N 495.576 2.441 10 20 JECD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(-n3c(C)ccc3C)cc2)nn1C 1799620899 NOVKSMUUDIYNNI-IRJINJETSA-N 477.565 2.353 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)[C@H]1CCC(F)(F)C1 1802406274 NOENTBPKNMYUAU-DHSIGJKJSA-N 482.578 2.383 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)nc1C 1805137708 LTSMAMJEXYUNHE-LAUBAEHRSA-N 483.619 2.273 10 20 JECD O=C(Cc1ccccc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1806519903 JEZJJIFNJVLLNQ-XMSQKQJNSA-N 468.604 2.190 10 20 JECD CC(C)c1cc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)on1 1811572259 NBAZZVGDQXBVAO-FOIQADDNSA-N 487.607 2.373 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc([N+](=O)[O-])o1 1814312781 FPRISEDKIOPHAR-NSHDSACASA-N 478.512 2.077 10 20 JECD O=C1CCc2ccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)nc2N1 1817845080 XPMMHORMGZBLGW-INIZCTEOSA-N 477.481 2.115 10 20 JECD O=C(CC[C@H]1CCOC1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1823033636 WUQAFGRIRHHKPR-DZGCQCFKSA-N 465.601 2.079 10 20 JECD O=C(c1cnn2cccnc12)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428048 YKJTXNBPTPRCFE-SFHVURJKSA-N 450.499 2.083 10 20 JECD Cc1nnc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)o1 1832877326 GENUCILBUGUBOC-IWHGQQBYSA-N 470.526 2.370 10 20 JECD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CC(F)(F)C1 1843866164 UFVZGSOPBAAKJE-OAHLLOKOSA-N 496.511 2.202 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CNC(=O)c3cc(-c4ccccc4)on3)CC2)cc1 749716468 DJRIQZZFLJMOFT-UHFFFAOYSA-N 477.565 2.409 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cccc(Cl)c3-n3cncn3)CC2)cc1 915744039 SCGPGUCWWLCDKW-UHFFFAOYSA-N 497.987 2.196 10 20 JECD CC(C)[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)N1C(=O)c2ccccc2C1=O 917832539 ACYNMDUZEJVUQL-GCJKJVERSA-N 462.550 2.325 10 20 JECD CC(=O)N[C@H](CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)cc1 918340965 ZDTCGIZPLFXWCF-OAQYLSRUSA-N 463.987 2.459 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(N4C(=O)CCCC4=O)cc3)CC2)cc1 918462579 XYGJKQQHOSHGLX-UHFFFAOYSA-N 464.522 2.416 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)C[C@@H]3c4ccccc4CCN3C(C)=O)nc12 918913908 FYMOKIJXKHSFAQ-LJQANCHMSA-N 452.467 2.191 10 20 JECD CCc1[nH]c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)c1C(=O)OC 918991652 YWDCVDGVTKTWFB-UHFFFAOYSA-N 461.490 2.121 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 919969134 GBOICWCXTFZCIJ-HXUWFJFHSA-N 491.585 2.174 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@H](c3cccs3)N3CCOCC3)CC2)cc1 920251490 AQFWIIUAGVIYNX-FMFFHWJCSA-N 484.622 2.151 10 20 JECD COCCNC(=O)[C@@H](C)OC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1343803865 RCOXAVHXKXETMZ-RLIURORJSA-N 487.397 2.345 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)n4cncn4)C3)C2)cc1 1784477589 UIVGMPYSNIEUEV-NBGIEHNGSA-N 462.554 2.390 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc(Cl)cc(Cl)n1 1789050632 QLNQHNQRXVAYGN-XEGUGMAKSA-N 467.309 2.102 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc2occ(-c3cccnc3)c2[nH]1 1798424497 PCKZTMQDGFMLNY-MFKICJERSA-N 489.488 2.146 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nccnc3c1)C2)c1cc(O)c(O)c(Cl)c1 1799768455 OFFSRSTYXPSOQB-YVWYUNDQSA-N 468.897 2.211 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(Cl)c(Cl)cc1F 1801863402 CUVOKDHBVMIGDB-XGISUXEOSA-N 470.284 2.456 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)C1 1807996528 UQDVZAFQODXAGM-HRAATJIYSA-N 497.552 2.074 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2nc3ccccc3[nH]2)[C@H]1c1cccnc1 1814188879 CUEXFASTSLXKLR-YWZLYKJASA-N 494.602 2.138 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814191639 MMGFOAHXNNVBOR-WFCRQVQFSA-N 495.630 2.446 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(-c3cccnc3)[nH]n1)CC2)c1cc(O)nc(O)c1 1816726209 RUKDRFHBQCFJDL-CYBMUJFWSA-N 477.506 2.274 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccc(Cl)cn3)sc2C1 1820436050 SVQDKRXKGFULKV-SNVBAGLBSA-N 482.012 2.278 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnn3c1CCC3)CC2 1828197722 GYPKQRZKAGAQLX-GBVBUYCNSA-N 481.534 2.342 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccccc3)CC1)CCO2 1829847298 IXXXNEKSHOTZIJ-TTZARTBGSA-N 494.544 2.005 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)CCn2ccnn2)CC1 1832251681 UBIVBPOLDOFZNB-WSSFADSRSA-N 469.542 2.118 10 20 JECD O=C(O)c1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)ncn1 1832876185 DVAKXFNOUZORNE-WSSFADSRSA-N 496.520 2.238 10 20 JECD Cc1cc(C)n2ccc(C(=O)N3CCC(N4CCC(NC(=O)c5cc(O)nc(O)c5)CC4)CC3)c2n1 1834987517 WYNALHWBISQPRK-UHFFFAOYSA-N 492.580 2.256 10 20 JECD O=C1CC(C(=O)N2CCCC23CN(C(=O)C2(C(=O)Nc4ccccc4)CC2)C3)=NN1c1ccccc1 1843441124 OAXDWXNPXDUPRZ-UHFFFAOYSA-N 485.544 2.402 10 20 JECD Cc1oc2cc(O)ccc2c1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1843742996 VQRAFDTWZAYBPI-UHFFFAOYSA-N 459.549 2.124 10 20 JECD O=C(OCCO)c1ccccc1C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501735 XGQJRGAIIJITPI-UHFFFAOYSA-N 474.897 2.031 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c1 729064499 SJIQJYIOCVRWPL-ZHRRBRCNSA-N 467.522 2.385 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCC(CCN4CCOCC4)CC3)CC2)cc1 729585967 BVNXKHSNMLPDFF-UHFFFAOYSA-N 473.662 2.351 10 20 JECD CCCNC(=O)CN1CCC(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)CC1 915178520 IBILBMGNVOCEEW-UHFFFAOYSA-N 478.505 2.091 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)cc2)C1 917835843 FOFHQGLDCUXKRM-AZUAARDMSA-N 490.651 2.309 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3cc(C(=O)O)cc4c3CCCC4)cc2)C1 917930837 WIRAQEIICHYGPV-GOSISDBHSA-N 471.579 2.444 10 20 JECD C[C@H](NC(=O)c1cccs1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919699516 PLHKINCXFWPGTR-INIZCTEOSA-N 468.558 2.439 10 20 JECD CCN1C(=O)C(=CNc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C(=O)N(CC)C1=S 920978570 JWOWZVWIJUPNIA-UHFFFAOYSA-N 464.613 2.399 10 20 JECD CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)c1 1318212573 FNBWZDTYSCDVEN-UHFFFAOYSA-N 480.593 2.155 10 20 JECD C[C@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)Oc1ccccc1 1781602739 HFCZXUYASGZZMH-FLPMJASOSA-N 469.538 2.478 10 20 JECD CC(C)(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc1 1781729675 VERXLLAMARYHQR-DEOSSOPVSA-N 455.511 2.427 10 20 JECD C[C@]1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CC1(F)F 1783144718 RMZPLDRWULWISD-SXSPYAJSSA-N 474.508 2.339 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)C2)C1 1785391169 KBDDUSYQAHTQRB-NJSLBKSFSA-N 493.573 2.045 10 20 JECD Cn1c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)ccc1C(F)(F)F 1785506097 YVMSJGFKIRZDSL-RJOTYRNVSA-N 495.454 2.318 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ncccc1C(F)(F)F)CCO2 1785507348 NUAVSNDFCDUVFG-UKKYDJSUSA-N 493.438 2.374 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccn4cn3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245126 SQUNGUQTTJLQPI-RISOHXOYSA-N 470.913 2.306 10 20 JECD CC(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1795104358 UXKLTCFLDPJASS-MHXAIHSWSA-N 488.629 2.340 10 20 JECD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)ncc1[N+](=O)[O-] 1796934394 LJGDMPPFMIOXQK-VBUUOAMHSA-N 476.493 2.343 10 20 JECD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811809721 OYZZMMLRRZMAIB-HCVAFPHWSA-N 491.928 2.082 10 20 JECD CC(C)N(C)CC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813603258 YZYHQQXCAPSUHM-FDXNHCMWSA-N 468.554 2.258 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@H]1c1cccnc1 1814165514 GSTNCUXZUAQWOT-QGCFRUQCSA-N 475.505 2.354 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)C2(C(F)(F)F)CC2)[C@H]1c1cccnc1 1814188965 HXUDSVPICBQELB-CJNGLKHVSA-N 486.541 2.290 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)c3nncn3c1)CC2)c1cc(O)nc(O)c1 1816726381 VNZDCHQPUXZXFQ-NSHDSACASA-N 485.913 2.185 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)N1C[C@H]2C[C@@H]2C1 1817361880 KUQRPWSZUFTKSZ-QBPKDAKJSA-N 492.605 2.188 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccncc3O)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1820331093 OKPNLRPIMCUADH-CYBMUJFWSA-N 476.518 2.262 10 20 JECD CCc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)nn1C 1820973166 NSONGRJCEGXIQV-NEXMIYJRSA-N 483.550 2.495 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823707854 DAXSIHJOLVMTAA-ONGXEEELSA-N 466.947 2.348 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(CO)CC2)CC1 1824994418 UWFBFBNTSQOIDP-KVZIAJEVSA-N 481.684 2.265 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)Cc1ccsc1)CC2 1828242245 GOBHJDIMILAQSD-LLVKDONJSA-N 466.635 2.220 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)C(F)(F)c1ccco1)CC2 1828246939 JQSXBRCRDNTOMK-VIFPVBQESA-N 486.547 2.300 10 20 JECD COc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc(Cl)n1 1834988861 NCEMJKOHHKMXMP-UHFFFAOYSA-N 489.960 2.049 10 20 JECD Cc1n[nH]cc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1836155119 VLGYVCMPICWEQZ-UHFFFAOYSA-N 461.950 2.282 10 20 JECD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)n1cccn1 1838111855 UJDWLEKCDGGRDM-IBGZPJMESA-N 492.580 2.236 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1c(F)cccc1Cl 1847419215 CSHPYMGKVVVYFJ-GJZGRUSLSA-N 455.964 2.084 10 20 JECD CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)c1cccc3c1C(=O)c1ccccc1C3=O)C2=O 10877624 QMICFHFBERNRKR-UHFFFAOYSA-N 489.484 2.151 10 20 JECD Cc1cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1-c1cccc(Br)c1 24800624 CAXITYBQODYSLF-UHFFFAOYSA-N 470.327 2.487 10 20 JECD CS(=O)(=O)NCCN1C(=O)/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)SC1=S 727177489 KOOWGDXPNLSTLO-VBKFSLOCSA-N 470.598 2.336 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCCN1C(=O)c1ccccc1 729325761 AIFQBJCZMLTXAZ-JOCHJYFZSA-N 455.580 2.233 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(CS(C)(=O)=O)cc3)cc2F)C[C@H](C)O1 746989497 JRZHJJKHVPWNCJ-HOTGVXAUSA-N 477.558 2.239 10 20 JECD COc1cccc([C@H](CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)N(C)C)c1 918118206 PEEQQQZZWFPWES-REWPJTCUSA-N 453.587 2.499 10 20 JECD CC(C)n1ncc2cc(NC(=O)C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cnc21 918442303 HYMISVVZBSMZDH-UHFFFAOYSA-N 450.543 2.476 10 20 JECD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)CC1 918457435 SNQNKABQUVZHHO-UHFFFAOYSA-N 477.609 2.199 10 20 JECD CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 919031566 PIDTWKNYAUMMMU-UHFFFAOYSA-N 486.500 2.052 10 20 JECD C[C@H](OC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 920542350 CQMPHNWZFYPSBX-CVEARBPZSA-N 488.500 2.248 10 20 JECD Cc1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1778325069 FCZHADXDXYWXBA-PLOYQGSLSA-N 467.522 2.348 10 20 JECD C[C@@H](Cn1ccnc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781122907 AQMFEDYKLGCSQM-FCORRRHLSA-N 476.961 2.412 10 20 JECD COC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)CCO3)C2)CC1 1783216549 QQSYNPYCPGAWMD-RUZDIDTESA-N 465.550 2.491 10 20 JECD CCc1ncsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787540375 WOSMHUYSAFKJMV-KNBMTAEXSA-N 481.578 2.092 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc2cnccc2n1 1787890082 ONPLMTBJFLOAHV-WFUMMYSLSA-N 490.516 2.053 10 20 JECD COc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1795127938 VGRGHLBCZNXEAS-ZJZZYZHZSA-N 490.560 2.010 10 20 JECD Cc1sc(-c2ccccc2)nc1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796136004 DOGSTUJGMIQIGD-FEJSZKPUSA-N 494.573 2.371 10 20 JECD CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)C1CC1 1796601148 YRNJQRZHBWNXBT-MHORFTMASA-N 474.558 2.438 10 20 JECD CC(C)(C)OC(=O)NCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804340614 WZAZSXBZJPLCLT-QDMKHBRRSA-N 498.671 2.036 10 20 JECD Cc1ccncc1CCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1804556077 TWILXNDXRPKSJD-WMZHIEFXSA-N 497.646 2.284 10 20 JECD CO[C@H](C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1)c1ccccc1 1809447375 FMPHCHRBMNHNIR-FQEVSTJZSA-N 475.636 2.466 10 20 JECD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810549868 HGVMRACXBBHWEB-NRFANRHFSA-N 498.555 2.224 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1n[nH]cc1[N+](=O)[O-] 1810636196 DGEJZENNQIAWBF-SGTLLEGYSA-N 486.872 2.411 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n(C(F)F)n1 1811519212 QGLXGSNOAAZHSN-IFXJQAMLSA-N 472.452 2.421 10 20 JECD Cc1cccc(/C=C/C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)n1 1814185553 SJTLMTLMOYKAIO-PWISXXLXSA-N 495.630 2.365 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@@H]1COc2ccccc2O1 1815674908 IUGUBYOYFUWYSO-YJBOKZPZSA-N 465.466 2.362 10 20 JECD O=C(CN1CCc2sccc2C1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722348 YOXDLRFMJAWEIX-CQSZACIVSA-N 485.591 2.295 10 20 JECD O=C(CC1CCOCC1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1817169385 CSOWYWUDXPSTFT-HNNXBMFYSA-N 465.601 2.079 10 20 JECD C[C@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)NC(=O)OC(C)(C)C 1817173309 DLOALWMOYPYAJY-YPMHNXCESA-N 491.570 2.478 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2)n1cncn1 1826797966 LQGUMRBDVBHAGN-GXSJLCMTSA-N 462.919 2.286 10 20 JECD Cc1cn2c(=O)c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)cnc2s1 1828288907 NIGCPMZFMHXMAJ-SFHVURJKSA-N 497.577 2.418 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1828872525 QFYBYMJQSYYJBS-XMSQKQJNSA-N 496.612 2.107 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnco2)CCO3)cc1 1831937851 ZXYWAHOURMLQAN-VWLOTQADSA-N 464.522 2.466 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3CCSCC3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134031 WUAPRLKHVRYBTM-UHFFFAOYSA-N 497.665 2.494 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1ccc([N+](=O)[O-])[nH]1 1836198414 VKGDALDODTZTNL-UHFFFAOYSA-N 491.932 2.487 10 20 JECD Cc1nc2sccn2c1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838030038 ZUTVCINJRLFZCO-UHFFFAOYSA-N 485.566 2.436 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840414034 NWYICOAYUNXSLT-BFFNPARHSA-N 487.940 2.320 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccc(Br)cc2F)C1 1841169895 ZMMXOIGDNGDTKJ-UHFFFAOYSA-N 486.388 2.266 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cnc3ccc(Br)cn23)C1 1844146953 FCRUBOPSDBUTGU-UHFFFAOYSA-N 472.299 2.034 10 20 JECD CCOCCC(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251514 DLPCRTDHHHRMJY-GOSISDBHSA-N 491.585 2.164 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2cc4n(n2)CCNC4=O)C3)cc1 1845398241 OCIFKGKNGGZCPB-UHFFFAOYSA-N 472.549 2.165 10 20 JECD O=C([C@@H]1C[C@@]12C(=O)Nc1ccccc12)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845502298 JILBIQPCTYLUCV-OWJWWREXSA-N 467.909 2.478 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845502370 QAJDTXWCMRIMNM-GFCCVEGCSA-N 453.923 2.481 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2(c3ccc(O)cc3)CC2)=NN1c1ccccc1 1847591759 RMIGDKAKNNWXQF-VXKWHMMOSA-N 458.518 2.419 10 20 JECD C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1)n1cncn1 747017443 IESFLNFKIOOQDZ-MRXNPFEDSA-N 461.526 2.115 10 20 JECD CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)ccc21 747017493 NIHNQGIDBVKQOG-UHFFFAOYSA-N 470.595 2.499 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(CN2C(=O)CNC2=O)cc1 916687783 IJVJFNGEGQSYCQ-UHFFFAOYSA-N 451.527 2.269 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN(C)C3=NS(=O)(=O)c4ccccc43)cc2F)C[C@H](C)O1 917708410 BIRXMFVKKDQXQG-HOTGVXAUSA-N 474.558 2.136 10 20 JECD COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 917930494 SPJMQSYKUWKLDS-INIZCTEOSA-N 465.959 2.307 10 20 JECD CCN(CC)CCCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 918225007 ZJHABYNCXLWFBV-UHFFFAOYSA-N 477.625 2.432 10 20 JECD CS(=O)(=O)c1ccc(CNC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 918848769 UYPGGHOAJUHZRV-UHFFFAOYSA-N 477.494 2.339 10 20 JECD O=C(COC(=O)CCCc1nc(O)c2ccccc2n1)NCc1ccc(N2CCOCC2)c(F)c1 919026293 PWZFPSYNKCDURK-UHFFFAOYSA-N 482.512 2.493 10 20 JECD COc1ccc(N/C=C2\C(=O)NC(=S)N(CC(C)C)C2=O)cc1S(=O)(=O)N1CCCCC1 920978076 TYEGAOQMPKYQMA-FOWTUZBSSA-N 480.612 2.065 10 20 JECD COC(=O)c1ccccc1CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777846532 NLDPUYPGNNVDMS-FQRUVTKNSA-N 497.548 2.040 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1779658255 WYTHJBCWKSVYPX-LJQANCHMSA-N 488.850 2.261 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1cnccn1)C2)c1cc(O)c(O)c(Cl)c1 1781122961 INDYFWDRJQSNHF-ROQWUKPNSA-N 472.929 2.382 10 20 JECD O=C(/C=C/c1ccoc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1785136976 SYNJAZBBLLHAOQ-VZXNONTISA-N 454.479 2.103 10 20 JECD Cc1ccc2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)ccc2n1 1787292314 QLUVZDFWUJPIMO-CUWPLCDZSA-N 462.506 2.257 10 20 JECD Cc1nc2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)ccc2s1 1788007774 IHZNNXXNNGDVFP-ZVZYQTTQSA-N 468.535 2.318 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)[C@H]2C1 1790751875 MTDNBRXLOWQYNQ-JVPBZIDWSA-N 471.941 2.471 10 20 JECD COc1cc(F)ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1791887896 BWSMDHDLZZZRDG-QHVXYVIKSA-N 486.496 2.258 10 20 JECD COc1ccsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792217711 INDNQEFRWUPQHO-KOSDZWPSSA-N 474.535 2.180 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]nc2ncccc12)C1=NN(c2ccccc2)C(=O)C1 1796663189 NMWGNHSILDLXTO-ACHSLPGTSA-N 457.494 2.003 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)c1[N+](=O)[O-])C2)c1cc(O)c(O)c(Cl)c1 1799768414 WIGPUVPZMJYJDW-DPIQGUFMSA-N 479.848 2.316 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@@H]1CCc2ccccc21 1801113083 QJLCRNKRFKDVDP-YBWLXYFRSA-N 472.545 2.099 10 20 JECD Nc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)sc2nccnc12 1804285322 KZTAFWJNUJRCEO-LJWNITHASA-N 481.534 2.356 10 20 JECD O=C(COc1cccnc1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1804338170 UAAKDBIQDCTMCE-FQRUVTKNSA-N 498.543 2.354 10 20 JECD O=C(CN1CCCCC1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1806887116 NIKSNNVFUZXAER-YTYDODPHSA-N 480.565 2.404 10 20 JECD COc1cccnc1CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807993943 RHICFJLXAYIVEX-MZNJEOGPSA-N 477.521 2.244 10 20 JECD Cn1cc2cc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)ccc2n1 1807998742 FJFGHTYEBGUHSX-UZUQRXQVSA-N 472.505 2.408 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001656 VGIKDAXDKFGMPY-SPLOXXLWSA-N 479.449 2.135 10 20 JECD CCc1cc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n[nH]1 1808468800 YCVHNRGAFXGSNE-UUOWRZLLSA-N 485.548 2.480 10 20 JECD CS(=O)(=O)c1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)cc1F 1810550098 WLYKNLXJLUZFCS-UHFFFAOYSA-N 491.541 2.194 10 20 JECD Cn1cc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)cn1 1811808889 FXDHDQQOZXISBC-HRAATJIYSA-N 469.929 2.442 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)cc3nn[nH]c13)CC2)c1cc(O)nc(O)c1 1816727331 ONOKBCSVZKVBLW-JTQLQIEISA-N 485.913 2.414 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1820680474 CYZINOGHIYDHRS-SECBINFHSA-N 482.444 2.241 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccccc2=O)[nH]n1 1823475023 ITMXXBKWRBNZQM-VMSUTVGLSA-N 479.493 2.094 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1823507194 NHBNEESSILBFHV-KBXCAEBGSA-N 478.509 2.340 10 20 JECD CN(C)C(=O)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)c1 1827928993 KWHKNMGSHHYKIW-OAHLLOKOSA-N 481.534 2.191 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1cc(F)ccn1)CC2 1828239830 IROJDUBGLUVFNO-ZDUSSCGKSA-N 493.611 2.082 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)Cc2ccncc2)CC1 1830180557 PGOVLLOZJDNYRJ-GOSISDBHSA-N 460.625 2.104 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2csnn2)CCO3)cc1 1831755333 UCTJEUVEFJHZOE-XMMPIXPASA-N 481.578 2.329 10 20 JECD COCCOCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877642 WLHOLZDHVPRMOQ-FNQPIQQGSA-N 462.543 2.099 10 20 JECD O=C(c1n[nH]c2c1CCCC2)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901425 DKINUEBVXOQKHI-GOSISDBHSA-N 489.667 2.382 10 20 JECD Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)on1 1833734212 DYUXLFPRCPRRSH-UHFFFAOYSA-N 476.961 2.476 10 20 JECD COc1cc(F)c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c(F)c1 1834987396 PSPCSWSUQDCUOU-UHFFFAOYSA-N 490.507 2.279 10 20 JECD CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)CCCC1 1839432696 XLQQOZIJURRFTG-QFIPXVFZSA-N 452.935 2.402 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)C2CCN(Cc3ccccn3)CC2)C1 1842095234 OXBXWIVAIZGDSF-SOFGYWHQSA-N 492.576 2.327 10 20 JECD COc1ccc(N2CCN(C(=O)CSc3nnnn3-c3cc(C)ccc3OC)CC2)cc1 3555593 ZWALGIMWFRSZQI-UHFFFAOYSA-N 454.556 2.429 10 20 JECD CC(=O)N1CCC(CNC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 729540706 MFQLFMGPHCKWHU-UHFFFAOYSA-N 476.511 2.090 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)cc1 746989878 IGMXSPXKUVPRIP-UHFFFAOYSA-N 453.543 2.257 10 20 JECD C[C@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 756824085 FQVDPMZCBJXRIP-KBPBESRZSA-N 453.472 2.281 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)CC2)cc1 916196832 QFMHSRDPQHVFNU-UHFFFAOYSA-N 480.569 2.081 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)cc2F)C[C@@H](C)O1 917712148 HQBCZFTXHUCKJB-DOQJBMMISA-N 471.508 2.315 10 20 JECD CCc1ccc(C(=O)O)cc1S(=O)(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 917863655 ZBCKBKDLBNNKCU-UHFFFAOYSA-N 461.584 2.446 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)cc2)C1 918032316 WMJPEWZLIPDNKF-LJQANCHMSA-N 463.538 2.359 10 20 JECD CC(C)OCCCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 918118364 ZZKYQVGSZOFOSJ-QFIPXVFZSA-N 487.645 2.241 10 20 JECD CCC(=O)N[C@@H](CCSC)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919700918 GZCWZFUHSAHYRM-IBGZPJMESA-N 474.606 2.206 10 20 JECD COc1cccc(/C=C(\C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)n2nnnc2C)c1 928982721 ACPDWEPQDZYDAW-HYARGMPZSA-N 464.526 2.256 10 20 JECD C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 1338738964 ZUYHTUVWJJBUCZ-OAHLLOKOSA-N 483.537 2.346 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc2ncoc2c1 1778698554 BXWSVMQKBLLNAC-WZONZLPQSA-N 452.467 2.075 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)c(F)c3)C2)C1 1780831292 MYTAPTHATVCRBP-XMMPIXPASA-N 468.460 2.201 10 20 JECD CCCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781121861 CJULAXHQGDWOQD-FPULEUEGSA-N 481.977 2.184 10 20 JECD Cc1ccn2ncc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)c2c1 1782001257 IHXAAGJKJNREBN-QHCPKHFHSA-N 470.913 2.465 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004243 UOKWQMZRZOZTSS-WAIKUNEKSA-N 495.960 2.204 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n(C)n1 1805639303 FYZGKWTWSSEKCG-DVECYGJZSA-N 485.548 2.236 10 20 JECD N[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccccn1 1807172550 KFDAWFQLFYYLGS-XZTJCQNUSA-N 489.532 2.013 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3cccnc3[nH]2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995167 DJMALVMLOPHAPE-IERDGZPVSA-N 458.478 2.398 10 20 JECD COc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(O)c1OC 1807999766 NBAFQGCTLZATRR-QVKFZJNVSA-N 494.504 2.244 10 20 JECD Cc1noc(N)c1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808467651 JDVHJPCDSFTIRV-VGOFRKELSA-N 487.520 2.073 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3cccc4[nH]ncc34)C2)CC1 1810591139 RMTUEJLNVQHLDF-UHFFFAOYSA-N 471.608 2.268 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1O2 1812887903 BDWNZYICVVPOID-JJCHBBGLSA-N 487.560 2.448 10 20 JECD CC(=O)c1cc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n[nH]1 1814162420 JULIVMFSNBLGIO-FERYEXAHSA-N 491.504 2.157 10 20 JECD CN(C)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1816226949 HOMWPYZZINKZKF-QGZVFWFLSA-N 451.487 2.297 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722322 XPPMFDCUFSLCJP-WMZOPIPTSA-N 479.562 2.232 10 20 JECD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)n1cccc1C=O 1816722634 SHIUDVKCWMYXCS-WCQYABFASA-N 455.496 2.050 10 20 JECD O=C1Cc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)ccc2N1 1818981090 YCVVSLBHAQWKKP-QGZVFWFLSA-N 462.466 2.330 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)c3cn4cccnc4n3)sc2C1 1819031220 GLFTVHKOVVBQMI-MXPWBENCSA-N 492.517 2.242 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3[nH]cnc3-c3cccnc3)sc2C1)c1cc(O)nc(O)c1 1821258897 QKHYDJCPZATUHB-ZDUSSCGKSA-N 477.506 2.274 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)CCN2CCCCC2)CC1 1826545551 OWVSANOLLVHCCG-LJQANCHMSA-N 480.700 2.342 10 20 JECD CC(=O)N[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)C(C)(C)C 1827424110 PERXMSIUZHYYQE-WIYYLYMNSA-N 460.575 2.277 10 20 JECD Cn1c(=O)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)nc2ccccc21 1828220341 RHAVEAGVQVLGSB-IBGZPJMESA-N 491.548 2.287 10 20 JECD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)n1ccccc1=O 1829080916 JNHOXEORQOXMTJ-LPHOPBHVSA-N 454.527 2.149 10 20 JECD O=C(C1=COCCC1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900674 XMUSERMEVGXKBT-KRWDZBQOSA-N 451.614 2.161 10 20 JECD Cc1scc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)c1C 1834536325 UJMYSGQZAHTTFY-VWLOTQADSA-N 496.589 2.228 10 20 JECD Cc1n[nH]c(C)c1C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835871230 VGDNIEUKMLNIAE-UHFFFAOYSA-N 491.596 2.005 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838029730 HFCIHQLWMFBRPO-INIZCTEOSA-N 469.542 2.001 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)CC1 1838031485 GZUMLFMKYFCMDV-UHFFFAOYSA-N 457.449 2.448 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433139 MKGHAAQRTHOCBS-OMHSXHNCSA-N 487.940 2.320 10 20 JECD CC(C)C1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CCC1 1840881957 XBHANXGJXQJVME-COIATFDQSA-N 474.554 2.099 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 1841401061 QFUOQGYWFXYEAK-ZIAGYGMSSA-N 465.547 2.132 10 20 JECD Cc1c(C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)cnn1C 1843330961 WHFQNNRBJCQAST-OAQYLSRUSA-N 496.612 2.264 10 20 JECD COc1cc(OC)c(F)c(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1 1843442687 UMPBDZZXJZUCNF-UHFFFAOYSA-N 480.496 2.453 10 20 JECD CC(=O)N[C@@](C)(C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)c1ccccc1F 1847038513 UNVSQEIVCDVMLU-VMQHTIDMSA-N 497.523 2.211 10 20 JECD COc1cc2c(O)cccc2cc1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055084 ASYBGWQYKGWCIR-UHFFFAOYSA-N 485.587 2.231 10 20 JECD CCCC(=O)Nc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)cc1C 1847055962 PAZCEYRPQBJOBO-UHFFFAOYSA-N 488.635 2.411 10 20 JECD COC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1847315399 YOPBIQSOCWFXPV-AABGKKOBSA-N 474.602 2.331 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CCNS(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 742947450 GDOLPFXAKSJVMC-UHFFFAOYSA-N 488.654 2.425 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(-n4cnc5ccccc54)nc3)CC2)cc1 743432828 TZKDWEUWRIUWPV-UHFFFAOYSA-N 499.575 2.306 10 20 JECD Cn1c(=O)c2c(ncn2CCC(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n(C)c1=O 760936268 KUEHWDRIKPKRNP-UHFFFAOYSA-N 489.492 2.421 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 917752105 RUTZLHINYXARAV-UHFFFAOYSA-N 487.625 2.424 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 918221517 WDVXQJOPWGBKHY-UHFFFAOYSA-N 491.545 2.424 10 20 JECD CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 918296745 KRJSWJPYBYCGML-IBGZPJMESA-N 475.567 2.225 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC(C(=O)N2CCOCC2)CC1 918782741 WJNDAIWBTOZGOK-UHFFFAOYSA-N 484.519 2.322 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)nc12 919126816 HUBYARQWZMJYKB-UHFFFAOYSA-N 452.383 2.063 10 20 JECD C[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)Nc1ccc(N2CCCC2=O)cc1 920638300 UDBPEJLUWBVDJV-ZDUSSCGKSA-N 461.496 2.075 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnc(C(F)(F)F)c1)C2)c1cc(O)nc(O)c1 1777847650 KKTZFASIDQNMEE-IIBYNOLFSA-N 480.443 2.348 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(Cl)nc1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126944 UHDDYDBSMRJRRT-NTKDMRAZSA-N 496.955 2.050 10 20 JECD CCOc1ccc(Cl)cc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1781744343 VHMLPWWZSFDJKY-JOCHJYFZSA-N 461.902 2.302 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc(-c3cccnc3)[nH]n1)CCO2 1782006974 CYWBQTHAPXXBDA-HSZRJFAPSA-N 483.912 2.294 10 20 JECD O=C(CC1(O)CCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1782780506 OWWUNWFPZMIHET-DYESRHJHSA-N 452.935 2.184 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1C[C@@H]3CC[C@H]1C3)C2 1783246101 RWPSLMLAAXBTSN-GIFQPEHOSA-N 479.668 2.187 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1C[C@@H]3CC[C@H]1C3)C2 1783246104 RWPSLMLAAXBTSN-SJPYXHTESA-N 479.668 2.187 10 20 JECD CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1793472440 RGTYVDPFNZLIRH-ACHVPNTGSA-N 480.609 2.460 10 20 JECD CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)CCCCC1 1796482552 HZWRBEWVQCLGRA-OPMZPASUSA-N 452.555 2.339 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cnc[nH]1)C2 1796748609 AWSXMGNVYNAQDO-FVTFTPSCSA-N 496.612 2.309 10 20 JECD Cn1ncc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)cccc21 1797089453 JAROMDMRDMEFRF-VTEUUUEMSA-N 470.913 2.155 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1c[nH]c2cccc(Cl)c12 1797569025 UYTGXMAMDVXLJM-NXCRSVRDSA-N 456.886 2.145 10 20 JECD CC(C)(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)[nH]n1 1798134424 QSEZFJOTXZKMJI-IVWMJMPLSA-N 462.934 2.289 10 20 JECD O=C(CN1CCCC1=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1806924556 UJJLYDZNVZPRTD-VFNWGFHPSA-N 472.929 2.088 10 20 JECD Cc1cc(C)nc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1807818145 MXNHVDMSYDEAQX-LAUBAEHRSA-N 483.619 2.273 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(Cl)c3nncn3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995245 FSVICCRNMIJIRC-JLTOFOAXSA-N 493.911 2.217 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)no1 1814185239 AJDOVKHHHYMMIZ-QRWLVFNGSA-N 487.607 2.373 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccc(-n2cnnc2)cc1 1817206555 USURAEKUSFGJND-GOSISDBHSA-N 474.481 2.416 10 20 JECD O=C1Cc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CN4C(=O)CSC4=S)[nH]n3)ccc2N1 1818983940 MGVXGEIRJQPBQI-MRXNPFEDSA-N 498.590 2.071 10 20 JECD O=C(Cc1ncccn1)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708360 VLJMXZYMVVVPMG-NSHDSACASA-N 459.915 2.466 10 20 JECD O=C(c1cc2cccnn2n1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428321 OFQSMPCKJWSKEW-LJQANCHMSA-N 450.499 2.083 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1827971621 FSKYHKXUUBEAJZ-LBPRGKRZSA-N 477.543 2.090 10 20 JECD CC(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCN2C(=O)OCc2ccccc2)C1 1829037660 UMRNUNKQUDGERY-VWLOTQADSA-N 482.537 2.215 10 20 JECD Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)ccn1 1829249927 DDPJPDBJJJSNBD-GOSISDBHSA-N 460.625 2.484 10 20 JECD Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)c1 1836202017 GIFCRJMXVUDUFC-HHHXNRCGSA-N 491.592 2.369 10 20 JECD O=C(Cc1c(F)cccc1F)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1838995300 FDVUATJLHPUEIH-HSZRJFAPSA-N 496.894 2.342 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 1848026283 ZNTWEBNCCWHUJB-GIVPXCGWSA-N 450.539 2.220 10 20 JECD C[C@H]1CN(C(=O)COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C[C@H](C)O1 10926386 LRFSFTPPZOYMNG-STQMWFEESA-N 452.419 2.163 10 20 JECD COc1ccc(N2CCN(C(=O)CNc3cccc(C(=O)N4CCC[C@H](CO)C4)c3)CC2)cc1 728152669 JKJWJUJNZJYOHP-FQEVSTJZSA-N 466.582 2.300 10 20 JECD O=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 916676186 BMSKMZQHLCGRSQ-UHFFFAOYSA-N 494.411 2.120 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)cc1 917650809 KQWABENQGPPNCZ-UHFFFAOYSA-N 472.611 2.461 10 20 JECD COc1ccc(N2CCCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 917758713 QEBPKQIXIWRANP-UHFFFAOYSA-N 479.624 2.381 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(Cc4ccc(OC)c(F)c4)CC3)CC2)cc1 920252733 NYEYCVGAUDACIF-MDZDMXLPSA-N 496.583 2.392 10 20 JECD CN(C)C(=O)c1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1782008099 VQLWUPPTPNDPKW-DEOSSOPVSA-N 487.940 2.210 10 20 JECD O=C(Cc1ccc2c(c1)CCO2)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009599 XAOVPYOEVFYXCJ-DEOSSOPVSA-N 472.925 2.372 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783222889 PQEFVMPETVMDAL-BXZVDQOMSA-N 497.548 2.193 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3ccccc3)[nH]n1)CCO2 1785508142 ZBQUNDCZTSSGOY-TTZARTBGSA-N 490.516 2.350 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(c4ccc(F)c(F)c4)CC3)C[C@@H]21)c1cc(O)nc(O)c1 1787295406 NOMQFADGKDAVJW-AXHNFQJDSA-N 473.476 2.096 10 20 JECD Cc1ccccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1789502130 ABOUZPUEBLMKLK-QOCPPALMSA-N 452.507 2.419 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1c(F)cccc1Cl 1798805867 WKGDVNRUNVPINH-YEZVWNJWSA-N 484.915 2.475 10 20 JECD COc1cc(OC)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1 1798899178 NGFDIYMUTXEISJ-YVWYUNDQSA-N 476.913 2.285 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1c[nH]c2c(Cl)cccc12 1800058474 QUUJJUIDNZFLNA-DBWKPXFBSA-N 456.886 2.145 10 20 JECD CN1CCCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1803171480 MFQKCYIKMMWZBE-GRYUFTJMSA-N 488.592 2.365 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)[C@@H]1CCc2ccoc2C1 1803284794 LPQMWEHEFNCCSK-TVTNDZMWSA-N 498.630 2.346 10 20 JECD COc1cc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccn1 1804275213 CZDUBSALSOUBAS-MHECFPHRSA-N 477.521 2.244 10 20 JECD Cc1cccnc1CCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1804405584 KTJQLYXKOPTBMY-JPYJTQIMSA-N 497.646 2.284 10 20 JECD CN(CC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)C(=O)OC(C)(C)C 1806723203 HYEKOPRCYPCKSO-HRAATJIYSA-N 485.541 2.074 10 20 JECD N[C@H](C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccccn1 1807172544 KFDAWFQLFYYLGS-ISVXONDLSA-N 489.532 2.013 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)cn2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468123 ONVRHCRQZCTNMQ-HOYKHHGWSA-N 484.516 2.295 10 20 JECD CCC1(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)COC1 1812488366 ABWXFQWYOZLGIN-CVDCTZTESA-N 475.549 2.307 10 20 JECD CC(=O)Nc1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1 1816727974 DKSGCQWENNWGRE-HNNXBMFYSA-N 467.507 2.447 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(-n3cncn3)c2)[nH]n1)c1cc(O)nc(O)c1 1817847193 NZALLNCTSCBIKH-GOSISDBHSA-N 474.481 2.416 10 20 JECD C[C@H](Oc1cccnc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1826885679 DMLDJCWUGIEVIM-WCQYABFASA-N 455.496 2.038 10 20 JECD CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)c4cc(O)nc(O)c4)C3)C2)CC1 1828763203 AIBNIPHDKGOQQD-SANMLTNESA-N 494.548 2.359 10 20 JECD CC(C)(C)n1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)nn1 1829786471 GNQQKGYXZKNUSN-GOSISDBHSA-N 456.547 2.386 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)[C@H](F)c1ccccc1 1833654666 MWEWZFXUSBAVFN-JOCHJYFZSA-N 456.518 2.389 10 20 JECD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1F 1838916624 CDKPJQDNOABTRT-NHDFZSDJSA-N 486.496 2.034 10 20 JECD CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CC1 1841754906 IKISVNKVQXEGLQ-JCNLHEQBSA-N 474.558 2.393 10 20 JECD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1844287386 SLHOFKWTHLGWCB-HSZRJFAPSA-N 481.549 2.406 10 20 JECD COC(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(C)c1 1846918642 MZQMPGWAHAPFAP-UHFFFAOYSA-N 474.517 2.392 10 20 JECD COc1ccc(N2CCCN(C(=O)NCc3cccnc3N3CCC(C(N)=O)CC3)CC2)cc1 729230657 OVGHYLAKYGDGBT-UHFFFAOYSA-N 466.586 2.214 10 20 JECD Cc1cccc(N2C(=O)N[C@H](CCC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)C2=O)c1 730747068 DDXFKPXTXQUYHQ-SIKLNZKXSA-N 477.565 2.218 10 20 JECD Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 917394422 RKSQSKPXRAJBAU-IEBWSBKVSA-N 480.034 2.196 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccccc3N3CCN(C)CC3)CC2)cc1 918462586 YBGFJHJJCJWUNZ-UHFFFAOYSA-N 451.571 2.124 10 20 JECD NS(=O)(=O)c1ccc(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 918614760 FKEVWFAFMCRWGP-UHFFFAOYSA-N 463.503 2.110 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c(F)c1 1777852820 WSKKRJZZBJHKBC-WZONZLPQSA-N 459.474 2.082 10 20 JECD C[C@H](Cn1ccnc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781122908 AQMFEDYKLGCSQM-NFHUAXAMSA-N 476.961 2.412 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3ccc4occc4c3O)C2)C1 1782395010 WEZJVMBPRONDCR-SANMLTNESA-N 488.500 2.375 10 20 JECD C=C(Oc1ccccc1O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1787503770 YWYAOGKMWSAOBX-BCTDBEARSA-N 496.516 2.095 10 20 JECD CC(=O)Nc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)o1 1788608180 IVHYKSADUHVUSN-YEWDVWPNSA-N 477.901 2.210 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCn4cncn4)C[C@@H]32)cc1 1790125970 CRLAAJLFMQOFHL-XWGVYQGASA-N 476.581 2.369 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(Cl)c3)C[C@@H]21 1792218895 WJDLLRUSFCNQFJ-WPNASSTASA-N 473.913 2.159 10 20 JECD CC(C)(C)c1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)ccn1 1794602610 SDZOBLPMANTTLA-MUJYYYPQSA-N 460.625 2.491 10 20 JECD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800718083 BODUGGDURVWJTO-JYYAWHABSA-N 497.976 2.279 10 20 JECD CCC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O)n1cccc1 1802080050 GQPCFJJZZIFWJM-QTMKABEBSA-N 469.538 2.249 10 20 JECD CN1CCCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1803176768 HYONWDGNURXTJT-BAORSSAKSA-N 480.565 2.402 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)[C@H]1CCCO1 1807701099 LTYOJLUZFBZYAQ-WQHHPMTRSA-N 453.495 2.097 10 20 JECD Cn1ncc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1C(F)(F)F 1807991331 OWZXIBAIORVAMO-UGSOOPFHSA-N 490.442 2.274 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccncn1 1808515707 BLAUPKMGAMZJJS-RKUWUGLRSA-N 461.478 2.021 10 20 JECD Cn1ccc(=O)cc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811370604 GZRMJALKQQXESC-VFNWGFHPSA-N 482.924 2.478 10 20 JECD CC(C)CNC(=O)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811804384 VZXBQCHDQJFWGA-KXBFYZLASA-N 474.945 2.238 10 20 JECD COc1nccnc1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162400 JOZGIIOQXFZCHN-PQGDUDRBSA-N 491.504 2.030 10 20 JECD C[C@H]1CCc2c(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)n[nH]c21 1816724702 BKTWKOUTRAJAKZ-GXSJLCMTSA-N 454.512 2.262 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccnnc2O)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147054 NFFCKBODKQYKSA-SFHVURJKSA-N 474.481 2.004 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccc4nccnc4c3)sc2C1 1818498685 HBUOULIROAEPFX-GFCCVEGCSA-N 498.615 2.172 10 20 JECD CC[S@](=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823475486 SKKGDTMWIJWKLC-IHJYLNOKSA-N 476.555 2.391 10 20 JECD O=C([C@@H]1ON=C(c2ccccc2)O1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428278 MODZQWZWUYRBTA-DFBJGRDBSA-N 480.521 2.461 10 20 JECD CC(C)CNC(=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827704227 WRWDGTFIWKMABY-JOCHJYFZSA-N 481.597 2.171 10 20 JECD CC[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)N(CC)CC 1828239706 DBPOVSODTROPCE-GXTWGEPZSA-N 483.685 2.036 10 20 JECD Cn1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)c1=O 1832876165 DEOCPFTYUHXDSJ-CSNYQSHPSA-N 481.549 2.449 10 20 JECD CCOC(CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)OCC 1832900572 WRGHZPMEDJCMIB-KRWDZBQOSA-N 485.672 2.256 10 20 JECD Cc1cc(/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)no1 1832902507 OQXQPLXCKJDBQP-QWNKOJSDSA-N 476.624 2.476 10 20 JECD Cn1cc(F)cc1C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835248052 IAZZSWXEGWPRHC-UHFFFAOYSA-N 494.571 2.142 10 20 JECD Cn1cc(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)cn1 1838688697 WRZQGVUSGONBJZ-UHFFFAOYSA-N 476.961 2.340 10 20 JECD Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)c1 1839433678 PJBBOOXJZZAOJA-HSZRJFAPSA-N 460.914 2.443 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccsc4[nH]3)C2)C1 1840881150 FTTPZTAYCODWAL-JWZSXRADSA-N 499.545 2.130 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847033976 SKQGBWJLXLFNNQ-CSNYQSHPSA-N 463.534 2.077 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H](C(C)C)N2CCCC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 726037879 LWLRBBIDEIRUOA-JOCHJYFZSA-N 475.567 2.114 10 20 JECD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)n2)c[nH]1 727247524 AXZXXYVISQMPAS-UHFFFAOYSA-N 482.565 2.166 10 20 JECD CC1CCN(C(=O)C2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)CC1 917068344 RWBMJSMZBCGGRJ-UHFFFAOYSA-N 460.594 2.249 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)COc3cccc(N4CCCC4=O)c3)cc2)C1 917833432 SIPFYCLRICVDAY-IBGZPJMESA-N 450.539 2.210 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 917919229 WIWTUUAOISLTEY-HUUCEWRRSA-N 494.541 2.491 10 20 JECD CSc1nnnn1-c1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 918297746 RMMVVKSPIVKDBO-SFHVURJKSA-N 468.539 2.236 10 20 JECD O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1 919730687 NMXLGUWWBFJHRB-UHFFFAOYSA-N 457.474 2.294 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCC(C(=O)N2CCCC2)CC1 919783264 IKAOFYOUGTXZRU-UHFFFAOYSA-N 495.603 2.486 10 20 JECD CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c1 919959493 VPWZGTZCXHQTAE-UHFFFAOYSA-N 475.386 2.490 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)C2)cc1 1781755260 JERNCQVFPVMAFO-UIOOFZCWSA-N 483.565 2.153 10 20 JECD Cc1cccc(F)c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1782872461 HFPYAMWBCGYUOU-OPAMFIHVSA-N 479.599 2.122 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccccc1OC(F)(F)F 1783717637 OTDOKEHVLREJIU-NUTKFTJISA-N 481.427 2.299 10 20 JECD NC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccccc1 1786924836 RPUAZTGJYMPSNP-DBSRCYSRSA-N 473.957 2.087 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1790579278 IULKOBIDPDTZKS-FOAGIQHTSA-N 481.549 2.070 10 20 JECD O=C(Cc1cccc(OC(F)(F)F)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1790776294 BLCYUZOUMXPRKH-WBAXXEDZSA-N 495.454 2.227 10 20 JECD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)cccc1C(F)(F)F 1796140505 RMBQYVIFTPITAN-HBCWATKFSA-N 465.428 2.337 10 20 JECD CC(=O)O[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)C(C)C 1796934625 MVYSBNCKPYAJHK-ZBPHCFQXSA-N 454.527 2.005 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@H](O)Cc1ccccc1 1796935011 NECZNAXSMNXKNR-ZVXPMLRVSA-N 460.534 2.021 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C\C(=O)NC2CC2)cc1 1797616218 ROWTVIXGZHPKGT-UKKJZBCXSA-N 476.577 2.132 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@H]1CCc2ccccc21 1801113082 QJLCRNKRFKDVDP-AJDBGRLRSA-N 472.545 2.099 10 20 JECD COC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1802601146 IZDQVSHUMCSYDM-JFFDJDQUSA-N 455.511 2.343 10 20 JECD CCc1nn(C)c(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1Cl 1807991788 SWIRVAJTAVMAJJ-VLIAUNLRSA-N 484.944 2.471 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnc3ccccn23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996224 OGYGAWOEURIBJB-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)cc1 1808266792 CRURKSKZKZDBNX-NHTMILBNSA-N 460.582 2.095 10 20 JECD CC(C)c1cc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)on1 1811572266 NBAZZVGDQXBVAO-YWZLYKJASA-N 487.607 2.373 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H](CNC(=O)C(F)(F)c2ccco2)[C@H]1c1cccnc1 1812377420 MTLFGZSJPXMVMN-RDTXWAMCSA-N 494.545 2.333 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CC(c3ccccc3)=NN2)[nH]n1)c1cc(O)nc(O)c1 1817846849 DVVVYXUMFMFCCD-OALUTQOASA-N 475.509 2.288 10 20 JECD Cc1nc2ncccn2c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1818669065 GWSIORMOCOXZLM-OAHLLOKOSA-N 462.470 2.187 10 20 JECD Cn1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c2cccnc21 1823500020 KHIZIJPWNVZEEE-INIZCTEOSA-N 497.606 2.463 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3c(c2)CCNCC3)CC1 1831147650 FXMDJRKUWULRBI-QFIPXVFZSA-N 479.581 2.123 10 20 JECD C/C(=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)C(=O)O 1832823262 FUOBEJZGGQLBAS-KBLWNETJSA-N 458.511 2.467 10 20 JECD Cn1cnc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)c1 1832877657 WRTRZAATBCVPPH-ZLQZBKBYSA-N 454.527 2.484 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)cc1 1833168657 DCRXQMLXAIXVPW-MHZLTWQESA-N 489.576 2.197 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCc4ccccc4C3)CC2)CC1)c1cc(O)nc(O)c1 1834988087 COVHPGCTWDSSCB-HXUWFJFHSA-N 478.593 2.483 10 20 JECD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1C 1838945805 XOFXSBBFPPSMTA-AQBQYSGMSA-N 482.533 2.204 10 20 JECD Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cn1 1839432693 XBLFIKZFTFVFHP-DEOSSOPVSA-N 489.956 2.157 10 20 JECD CCCCCc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)s1 1839688106 FGMRFPNMFGYMBE-QHCPKHFHSA-N 490.582 2.066 10 20 JECD O=C(/C=C/c1ccsc1)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccc(O)c(O)c1O)CCO2 1840880165 ZJKNPVDQVFPHJF-NLNDOHDBSA-N 486.546 2.048 10 20 JECD O=C(N[C@@H]1CCC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)OCc1ccccc1 1843250395 SYSDPTSVFXKVSF-VQTJNVASSA-N 494.548 2.405 10 20 JECD O=C1CCc2ccc(C(=O)N3CC4(CCCN4C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)cc21 1843442278 IJQKVGHEVBSIGA-UHFFFAOYSA-N 456.502 2.425 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)C1 1846183357 GYUSJJGLWVGBMR-OWJWWREXSA-N 467.909 2.478 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 21463360 MXVUHMMXWVRNKV-QFIPXVFZSA-N 470.503 2.307 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1cc(C(F)(F)F)cnc1O 726290955 QVRZJUSNHLRFNW-UHFFFAOYSA-N 456.396 2.161 10 20 JECD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c1 729417592 MQKKXNPINARSLD-UHFFFAOYSA-N 470.551 2.379 10 20 JECD COCCN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1 731197633 XVFNYTFHLHPKIH-RGHBXIHOSA-N 488.678 2.392 10 20 JECD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCc1ccc2c(c1)CCCN2C 747018013 WPESUGMSUDQZMR-UHFFFAOYSA-N 484.622 2.305 10 20 JECD Cc1cc(C(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)c(C)n1-c1cccc(C(F)(F)F)c1 748429347 RUGNJHZLOXWIQI-UHFFFAOYSA-N 484.456 2.383 10 20 JECD COCCCn1c(O)nnc1SCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917184440 GERNFLFDCFSWFE-GJZGRUSLSA-N 467.567 2.181 10 20 JECD CN1CC(=O)N(c2cccc(NC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2)C1=O 918040063 ZHKBVWZHDSLCJS-KRWDZBQOSA-N 464.526 2.108 10 20 JECD CN(C)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 918278696 XOCCUSZURNJBCA-UHFFFAOYSA-N 451.449 2.258 10 20 JECD O=C(C[C@@H]1Oc2ccccc2NC1=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919762125 UGZILXYGLPXGBV-QFIPXVFZSA-N 476.512 2.348 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccc(N2CCOCC2)cc1 920923539 RPQYQNMTACPLMD-KRWDZBQOSA-N 464.522 2.383 10 20 JECD CCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1OC 920939590 KSQSEDMYNSGRKZ-UHFFFAOYSA-N 496.611 2.013 10 20 JECD CC(C)CN1C(=O)/C(=C/Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C(=O)NC1=S 920978991 ZHSLJJIDAIIJAO-SFQUDFHCSA-N 477.612 2.133 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cn2ccc(Cl)cc2n1 1778725369 JQMVJOIOTSHHKD-UZUQRXQVSA-N 485.928 2.235 10 20 JECD C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)O1 1781122828 SFEDCAHKYRBCCG-JKWAKEATSA-N 452.935 2.446 10 20 JECD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(O)c1OC 1782007614 IMFVCTHJBOEHJP-HSZRJFAPSA-N 492.912 2.231 10 20 JECD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009733 ZZXZAHRXGQEBPU-QFIPXVFZSA-N 493.875 2.485 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)s1 1785919936 MQWGWUVGPVQVCS-RPTOOPIJSA-N 458.536 2.480 10 20 JECD Cc1cnc(Cl)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1 1786257615 MYYKALXIFGLILJ-CASRODDKSA-N 487.940 2.467 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c(C)c1 1789677190 PZHRXDKXDGUCKR-OWNFZTQPSA-N 482.533 2.427 10 20 JECD Cc1cc(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)c(C)c1 1791933906 NYYCEQRUNXABQU-BZSNNMDCSA-N 475.636 2.065 10 20 JECD CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1)c1ccccc1 1792238522 KRGGOEOYAXCFMG-VJANTYMQSA-N 475.636 2.020 10 20 JECD COc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)n1 1794288723 ROYUJLOLNIHJRS-YBBAKNLXSA-N 467.522 2.491 10 20 JECD Cc1nc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)s1 1794698706 CEGHSHCRWGKOIR-YWVIFJGQSA-N 451.932 2.342 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1-c1ccc(F)c(F)c1)C2)c1cc(O)nc(O)c1 1796138469 YTSIINIHXYQTSI-MFKICJERSA-N 496.470 2.350 10 20 JECD CCC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)n1cccc1 1796381861 HIPIOWMUZGHLNF-SZGVKKGVSA-N 477.565 2.212 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS[C@H]1CCCCO1)C2)c1cc(O)c(O)c(Cl)c1 1799769450 LYTQVNKUIOIJHL-FTUNRGFVSA-N 470.975 2.214 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cc(F)ccc3[nH]1)C2 1802079477 BZWMQJUWTQMLJR-VKJSYOCJSA-N 481.480 2.340 10 20 JECD COc1cncc(CCC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1807994236 TZRWFAQTXXLPPL-UUOWRZLLSA-N 477.521 2.244 10 20 JECD CCO/C=C/C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813251488 DZHXSYWHUFFTFO-HNAFVLLKSA-N 453.495 2.468 10 20 JECD Cn1cc(CCC(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cn1 1814162994 UMKHFAYPDGCZKJ-ANWYUNHFSA-N 491.548 2.284 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CC2(O)CCC2)[C@H]1c1cccnc1 1814165650 JTAPFTSGAYHXKF-DPLQINJDSA-N 467.522 2.223 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cccc3c[nH]nc23)[C@@H]1c1cccnc1 1814189637 UYRMFVPRXHQAFB-HRAATJIYSA-N 494.602 2.138 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CNc3ccccc31)CC2)c1cc(O)nc(O)c1 1816722860 ZXYHGJQAADYTBU-GXTWGEPZSA-N 451.508 2.384 10 20 JECD Cc1[nH]nc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)c1F 1817363579 JLUKPIPMHVBRQX-LBPRGKRZSA-N 481.513 2.332 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cn4ccsc4n3)sc2C1)c1cc(O)nc(O)c1 1819219022 PXKRYJRDCQAABC-SNVBAGLBSA-N 456.509 2.198 10 20 JECD CCn1nc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cc1C 1823500133 QOYIVVCVTCXTOE-OAHLLOKOSA-N 475.600 2.101 10 20 JECD COc1cccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)n1 1825111852 BFDXCAITNDMCRY-GOSISDBHSA-N 490.651 2.113 10 20 JECD O=C(c1cnc2[nH]ncc2c1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427636 NOOBDKGDWBSKOG-GOSISDBHSA-N 450.499 2.311 10 20 JECD CC(C)n1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)n1 1828247540 XSNMTEJGIVFRCS-NSHDSACASA-N 478.625 2.007 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccc(O)cc2)CC1 1830045723 OOYGTQGQQFKIDF-GOSISDBHSA-N 461.609 2.486 10 20 JECD CC(C)(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c[nH]1 1833383673 IXXXYYLEYBZXMA-MXDXTTGUSA-N 499.564 2.212 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cn4ccc(Cl)cc4n3)CC2)CC1)c1cc(O)nc(O)c1 1834987695 WNKSQMDIRSDHIJ-UHFFFAOYSA-N 498.971 2.293 10 20 JECD O=C(/C=C/c1ccco1)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1837190241 WPTOPPONJFEENH-ONEGZZNKSA-N 477.608 2.152 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)C3CCC(O)CC3)CC2)CC1 1838111536 AGRCATJJLKBPRE-UHFFFAOYSA-N 496.608 2.329 10 20 JECD Cc1ccncc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432116 BRXKUYYTIKKPKT-XMMPIXPASA-N 489.956 2.157 10 20 JECD CC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CCCCC1 1840881594 YGFCXYATQMGCRH-VQEXNLMWSA-N 474.554 2.243 10 20 JECD CSCC[C@@H](CC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)NC(=O)OC(C)(C)C 1843380935 ASIBPYRRVYSVSN-INIZCTEOSA-N 494.614 2.346 10 20 JECD Cc1noc(-c2ccccc2)c1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1843440951 UQHHQAKLHZAVEA-UHFFFAOYSA-N 470.576 2.327 10 20 JECD COC(=O)c1cc(/C=C2\SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)oc1C 726627684 SPZINHVLEQDXBG-NVNXTCNLSA-N 452.535 2.423 10 20 JECD C[C@@H]1COCCN1CCNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 729386136 QBAWNLJCWZXNSN-BVTUPMQUSA-N 484.441 2.487 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)cc2)C1 749499048 OZCBWDQDNOGGMX-TZIWHRDSSA-N 478.549 2.038 10 20 JECD CC1(C)NC(=O)N(CCCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1=O 916456886 XVDRGTCZRRIBIW-UHFFFAOYSA-N 456.465 2.269 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)COc3ccc(C=O)cc3)cc2F)C[C@@H](C)O1 919040975 KMQRCFCUAAAIRL-IAGOWNOFSA-N 458.486 2.490 10 20 JECD CCn1c(CCC(=O)NCc2ccc(N3CCOCC3)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 919766796 VDOODBVMYXFXDO-UHFFFAOYSA-N 499.637 2.392 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 920195237 NIBGDWLLRCCHJT-UHFFFAOYSA-N 464.444 2.070 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(F)c(F)c1)C2)c1cc(O)nc(O)c1 1777847661 LDYILMLJPRVPSN-WZONZLPQSA-N 461.465 2.141 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1c[nH]c3ccccc13)C2)c1cc(O)nc(O)c1 1777852671 PCFMBGYEVAXJDU-CJFMBICVSA-N 464.522 2.344 10 20 JECD Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1781655952 IFBKWYFRVSMPRY-PTGVWUEVSA-N 456.470 2.408 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)C[C@H]1OCCc3ccccc31)CCO2 1785503231 DKRZZSJTKLKZKF-SMOIFFDNSA-N 494.544 2.351 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cccc2c1OCCO2 1787942925 PUENZFHZWMUAMF-RISOHXOYSA-N 488.924 2.430 10 20 JECD CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)N1Cc2ccccc2C1=O 1796600775 CMUDWXTXNPZGLC-YWNPBTLJSA-N 478.549 2.425 10 20 JECD CCC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1798418296 MRMBRQARNQORLY-MHORFTMASA-N 489.569 2.151 10 20 JECD CC(C)(C)OC(=O)N1[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C[C@H]2C[C@H]21 1804402819 SBTLPNAKHHWIDA-XNNFIENISA-N 472.542 2.143 10 20 JECD CC(C)(C)n1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cn1 1804935196 ZMWNZCOTTYGPGI-IERDGZPVSA-N 464.526 2.473 10 20 JECD CCN(C)[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808469169 IQSXJIGEJUWZGT-LJFZDNNRSA-N 476.581 2.221 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cn2ccsc2n1 1809935496 WSELYKGJCWDWHR-KUHUBIRLSA-N 464.507 2.230 10 20 JECD CC(=O)Nc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1813894579 DGINEDTYYSKDRA-JPYJTQIMSA-N 475.505 2.480 10 20 JECD Cc1nc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cs1 1814185907 ICTFBPFISVZDJM-RDTXWAMCSA-N 475.621 2.026 10 20 JECD CC(C)(O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1814336431 HPPYXABGEHPYHV-ZDUSSCGKSA-N 455.540 2.009 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cnccn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818145771 JGJXSFZHBPXRMR-LJQANCHMSA-N 458.482 2.299 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc2nccn2c1 1818758054 PJTMIMDXHBYSPV-OAHLLOKOSA-N 483.579 2.224 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc2ccnn2c1 1821512511 PUAHTXGCUZTPAC-INIZCTEOSA-N 483.579 2.224 10 20 JECD C[C@@H](Cn1cncn1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823710868 NADCGRLLXDKTMB-JQWIXIFHSA-N 476.946 2.361 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)CCOc1ccccc1)CC2 1828242211 DWACOPMFVGDTRP-CYBMUJFWSA-N 490.632 2.385 10 20 JECD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c(C)n1C 1828246946 KENAUHPITPYJOZ-GFCCVEGCSA-N 477.637 2.185 10 20 JECD CC1(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCN3C(=O)OCc3ccccc3)C2)CC1 1829037451 LADFYRREXPVTBC-AREMUKBSSA-N 494.548 2.359 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832259044 FDOSHAYGMVECAI-QFBILLFUSA-N 490.651 2.329 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C(F)(F)F)c1F)CCO2 1839301597 ZFEQZDWJJNXENR-OAQYLSRUSA-N 499.417 2.035 10 20 JECD CC(C)(C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)c1ccccn1 1839432956 BMFWCAGCNRRKAE-XMMPIXPASA-N 489.956 2.194 10 20 JECD COc1cccnc1CCC(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1842013811 FWHOAROKMNIABO-RMKNXTFCSA-N 453.495 2.056 10 20 JECD CN1CCc2cc(C(=O)N3CCCC34CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)ccc21 1843756888 WPPXYLPKKRIWHC-UHFFFAOYSA-N 457.534 2.289 10 20 JECD COc1ccc(Cl)cc1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1844984310 HDUAHGBODMWCMB-UHFFFAOYSA-N 453.973 2.026 10 20 JECD Cn1c(=O)c(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)nc2ccccc21 1845501499 WPOZUXIJHLINIL-UHFFFAOYSA-N 468.897 2.129 10 20 JECD COc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)cc1Cl 1847056194 JTNAKUYLWIUTKG-UHFFFAOYSA-N 453.973 2.026 10 20 JECD CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 726030265 BATZETCNXPOKEI-PKOBYXMFSA-N 463.550 2.106 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3nccnc3C(=O)NCc3ccc(F)cc3)cc2)C1 726527035 DJMNZTXSLDIZJP-LJQANCHMSA-N 490.539 2.177 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 914784156 FDGDBJAFWXSBMB-UHFFFAOYSA-N 455.515 2.052 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1 915469456 GBFXNGXSJHWIAI-UHFFFAOYSA-N 465.466 2.295 10 20 JECD CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 918465852 UEGBUJJAFJVQNF-VHNWJRSRSA-N 478.549 2.220 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCS(=O)(=O)C3CCCC3)cc2F)C[C@@H](C)O1 919336086 MAPYXGADUHZREX-CALCHBBNSA-N 484.590 2.346 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cc(C(N)=O)c4ccccc43)cc2F)C[C@H](C)O1 919567795 AFVQCMXPELLRJO-IRXDYDNUSA-N 496.539 2.353 10 20 JECD O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)ccc1O 919729104 CVOQIQSFIIORLY-UHFFFAOYSA-N 488.501 2.035 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccc(CN2CCCC2=O)cc1)c1ccc(N2CCOCC2)cc1 920923406 PYVKOWXJBSSHKE-SFHVURJKSA-N 450.539 2.462 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccncc1C(F)(F)F)C2)c1cc(O)nc(O)c1 1777848543 YARNQZKZSHOTLM-IIBYNOLFSA-N 480.443 2.348 10 20 JECD CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1779038397 UCWMDPTYSYUINF-VWLOTQADSA-N 483.638 2.022 10 20 JECD CCOC(=O)c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)cc1 1781138322 FCOBLHLFYPEMGR-KBMIEXCESA-N 483.521 2.111 10 20 JECD COC(=O)c1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)s1 1782007992 RASDOGLXYWFLSJ-JOCHJYFZSA-N 494.953 2.286 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4ccccc43)C2)C1 1784110178 NRSWJKXLVZGPMU-JAGNOKMQSA-N 464.518 2.377 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)CCCCn1cccc1)CCO2 1785507697 STQDOEPCJUCRDJ-PMDNVAFQSA-N 469.538 2.319 10 20 JECD COc1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792218311 RMUFBPJZQQPMFO-HVYBTOTFSA-N 468.506 2.119 10 20 JECD O=C(CSc1ccncc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1793950384 KCXOCQRXUHAHHB-HBCWATKFSA-N 463.943 2.142 10 20 JECD CCOc1c(F)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)cc1Cl 1796140342 LMBKGJZCMZUOMO-HBCWATKFSA-N 479.892 2.201 10 20 JECD COc1ccc([C@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1 1802078767 DNKMANHGQYIBPQ-CQLGTRJWSA-N 482.533 2.219 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)[C@@H]1COc2ccccc2O1 1804283618 IKOYLGUSGOCXLJ-AISZDGGFSA-N 466.490 2.295 10 20 JECD O=C(NC[C@H]1CCN(C(=O)COc2cc(Cl)ccn2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996149 YUNYUDZFPHQPSC-QRQCRPRQSA-N 483.912 2.335 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2CCCCC2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468488 REZZOCYRXNRRQE-LVXARBLLSA-N 488.592 2.366 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3cnn4cccc(F)c34)CC2)C1 1810554600 OXQBDXCRCSKITN-UHFFFAOYSA-N 453.474 2.438 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccon2)[C@@H]1c1cccnc1 1814162430 JXDYXSOZKZAZRF-CVTZPFNJSA-N 450.451 2.219 10 20 JECD Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c(O)c1 1814192898 YFFFBGUYRUNKFF-IERDGZPVSA-N 484.603 2.276 10 20 JECD CC[C@@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1814473986 SFQUFVALLUHPLU-YLJYHZDGSA-N 479.541 2.109 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1cnccn1 1816366024 MPFGCFDTOIXAFX-BIENSFFJSA-N 450.455 2.336 10 20 JECD CCOC(=O)/C=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1816752804 JZZSVYDXJMCBMC-CVTTXWKISA-N 478.509 2.314 10 20 JECD COCCCC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364003 MDVZUECDZIUAIM-CQSZACIVSA-N 455.540 2.275 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)[C@H]1CCCO1 1817656726 ZTMXPOQLAXJJMF-RTBURBONSA-N 450.499 2.374 10 20 JECD CC[S@](=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1819263054 HSLGZSMCWJVXQF-XRSWDHFMSA-N 484.582 2.353 10 20 JECD CCc1cnc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)s1 1820181397 ZHIUDTISQCRVOB-SECBINFHSA-N 481.650 2.248 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCCC2)[nH]n1 1823476746 JOLSHPGXGQLLNW-LKUPDRCFSA-N 455.515 2.328 10 20 JECD Cc1n[nH]c(C)c1CC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900069 CDXICAAPBZVHNV-GOSISDBHSA-N 477.656 2.049 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCCS3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835133847 DQXRJUIGYQJHEV-JOCHJYFZSA-N 483.638 2.247 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 1845314738 ZTSHSDVVOMYZIS-UHFFFAOYSA-N 465.441 2.344 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Cc3c(C)nc4nc(SC)nn4c3C)CC2)cc1 28065622 BIMOSHLCYLHWIB-UHFFFAOYSA-N 483.642 2.343 10 20 JECD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726727393 XVPULEMEOBPGSN-UHFFFAOYSA-N 490.507 2.479 10 20 JECD Cc1cc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)ccc1OC(C)C 726976093 ILVCCOCCAREJOD-UHFFFAOYSA-N 452.598 2.496 10 20 JECD C[C@@H](OC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 750000298 GQIIASFUQASPRZ-ZIAGYGMSSA-N 455.488 2.157 10 20 JECD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 752808963 ZSBLEVMXTKHKDW-UHFFFAOYSA-N 459.568 2.053 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCN(C(=O)COc4ccc(Cl)cc4)CC3)CC2)cc1 917069017 IBPNSJPEJZYLMV-UHFFFAOYSA-N 487.000 2.220 10 20 JECD CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 917834582 KOYQBCIOBADEFI-FQEVSTJZSA-N 472.611 2.347 10 20 JECD CCNC(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 918288945 YBZJJNYASHQDRG-IRXDYDNUSA-N 486.544 2.209 10 20 JECD CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919761912 TUILSNAOOPUZIZ-UHFFFAOYSA-N 498.584 2.171 10 20 JECD O=C1NC(=S)NC(=O)C1=CNc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1 920978669 CCWVACDKLFVRHA-UHFFFAOYSA-N 486.575 2.480 10 20 JECD Cc1nnc(SCC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)o1 1317731519 XBVSIGLHXRBZNA-VGOFMYFVSA-N 464.550 2.216 10 20 JECD CC(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C2)C1 1779002417 POOHWVLLWIRCBB-AVRWGWEMSA-N 491.585 2.020 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3c(Cl)cccc3Cl)C2)C1 1780516902 MKVBYWSQYUBBGT-LJQANCHMSA-N 488.418 2.297 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)cc1 1781755884 VGIKABLBNJNKCH-HFZDXXHNSA-N 464.566 2.064 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)n4ccnn4)C3)C2)cc1 1782763095 FVGLDZIKFVJOME-NLFFAJNJSA-N 462.554 2.390 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)Cc1cccc(F)c1F)CCO2 1785509900 CCDQONXMEMFZDQ-COIATFDQSA-N 474.460 2.167 10 20 JECD CCc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1 1787233335 INDGBKOLLNLKHV-GMHLOAMTSA-N 467.522 2.068 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc(F)cc3F)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243044 PBMJRFOMNOOCIG-SVKFGRERSA-N 467.856 2.332 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(c4ccccc4)CCC3)[C@H]2C1 1791198827 AXNRVGQXLBDUHC-VDGAXYAQSA-N 451.523 2.208 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCCn3cccc3)C[C@@H]21 1792217757 JVINIJWVHGVKLC-ZNTKURTCSA-N 483.565 2.468 10 20 JECD CC(C)n1cnc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)n1 1792315110 DJLYJJWVVPEIKB-UHFFFAOYSA-N 472.596 2.467 10 20 JECD Cc1cnc2c(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C3=NN(c5ccccc5)C(=O)C3)C4)cnn2c1 1798077620 CPKPTKHSPPSTGG-GGPHIMKMSA-N 471.521 2.082 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCC2)C1=NN(c2ccccc2)C(=O)C1 1798101290 RFSYOIYKEYDDAV-PDFPEKILSA-N 460.538 2.264 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)[C@@H]1CCc2cccc(Cl)c21 1800328890 HMNHWJJVNPWYNC-DXEZIKHYSA-N 457.914 2.079 10 20 JECD COc1ccc([C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1 1802078768 DNKMANHGQYIBPQ-YWOZTKAZSA-N 482.533 2.219 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)o1 1803787464 DYBLDVFUZBVRQO-HNAYVOBHSA-N 458.565 2.163 10 20 JECD Nc1ccccc1/C=C/C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722069 CJPSNNDVXJXUEL-LHRNQBEKSA-N 451.508 2.471 10 20 JECD COC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1816808022 YLDAKGNFTXXOAU-RZIFZGNASA-N 458.471 2.185 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1noc2c1CCCC2 1817865814 FYXCNUGUQVXTMG-AWEZNQCLSA-N 488.595 2.443 10 20 JECD CN1CCC[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146252 XIZYXIPMNPROKD-PMACEKPBSA-N 463.542 2.289 10 20 JECD Cc1ncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)s1 1823498027 LRRZYKYATGEZLW-GFCCVEGCSA-N 464.598 2.341 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2)n1ccnn1 1824690636 HAGIILRXUOBRFP-ONGXEEELSA-N 462.919 2.286 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2c(O)cc(O)cc2O)CC1 1830645100 LVVFPGBIZYEYHO-MRXNPFEDSA-N 457.483 2.157 10 20 JECD CC(C)c1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)on1 1836179954 LMAFEBCZDVHOLP-UHFFFAOYSA-N 457.531 2.103 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3c(F)cncc3F)CC2)CC1 1838029708 DEPPONLZFJATRP-UHFFFAOYSA-N 462.453 2.092 10 20 JECD O=C(c1ccc(-n2cccn2)cc1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442562 RYUUHHNOAHUYPJ-UHFFFAOYSA-N 468.517 2.482 10 20 JECD COc1ccc2c(c1)CC[C@@H](CC(=O)N1CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C1)C2 1847055528 HAOJHCPEHFJDNI-MRXNPFEDSA-N 487.647 2.254 10 20 JECD O=C(c1cc(F)c(F)c(Cl)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056184 JRHBRZFSWFYPQD-UHFFFAOYSA-N 459.927 2.296 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 726235614 DTNHMPXSJFUXJI-UHFFFAOYSA-N 472.611 2.423 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H](c1ccccc1)N1CCSCC1 746837262 XSFKLXPPBYPHEU-QFIPXVFZSA-N 459.637 2.328 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(N4C[C@H](C)O[C@H](C)C4)cc3)CC2)cc1 747562419 TYNBXIWIVJYHBT-OYRHEFFESA-N 495.624 2.186 10 20 JECD CC(C)[C@@H](OC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C(=O)NC(N)=O 913359667 ANLRMDAHAYJMHC-FWLQQBITSA-N 455.583 2.492 10 20 JECD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCc2ccc(N3CCCC3)cc2)c1OC 915082454 KELVLHWEDRUGFT-UHFFFAOYSA-N 489.594 2.255 10 20 JECD CCc1ccccc1-n1cnnc1SCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 916676863 HMJICOBBPAZWKO-UHFFFAOYSA-N 485.635 2.473 10 20 JECD Cc1cc(NC(=O)CN2CCN(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)CC2)no1 918220244 IYXQLWMEDYVZJE-HDICACEKSA-N 488.564 2.202 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1NC(C)=O 918442448 IFZLQCMHNSCSCN-UHFFFAOYSA-N 454.527 2.117 10 20 JECD CSCc1nc2ccccc2n1CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918643303 JIAAXWOFPPJTRI-UHFFFAOYSA-N 458.609 2.451 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CCN3C(=O)c4ccccc4C3=O)cc2F)C[C@@H](C)O1 918791691 UXKLKODWXUZOGV-IAGOWNOFSA-N 497.523 2.285 10 20 JECD CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 918915235 UIMRSHXWBCZKNA-DEOSSOPVSA-N 483.540 2.358 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cccc(CS(C)(=O)=O)c3)cc2F)C[C@@H](C)O1 919006235 RHXCZJWVOUKHAV-CALCHBBNSA-N 492.569 2.457 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(N4CCOCC4)nc3)cc2F)C[C@H](C)O1 919048090 ZIVYKUNUYQTINU-ROUUACIJSA-N 486.544 2.144 10 20 JECD O=C1COc2cc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3)c(Br)cc2N1 919730238 UKBXTFAOJRVCJB-UHFFFAOYSA-N 482.356 2.095 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCCN(C(=O)c4ccccc4)C3)cc2)C1 1318299128 YNBVXISIIDKYQR-FGZHOGPDSA-N 463.582 2.492 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1782944649 NTCUXQJUOZOVOG-JOCHJYFZSA-N 480.945 2.128 10 20 JECD CCn1nc(C)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783222331 MPTZKGFERHJUPM-FFROZUAJSA-N 484.553 2.169 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnn3ccccc13)C2 1783222352 PCYIZIQTYPSDGI-ZYHKADTASA-N 492.532 2.292 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)Cc1cccc3ncccc13)CCO2 1785504096 XBNUIRRYFVKMRH-XQOHEHAGSA-N 489.528 2.437 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)no1 1787539006 CYQCILGKCCIZBQ-ZJBJCVSYSA-N 479.537 2.184 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4cncc34)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245051 NTTQCYNNPYUSFB-RISOHXOYSA-N 470.913 2.306 10 20 JECD CCOc1ccccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1798829691 INROJUHNHRCLSK-MRSFGVLCSA-N 476.533 2.081 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)(Cl)Cl)C2)c1cc(O)c(O)c(Cl)c1 1799768435 ZBRJNLJTEAQVIB-BZBKMWRSSA-N 458.125 2.325 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccnc1S 1802507176 SCYJEQVIRLBGSS-IFXJQAMLSA-N 451.508 2.205 10 20 JECD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)nc2ccc(Cl)cn12 1804336383 SFUMKJGVXDOCBT-QDMKHBRRSA-N 492.026 2.408 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807998069 HRSSEBWDIWFQNL-LQBOVUBWSA-N 453.543 2.080 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc2n(n1)CCCC2 1809863641 GIQCVXHXLSRPDP-KSFYIVLOSA-N 462.510 2.054 10 20 JECD CSCC[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813095395 GWMFXYSVMGZFAV-SCSOZSNHSA-N 487.578 2.032 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)CCC(F)(F)F)[C@@H]1c1cccnc1 1814185847 GRHYGGZKUQLKBZ-SUMWQHHRSA-N 474.530 2.290 10 20 JECD CCc1[nH]nc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1Cl 1816722036 BSEOBUWKYRWPEP-SECBINFHSA-N 462.919 2.428 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc2c(c1)OCO2 1818459402 LWSLMWROGJAYCY-AWEZNQCLSA-N 487.563 2.305 10 20 JECD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)n1cnnn1 1822860884 YPHLLFMGBJBXRX-QMTHXVAHSA-N 460.882 2.028 10 20 JECD Cn1ncc2c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CN4C(=O)CSC4=S)n[nH]3)cccc21 1823498399 QIWOXDNJETYEMA-QGZVFWFLSA-N 497.606 2.463 10 20 JECD Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1C 1832406554 SINOIKALWNBOEK-WZSLKZGSSA-N 496.560 2.133 10 20 JECD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cnc1C 1833301958 NWJRAGMRIHKHFG-HSZRJFAPSA-N 475.929 2.147 10 20 JECD Cc1ncsc1C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835132697 FAFYVOKGKUDTKR-UHFFFAOYSA-N 494.621 2.430 10 20 JECD Cc1nc[nH]c1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1835194785 XEMMWJUFPOKPJU-UHFFFAOYSA-N 461.950 2.282 10 20 JECD CC(C)n1nccc1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838029764 INANSRJVNLDVOS-UHFFFAOYSA-N 457.531 2.196 10 20 JECD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(F)c1 1839260839 SQFQGBUMLDBMDB-CIFMFNLYSA-N 486.496 2.034 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)cc1 1839348252 JAXJAVWEBNDCDU-VWLOTQADSA-N 480.521 2.172 10 20 JECD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C(=O)N1CCCC13CN(C(=O)c1cc(O)nc(O)c1)C3)C2 1843848067 DKTKHRMGTRNHAR-ROUUACIJSA-N 486.569 2.488 10 20 JECD COc1ccc(Br)cc1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1845281501 XEDZBMKQSVJYNA-UHFFFAOYSA-N 462.300 2.395 10 20 JECD O=C(CCN1C(=O)Cc2ccccc2C1=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845500522 LAQLTRFSKAFFIZ-UHFFFAOYSA-N 497.935 2.183 10 20 JECD Cc1ccc2nc(C(=O)N3CC4(CCCN4C(=O)CN4C(=O)CSC4=S)C3)ccc2c1 1847054556 SANSKMVCMGSTDP-UHFFFAOYSA-N 454.577 2.221 10 20 JECD Cc1cc(C)c(OCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CSC2=S)c(C)c1 1847736646 OCAHQFLQCGXKAI-IRXDYDNUSA-N 461.609 2.053 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(C(=O)NCC(F)(F)F)CC2)c1 914570614 WJVVVZYGTDVBEI-UHFFFAOYSA-N 457.493 2.318 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2F)C[C@H](C)O1 917170538 KJDXWFRAABPDNV-KBPBESRZSA-N 470.457 2.260 10 20 JECD CN(CCCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)S(=O)(=O)c1ccc(F)cc1 917832634 DRLPPCSSVCONRZ-LJQANCHMSA-N 490.601 2.245 10 20 JECD Cc1cc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)c(C)o1 918121240 GBEYMNCUOGLTNX-HXUWFJFHSA-N 467.570 2.266 10 20 JECD NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)c2)CC1 918266508 ODDKHWUPQOVMPV-UHFFFAOYSA-N 463.582 2.239 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnn(-c2ccccn2)c1C(F)(F)F 918337077 DQZUADULBRGKKZ-UHFFFAOYSA-N 479.484 2.451 10 20 JECD COc1ccc(-n2c(C)cc(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)c2C)cc1 918571559 FDLFKJDYNMCMCY-UHFFFAOYSA-N 497.621 2.380 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C[C@H]3Oc4ccccc4NC3=O)cc2F)C[C@@H](C)O1 919001592 TXTOJJJVYDIPBP-ZMPRRUGASA-N 485.512 2.389 10 20 JECD O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc(N2CCC(O)CC2)c(F)c1 919970871 HBWZPEQNQVKKNN-UHFFFAOYSA-N 454.502 2.169 10 20 JECD COC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1781119511 LRHKQCNVDFXJNZ-OOFCAGAZSA-N 494.972 2.468 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4cccnc4)cc3)C2)C1 1781451226 LPCJIJMMTGKUDM-RUZDIDTESA-N 460.490 2.312 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4cccnc4)cc3)C2)C1 1781455774 GHCISBZVQJLRLS-DEOSSOPVSA-N 496.614 2.052 10 20 JECD Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1 1781652022 STTMKPYQDVXWBL-VWLOTQADSA-N 464.497 2.371 10 20 JECD C[C@H](Oc1ccccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1782541337 RCTLICYWJGRECO-ATCQTIRPSA-N 497.548 2.193 10 20 JECD Cc1cc(F)cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)CCO3)c1 1784060190 QDFAXRRTWPNPPX-AREMUKBSSA-N 478.524 2.299 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)Cc3cc(F)ccc3F)C2)C1 1785362271 USFRSIHVICULOD-JGZGHEEISA-N 474.460 2.167 10 20 JECD O=C(COCc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1786711161 VLXAWCDKVCEDQN-ZNTKURTCSA-N 482.533 2.013 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccoc3Cl)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540101 DGNFDJCVEDHVLP-FNHZYXHNSA-N 470.913 2.319 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC=CCC3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540136 IFQAPLAWVCQZQP-JEEBJRHZSA-N 450.539 2.115 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc(F)c3F)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787541365 ITAQYFPAXLFFMC-JLMWRMLUSA-N 496.514 2.280 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(O)c([N+](=O)[O-])c1)C1=NN(c2ccccc2)C(=O)C1 1800343092 NHEKAFRGPJFNAK-VBUUOAMHSA-N 477.477 2.345 10 20 JECD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)nn1C 1803288836 FWFYQQXSQVTGPN-FQRUVTKNSA-N 499.575 2.165 10 20 JECD O=C(COCc1ccccc1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1806874054 OCCYWDIMSWDDSJ-NTKDMRAZSA-N 462.506 2.424 10 20 JECD CC(C)Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n(C)n1 1807850533 HGVKFEGKZVCXMB-SBUREZEXSA-N 478.553 2.453 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3cccn3cn2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995737 ICMLBBMGRSGQDH-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD Cc1c(Br)c(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)nn1C 1810547229 URVRNJUMTDEXMG-UHFFFAOYSA-N 492.374 2.456 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1812056801 WICKPQWNVSTJAU-MHECFPHRSA-N 499.531 2.410 10 20 JECD CCC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814130046 VFDHOQSXVPKGKT-BAORSSAKSA-N 496.564 2.222 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccn(C(F)F)n1)CC2)c1cc(O)nc(O)c1 1816725959 OUMZHEHNFYLODX-VIFPVBQESA-N 450.427 2.081 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cc[nH]c4nccc3-4)sc2C1 1816826931 NQQZGEXDWOKWGR-SNVBAGLBSA-N 486.604 2.057 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)[nH]n1)c1cc(O)nc(O)c1 1817847131 MCAZBNJILCBQBZ-LCAJTWGOSA-N 488.504 2.432 10 20 JECD CN(C)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146403 GYXFXABFOSDPCC-IBGZPJMESA-N 451.531 2.146 10 20 JECD C[C@@H]1CC[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)O1 1818739365 HDSDGTLXKKGMEJ-QVMTYEEJSA-N 459.524 2.453 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1819646301 ZEWDDDJOKCBHPS-OCCSQVGLSA-N 489.648 2.416 10 20 JECD COc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)ccc1O 1822243985 LHCWWMOWMYHYOM-GFCCVEGCSA-N 456.480 2.203 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1822573028 OBQMNVSHPDRLLU-GXTWGEPZSA-N 489.554 2.185 10 20 JECD Cn1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)cc1O 1823707865 DVNQCMAASQXYQE-SECBINFHSA-N 463.903 2.186 10 20 JECD O=C(Cc1cnc[nH]1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716209 FXVONDYQHJMZGO-JOCHJYFZSA-N 462.554 2.365 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832449016 MIEJHQGDLBVPNU-OALUTQOASA-N 480.700 2.339 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cnc4ccc(F)cn34)CC2)CC1 1838031906 ZJLZRYZLNKUQJJ-UHFFFAOYSA-N 483.500 2.206 10 20 JECD O=C(/C=C/c1cnccn1)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838811035 BJVJWNMNUCKEEK-BUSIMMOISA-N 494.548 2.319 10 20 JECD O=C(CCCc1cccnc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840512484 ZBHAYUJXPSGENG-XMMPIXPASA-N 489.956 2.239 10 20 JECD O=C(c1cc(-n2ccnc2)ccn1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501816 GQHRQXCQPHZTNX-UHFFFAOYSA-N 453.886 2.463 10 20 JECD COc1cc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)ccc1[N+](=O)[O-] 1846872545 GTXLAENIJDYUMD-UHFFFAOYSA-N 477.477 2.213 10 20 JECD C[C@@H](NNc1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O 1847274748 LGJZNRJTIWBEQA-MZAXPAKVSA-N 452.511 2.024 10 20 JECD CN1CCN(C[C@@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc2)CC1 727940405 IEYURZIWSVDGAC-ILBGXUMGSA-N 478.641 2.176 10 20 JECD Cn1nc(Br)c2c(=O)n(CC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cnc21 754551931 MYGBYJXDWTVCNM-UHFFFAOYSA-N 492.289 2.307 10 20 JECD O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)c1ccc(O)c(O)c1 916616658 JPTWDELBZGZZBK-AWEZNQCLSA-N 469.899 2.248 10 20 JECD C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)NCc1ccc(N2CCOCC2)cc1 919790149 MYFCBWOQELIOFX-SFHVURJKSA-N 465.554 2.429 10 20 JECD Cc1cc(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1-c1cccc(Cl)c1 920107660 VSIQPMHGQCSGOM-UHFFFAOYSA-N 455.902 2.352 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)C2)C1 1777788153 LVMYVRJZQZIBFZ-JOCHJYFZSA-N 456.886 2.385 10 20 JECD C[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777851000 QNIAJTQWZWYXPT-WVFSIPRWSA-N 453.539 2.499 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1Cc3ccccc3C1)C2)c1cc(O)nc(O)c1 1777851348 HDOPFWQSWIOZQD-CJFMBICVSA-N 451.523 2.035 10 20 JECD O=C(COc1ccccc1F)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1783360026 BEGZHMKQZDZRNI-JOCHJYFZSA-N 464.877 2.413 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nccnc4c3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539476 JCPQEUWDXYKOMU-WXVUKLJWSA-N 498.543 2.016 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)cc1 1787540070 ADHMGIVDCKHKHB-RRPUWOKSSA-N 460.534 2.381 10 20 JECD COc1ccc(OCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)cc1 1790242921 DHEXMKHUSKRYLA-XQAUZQBESA-N 490.940 2.432 10 20 JECD C[C@H](Sc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792237491 KITBBHIOUWKRKE-LAQRGFTBSA-N 493.676 2.007 10 20 JECD O=C(COCc1ccccc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1806880952 QISKCIRWWKHPAJ-CVDCTZTESA-N 498.630 2.165 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n[nH]1 1811477577 SCXNYIFEJMHRBE-VJZFYYHCSA-N 463.494 2.263 10 20 JECD Cc1ccc(C(=O)C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1812966646 PSIUBTZECJNURR-RXVVDRJESA-N 496.614 2.139 10 20 JECD CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)N(CC)CC 1815332012 HVCMPDJTABJTAJ-HZPDHXFCSA-N 480.660 2.383 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3noc4c3CCCC4)sc2C1 1816766785 XXENCVRNVXUPTK-SNVBAGLBSA-N 491.620 2.096 10 20 JECD Cc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)n[nH]1 1821500182 NUFXQSJDLLXIGC-CYBMUJFWSA-N 463.523 2.193 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)[C@H]1CCOC1 1822949515 FKVXJUANWGKWBW-KXBFYZLASA-N 450.499 2.231 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)CSc2ccncc2)[nH]n1 1823497247 SXNJPHTXYKWJOB-HNNXBMFYSA-N 490.636 2.449 10 20 JECD C[C@H]1CCc2c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CN4C(=O)CSC4=S)n[nH]3)n[nH]c21 1823498764 VRAPNLVIWPHKOS-SMDDNHRTSA-N 487.611 2.349 10 20 JECD O=C(CNC(=O)C(F)(F)F)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823713423 LWYRHIOUOGHAGM-MRVPVSSYSA-N 492.863 2.112 10 20 JECD Cn1cnc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)c1 1826122081 NLRGEQVQEUTQIM-FNQPIQQGSA-N 454.527 2.484 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cnccn4)CCO3)C2)cc1 1830966621 FCVWPRDNYVQFFQ-MHZLTWQESA-N 489.576 2.197 10 20 JECD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)n1cncn1 1832882864 TYHBEOFRALLVOA-NRUXISPGSA-N 469.542 2.289 10 20 JECD Cc1cccc(/C=C/C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)n1 1834985137 BJLLGCZFSKYPTQ-AATRIKPKSA-N 465.554 2.095 10 20 JECD O=C(CCCn1cccc1)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838810577 LTCMXQLAWQWIRI-UHFFFAOYSA-N 492.667 2.127 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[nH]n4)C3)C2)cc1 1839348700 HGRTWRHPSJPWNW-RUZDIDTESA-N 463.538 2.201 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)cc1 1840834546 SGWHXBAWLKEQAG-SANMLTNESA-N 465.550 2.143 10 20 JECD Cc1ccc2nc(C(=O)N3CCCC34CN(C(=O)CN3C(=O)CSC3=S)C4)sc2c1 1842567283 MJNQZZOKZRRXNV-UHFFFAOYSA-N 460.606 2.282 10 20 JECD O=C(c1[nH]cnc1-c1cccnc1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442333 BAEHDVDMUFGPKS-UHFFFAOYSA-N 469.505 2.082 10 20 JECD CC(C)(C)c1cnc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cn1 1843611066 XGNGRDZHNWXYNR-SOFGYWHQSA-N 452.511 2.421 10 20 JECD CC(C)(C)c1cnc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)cn1 1847037331 LSRJGKCRSKVTQT-SOFGYWHQSA-N 452.511 2.421 10 20 JECD CN(C)CCOc1ccccc1CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 746726617 XHQGBLCZHXYNIV-NRFANRHFSA-N 453.587 2.328 10 20 JECD CN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccc(N2CCOCC2)cc1 797707472 ICIRYEXPYWMMRS-UHFFFAOYSA-N 475.611 2.055 10 20 JECD CN(C)C(=O)N1CCC(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 915443444 NGWFPSXBHOZYGJ-UHFFFAOYSA-N 463.490 2.337 10 20 JECD C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 917708674 MZZTURFTDVXYSA-RUZDIDTESA-N 466.513 2.278 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(CCOc4ccccc4)CC3)cc2)C1 918117772 IOLLILRCYSBZBX-JOCHJYFZSA-N 465.598 2.295 10 20 JECD Cc1nnnn1-c1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 918274732 LHPFVGPUTQKXAJ-UHFFFAOYSA-N 489.458 2.081 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CCn3cnc4sc5c(c4c3=O)CCCC5)nc12 919028488 SOJVTMKYPJDUIX-UHFFFAOYSA-N 497.533 2.395 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3sc(-c4ncccn4)nc3C)CC2)cc1 919438675 BEWVZUYFJKQASZ-UHFFFAOYSA-N 453.524 2.423 10 20 JECD CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)c3ccc(OC)c(OC)c3)CC2)cc1 920418860 VFAYSALKTBGUMR-UHFFFAOYSA-N 477.583 2.072 10 20 JECD COC(=O)CNC(=O)Cc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 920871221 FYQINESVQDHPRC-KRWDZBQOSA-N 454.527 2.238 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)c1ccccc1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126546 ZXRDDPMIIOCLOF-RWCIVJTCSA-N 490.560 2.027 10 20 JECD Cc1nnc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)s1 1781122861 WSPDQRUWGQLDOX-IIBYNOLFSA-N 480.974 2.281 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)cc3F)C2)C1 1783380876 KURLOXCVGDGTMO-FBUBFAHDSA-N 474.460 2.167 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cccc3cc[nH]c13)CCO2 1785505372 GNWXQXBOTSNVSC-NHDFZSDJSA-N 463.490 2.442 10 20 JECD Cc1snc2sc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)cc12 1787291162 LAEXLARBYAFSLF-CQDKDKBSSA-N 474.564 2.380 10 20 JECD COC(=O)[C@H]1CCC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)C1 1791246256 AMMHVJOQVWUWMR-LTOAOAETSA-N 494.972 2.324 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccccc1Br)C2)c1cc(O)nc(O)c1 1796140307 JUUZMVZHLAECFY-CTSHNCOSSA-N 488.338 2.172 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-c3cc[nH]n3)cc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480685 FMXVEZVLVYQXSJ-NXKWYNOOSA-N 498.543 2.073 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccccc3)no1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480698 MYYUQYPCVXZOPT-HBNMSFMJSA-N 499.527 2.338 10 20 JECD CC(C)n1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)c(C(F)(F)F)c1 1796554853 XFVVOFMBZYAXEU-HBCWATKFSA-N 482.459 2.411 10 20 JECD CC[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)NC(=O)OC(C)(C)C 1796604830 QENVEUKVXLMJQQ-WCXIOVBPSA-N 462.547 2.438 10 20 JECD C[C@@H](NNc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796932051 HROMPHPWYRNRPO-CMCXCUNFSA-N 474.565 2.423 10 20 JECD Cc1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c(C)s1 1799767507 UXNNYPUFAMNBQC-HBCWATKFSA-N 465.959 2.270 10 20 JECD COc1cc(C)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802082623 WNLGWGPVVBIVOC-KWIBEYCFSA-N 468.506 2.037 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2CCC(CO)CC2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994763 ZPOVLTKKVWKOHT-MNXHBVJMSA-N 454.527 2.006 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2snnc2C2CC2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994811 BZLREOOKZSYWOK-IFXJQAMLSA-N 466.523 2.250 10 20 JECD COc1ccnc(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)c1OC 1810546323 CRYDYDWPNQZGAR-UHFFFAOYSA-N 456.499 2.064 10 20 JECD Cc1ncncc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1810969478 XDSCPNGSTOWYAE-DVECYGJZSA-N 483.532 2.293 10 20 JECD CNc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1814186849 YRCIGGYPTVCYEV-DYESRHJHSA-N 483.619 2.303 10 20 JECD COC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815305559 MJKAVKIBGOKUNF-DNVCBOLYSA-N 452.515 2.477 10 20 JECD O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722592 PNRQNLITIVGIRV-CYBMUJFWSA-N 468.491 2.147 10 20 JECD Cn1nc2c(c1C(=O)Nc1cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n1)CCC2 1821528635 MEQORAABFWUUFP-MRXNPFEDSA-N 451.487 2.058 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ncc(Cl)cn2)[nH]n1 1823496932 RCIGMONUHCTONS-LBPRGKRZSA-N 479.975 2.019 10 20 JECD C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708227 OJCAAODYSHPXQZ-ONGXEEELSA-N 487.987 2.114 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 1825714899 SKLOTDGAUCAOHO-YXOJNZSOSA-N 468.510 2.246 10 20 JECD Cc1nccn1CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1826697810 FTNJSAIQIXSKIT-CQSZACIVSA-N 456.528 2.160 10 20 JECD O=C(/C=C/c1cnccn1)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1827020880 IJTRCPFCBBQOSA-UMHIICLLSA-N 479.518 2.389 10 20 JECD Cc1cc2nnc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)c(C)n2n1 1828148771 PINIOJOOFMVKON-SFHVURJKSA-N 479.541 2.094 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3nccnc3c1)CC2 1828245105 ZCUBCWYUQLALAI-GFCCVEGCSA-N 498.615 2.172 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1cn2ncccc2n1 1835395258 QZNUNDWIFQEEDJ-UHFFFAOYSA-N 498.971 2.293 10 20 JECD O=C(/C=C/c1cccs1)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1835965541 KQOVNAYUMSWNJH-REJWQLKLSA-N 494.573 2.011 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncsc3[nH]1)CCO2 1837752783 GAKXNLVJYZCLLP-NRFANRHFSA-N 492.941 2.073 10 20 JECD Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)c(C)s1 1839431849 QXTDAPYGZNTZTP-JOCHJYFZSA-N 495.985 2.137 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC=CCC3)C2)C1 1839432691 XAKMANYEBMXBCC-IVZQSRNASA-N 450.919 2.178 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1839433492 JTABFHPBFMLUEM-QHCPKHFHSA-N 486.912 2.011 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)c1cnco1)C2 1844251593 JWOUCIFFBNZDKN-INIZCTEOSA-N 486.525 2.039 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCCN(C(N)=O)C3)c2C)c1 10598730 FKJMYYGJOZKHMH-INIZCTEOSA-N 499.520 2.184 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(NC(=O)OC(C)(C)C)nc3)CC2)cc1 727615599 MNEFMJBWRBFQFT-UHFFFAOYSA-N 498.584 2.314 10 20 JECD C[C@H](OC(=O)c1cc(S(N)(=O)=O)ccc1F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 825157965 FUQCVIUGERIQAL-LBPRGKRZSA-N 496.472 2.433 10 20 JECD CC[C@H](C)C(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 825331194 ZZSCPFZAKAABSY-PFSWGADMSA-N 450.538 2.322 10 20 JECD CCCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 857494061 HVNZKYWCOUZNOD-UHFFFAOYSA-N 458.584 2.437 10 20 JECD CCNC(=O)[C@@H](C)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 914438418 XDTGGMOLTVZCSX-SEEODLKFSA-N 456.387 2.291 10 20 JECD NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 916233874 OZNRRTYIHPAJKC-JOCHJYFZSA-N 453.612 2.294 10 20 JECD CCN(CC)S(=O)(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)CC1 917080863 MHTGCEAJGMGNRY-UHFFFAOYSA-N 490.626 2.268 10 20 JECD C[C@@H](OC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 917814005 IZIUSHDFIODGIE-IAPMHYQASA-N 498.491 2.139 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCCNS(=O)(=O)Cc3ccccc3)cc2F)C[C@@H](C)O1 918211810 FJWCIZOIAQNEDS-HDICACEKSA-N 478.590 2.358 10 20 JECD O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)NCc1ccc(N2CCOCC2)c(F)c1 918819258 MKUMIZYOKKNNAG-UHFFFAOYSA-N 486.468 2.132 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccccc3S(=O)(=O)N3CCCCC3)nc12 918822660 LFUPJHJMWNPPGC-UHFFFAOYSA-N 488.522 2.143 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CN(C)C(=O)c3cccs3)cc2F)C[C@@H](C)O1 919088781 SZFKCXLYSKQHBX-HZPDHXFCSA-N 477.558 2.432 10 20 JECD CCn1c(=O)n(CC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c2ccccc21 919697617 COLGKXFZKLOSND-UHFFFAOYSA-N 489.555 2.395 10 20 JECD COc1ccc(CCN2C[C@@H](C(=O)NCc3ccc(N4CCOCC4)cc3)CC2=O)cc1OC 919766839 ZUSUUNQHDGEPEU-NRFANRHFSA-N 467.566 2.248 10 20 JECD COc1ccc(CCC(=O)N2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)cc1 921061300 FFONOVQDGVKAEX-UHFFFAOYSA-N 452.599 2.497 10 20 JECD O=C(/C=C/c1cc2ccccc2o1)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1778115640 WFUFQJMDNAJARH-AWUSRGSFSA-N 485.587 2.136 10 20 JECD O=C(C[C@H]1CNc2ccccc2O1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1778931094 HLCMUNNHMMFKDR-FYSMJZIKSA-N 487.940 2.458 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1CCC=CO1 1779347995 LFXLOGFQTYAZTN-IOOSNJGYSA-N 458.511 2.023 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1781239802 FAEXPYOHKPQMHV-DEOSSOPVSA-N 487.940 2.450 10 20 JECD O=C(Nc1ccc(C2(NC(=O)[C@@H]3CCCS3(=O)=O)CCC2)cc1)C1=NN(c2ccccc2)C(=O)C1 1788674019 MNSULNKHUVRELV-NRFANRHFSA-N 494.573 2.491 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccccc1F)C2)C1=NN(c2ccccc2)C(=O)C1 1796482492 AWCQWLDHCFTSBG-HBNMSFMJSA-N 478.524 2.141 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796931215 VFVSSBRHFPTXKS-APWUFGDNSA-N 485.588 2.474 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1occc1Br 1797012459 FGFWMWQCEKHMFA-JGPRNRPPSA-N 472.386 2.154 10 20 JECD CCCc1onc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1797088759 TTWQNHFVZWIJNH-BTTYYORXSA-N 450.586 2.048 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccc(O)cc3)CC1)C2)c1cc(O)c(O)c(Cl)c1 1799767115 RFJUXEDMPRLPOJ-YVWYUNDQSA-N 472.925 2.392 10 20 JECD COc1ccc(F)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1801728643 WVJLTPXTHOKPDZ-DBWKPXFBSA-N 464.877 2.416 10 20 JECD C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O)Oc1ccccc1 1802079439 JIKDNADXLKWSPU-IMEVERKTSA-N 482.533 2.264 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n[nH]1 1807993923 AGTDKKTVELAMIF-VFNWGFHPSA-N 450.499 2.368 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc2c[nH]nc2c1 1808056834 FHWVWVPHSDDNKR-DYESRHJHSA-N 494.602 2.138 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)n1ccnc1 1808463183 AEAKDGPNHMMRCU-FPGHNAPASA-N 485.548 2.338 10 20 JECD CC(=O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808464683 NVGGOHXALSROPH-WMZHIEFXSA-N 475.549 2.496 10 20 JECD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)no1 1813334474 HQKMYUJLYJBDAM-WXYAUJHGSA-N 478.505 2.457 10 20 JECD COc1ccc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)nn1 1814164303 YCOKMCVJERBGJP-VZUGXPBKSA-N 491.504 2.030 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)/C=C/c2cccc(O)c2)[C@H]1c1cccnc1 1814190308 WLIPSDDBJJZGHZ-KUSROVSMSA-N 496.614 2.367 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)cnc1O)CC2)c1cc(O)nc(O)c1 1816717475 SVVHWDPLFRVVPL-JTQLQIEISA-N 461.887 2.243 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817847370 XYVBCODVUVAQCP-IUODEOHRSA-N 474.518 2.435 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cccn4cncc34)sc2C1)c1cc(O)nc(O)c1 1819312205 RAWQYQHIXKHLDU-LBPRGKRZSA-N 450.480 2.137 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821291028 OZBRDJDDCFZYLB-OAHLLOKOSA-N 499.915 2.034 10 20 JECD C[C@H](Oc1ccccn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822775541 VOODVHSUNJXNHK-BBRMVZONSA-N 452.471 2.384 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1825579985 HDBFJKCWQIIBTO-DYVFJYSZSA-N 453.524 2.027 10 20 JECD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)n1ccccc1=O 1827428595 YISIUWLMRAJKRK-APWZRJJASA-N 454.527 2.149 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCCSC3)sc2C1 1828163550 MXZWXCVENBQNRR-MNOVXSKESA-N 470.667 2.059 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cn3ncccc3n1)CC2 1828199522 XFCWXFKQIMHXGM-GBVBUYCNSA-N 492.517 2.242 10 20 JECD CCc1oncc1C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1834311348 HSVLTBOZEOOKDY-UHFFFAOYSA-N 492.580 2.215 10 20 JECD COc1ccccc1C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838573323 ZAKRKYRRIQVEFG-UHFFFAOYSA-N 491.635 2.168 10 20 JECD Cn1cccc1C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1842363155 ZKDDFLHNMAVOCJ-GOSISDBHSA-N 498.580 2.389 10 20 JECD COc1cccc(OC)c1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442400 HXOFCCPLAUJHSF-UHFFFAOYSA-N 462.506 2.314 10 20 JECD CC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251605 KYMAJVRZKSTBTG-GOSISDBHSA-N 489.569 2.106 10 20 JECD Cc1ccc(C(=O)OCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c(O)c1O 727004971 AQRNGMHTOQZZFH-UHFFFAOYSA-N 474.535 2.327 10 20 JECD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cc(OC)ccc3O)CC2)o1 728978108 MHABTEAOESYZOM-CQSZACIVSA-N 480.539 2.449 10 20 JECD CNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1 915416398 FAVIRZZMMHDZCU-LBPRGKRZSA-N 482.470 2.147 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)cc2)C1 918038816 ZYVUPSQGQNKBQE-HXUWFJFHSA-N 465.554 2.182 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(C(N)=O)c(Cl)c3)cc2F)C[C@@H](C)O1 918287347 QABSXZQOPAKSHZ-CHWSQXEVSA-N 462.909 2.447 10 20 JECD Cc1nn(C)c2ncc(NC(=O)C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc12 918287624 QWWSSZBZZOCGHL-ZIAGYGMSSA-N 454.506 2.284 10 20 JECD CCn1c(=O)n(CC(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c2ccccc21 919035264 QMTPCPUEUJYZET-ROUUACIJSA-N 498.555 2.435 10 20 JECD COCCn1cc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccc1=O 919577017 NYGDRMOYONIILP-UHFFFAOYSA-N 460.442 2.066 10 20 JECD Cc1cc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(Br)c1 1317945550 SREXQZYNQYOUCF-OAHLLOKOSA-N 469.357 2.317 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnc(Br)c1)C2)c1cc(O)nc(O)c1 1777851173 RHDIXCUTJXKSFE-QVKFZJNVSA-N 491.342 2.092 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnc(O)nc2O)CCO3)cc1 1781754261 XFDAJYFUKPORIW-VWLOTQADSA-N 477.521 2.053 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1782944656 NTCUXQJUOZOVOG-QFIPXVFZSA-N 480.945 2.128 10 20 JECD Cc1cc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)ccn1 1785124803 HGPMUVLWMPPIFP-ICPKNQAFSA-N 481.549 2.133 10 20 JECD Cc1c[nH]c(C)c1CCC(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785503241 FLBTYBUKQZHHLI-OGPASDKVSA-N 469.538 2.224 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(c2ccccn2)CC1)c1cc(O)nc(O)c1 1799862853 RXRZXLMPVYXCHS-REPLKXPHSA-N 451.527 2.056 10 20 JECD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800712904 ZGKIBHNAJCTISU-IVSAIRAKSA-N 497.976 2.279 10 20 JECD Cc1cc2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=C/c3ccc(O)c(O)c3O)[nH]c2cc1C 1802079536 HWFQZWVQYWMUFB-JDFAWGBMSA-N 492.532 2.213 10 20 JECD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1802093673 DIASEBLSXWAIJD-VTEUUUEMSA-N 493.875 2.244 10 20 JECD O=C(CCc1cncnc1)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1810076410 OJPNSNUHBHKSPP-UHFFFAOYSA-N 474.565 2.433 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3cccn(C(F)F)c3=O)CC2)C1 1810547302 WKMBXYPTVVRAFW-UHFFFAOYSA-N 462.453 2.208 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cccnn1 1810728036 ZJRTUOFWDFOTGL-SAWCTTBHSA-N 461.478 2.021 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cn2c(F)cccc2n1 1812180812 PVYPMWFNUZKJOI-NYHFZMIOSA-N 476.468 2.308 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccno2)[C@H]1c1cccnc1 1814162147 GSZMPQIQBILBMN-PEOKUMBASA-N 450.451 2.219 10 20 JECD CO[C@@H](C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccc1 1814186811 XMKSABOBBLLRBL-VLCRHTCISA-N 498.630 2.335 10 20 JECD O=C(CCN1C(=O)C=CC1=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1815473549 OBGQHPCMNPRDKQ-OAHLLOKOSA-N 487.900 2.095 10 20 JECD COc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)n(C)n1 1823476785 NLXOXBHSEYDUEO-LOWQCSRCSA-N 482.497 2.288 10 20 JECD Cc1noc(C)c1CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823496492 IGIXVZDOAVPUPV-INIZCTEOSA-N 490.611 2.500 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)CCc3cnccn3)sc2C1 1826913261 KEHYZFMRUSGKDA-NOYTZHBZSA-N 481.534 2.308 10 20 JECD COc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c(F)c1 1828247560 YMYZBMFCCWLBRH-SNVBAGLBSA-N 494.595 2.377 10 20 JECD O=C([C@H](O)Cc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899918 NXWQPRVIDLETFO-VQTJNVASSA-N 489.663 2.070 10 20 JECD CC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1837667877 WBINNIISZMNGQT-QPJJXVBHSA-N 460.527 2.184 10 20 JECD O=C(c1ccc2n[nH]cc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434308 XVABFDVZVMGOQZ-QHCPKHFHSA-N 486.912 2.011 10 20 JECD COc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2=NN(c3ccccc3)C(=O)C2)cn1 1848105131 WNWJVPKPWKNCBO-SFTDATJTSA-N 461.522 2.018 10 20 JECD C[C@H](NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)c1ccc(N2CCOCC2)cc1 116577455 ZSCOFAAHZQGFNY-IBGZPJMESA-N 457.596 2.245 10 20 JECD Cn1ccnc1[C@](O)(CCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)F 302998862 UGBKQSMKMLYRKT-OAQYLSRUSA-N 469.508 2.268 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)n2)o1 727244845 JDRZIRBMDJKYNM-UHFFFAOYSA-N 461.525 2.030 10 20 JECD CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(C(=O)OC)cc3)cs2)c1 727246134 IWFYLMMBNRXOBE-UHFFFAOYSA-N 467.550 2.306 10 20 JECD CC[C@@]1(C)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1=O 778964518 WVAKCZWKXWOKFD-ZJWNCGCPSA-N 477.473 2.053 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(CC(=O)Nc4ccccc4)CC3)CC2)cc1 916196374 CVBFJUIWNYRIHU-UHFFFAOYSA-N 494.640 2.173 10 20 JECD Cc1cc(C(=O)NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c(C)n1-c1cccc(Br)c1 916789382 VQXATAHRWTYVCE-UHFFFAOYSA-N 479.356 2.413 10 20 JECD CN(C)c1c(Cl)cccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918464577 BFDAXUQZYBODMP-MRXNPFEDSA-N 457.962 2.363 10 20 JECD Cc1nc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)nc(O)c5)CCO4)C3)ccc2s1 1777938795 GDUJRVMOPODRND-QFIPXVFZSA-N 454.508 2.168 10 20 JECD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc(C(F)(F)F)c1 1782142705 ABXZZEAFMKNRNR-NRFANRHFSA-N 481.427 2.278 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4c(Cl)cccc34)C2)C1 1782458463 TVQXFIZHVQRLKT-OAQYLSRUSA-N 493.010 2.125 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)cc1 1783981138 NQUKOHKDNPFSSB-QHCPKHFHSA-N 492.498 2.216 10 20 JECD COC(=O)CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1784049496 YMGQLXHWLINWFT-QFIPXVFZSA-N 468.934 2.318 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ncn(-c2ccccc2)n1 1787585354 RYWYNPODDJMMDM-VHFSOBRXSA-N 497.939 2.239 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)c(OCc2ccccc2)c[nH]1)c1cc(O)nc(O)c1 1794515154 BJPVVBMAQOQIGS-REPLKXPHSA-N 490.516 2.326 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccoc1C(F)(F)F)C2)C1=NN(c2ccccc2)C(=O)C1 1796479323 ATDYKXIHZZOYGW-HBCWATKFSA-N 490.438 2.295 10 20 JECD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)ccc1O 1796933182 XRCNNCZCNPLKTP-GGPHIMKMSA-N 462.506 2.446 10 20 JECD CC(=O)N[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc(F)cc1 1799824702 LAPOPMHUIKJVDX-LVOLBUMJSA-N 497.523 2.471 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc3C1)C2 1802079711 SPWPYRGACUWSKL-FFMJMOGRSA-N 478.545 2.211 10 20 JECD Cc1cnc2c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)/C=C/c3ccc(O)c(O)c3O)cnn2c1 1804286479 ZIEFIAFBFXWJEO-ZURAMSNBSA-N 463.494 2.120 10 20 JECD Nc1ncc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)s1 1807277319 OHBQXXQKYJMGRS-UVKZZVNJSA-N 481.534 2.270 10 20 JECD COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1O 1807991240 GCYXPEBWSUCNTL-BXKMTCNYSA-N 478.505 2.164 10 20 JECD Cn1c(C(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)cccc1=O 1811797481 GIATUTOJZLUYJC-VFNWGFHPSA-N 482.924 2.478 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2nc3ncccn3n2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811804271 UHVOBNWGHSUEON-KSSFIOAISA-N 493.911 2.217 10 20 JECD Cc1cc(C)n(CCC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n1 1813305498 QDDNYCINZHSCAO-JPYJTQIMSA-N 464.526 2.111 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)Cc2cccc(F)c2)[C@H]1c1cccnc1 1814185916 ICWMPKIHDHQICK-VGSWGCGISA-N 486.594 2.330 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc[nH]c3nccc2-3)[C@@H]1c1cccnc1 1814189262 NXVYOEULKQROQG-MGPUTAFESA-N 494.602 2.089 10 20 JECD O=C(CCC(F)(F)F)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1814441218 BQHOFDKBRYXYEX-QMMMGPOBSA-N 466.532 2.258 10 20 JECD CC[C@H](C)[C@@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1814851628 AUUODDQFWKLSFR-PJSUUKDQSA-N 468.583 2.221 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2)c1cc(O)nc(O)c1 1816728267 DGYKKVUFHVOCCM-JTQLQIEISA-N 495.477 2.273 10 20 JECD CN(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)nc1 1817844055 NPTVIJOYGLMITC-QGZVFWFLSA-N 451.487 2.297 10 20 JECD CC[C@@H](NC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146574 QSKFFKFATAHFGT-VQIMIIECSA-N 451.531 2.193 10 20 JECD CC(C)(C)n1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)n1 1828240144 NZMKFMSIBRNMRG-NSHDSACASA-N 492.652 2.181 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)CC1 1838031498 ITSHMROTDKIMEE-UHFFFAOYSA-N 465.510 2.295 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)c4ccco4)C3)C2)cc1 1839348974 WUOULMAKSSAKJC-IGKIAQTJSA-N 493.560 2.491 10 20 JECD Cc1ccc([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1839948742 GAOMZOLJCSNUQS-KIVJQPFTSA-N 496.560 2.385 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)CN2CCc3sccc3C2)C1 1841936129 SKEQEQKSMLHUNG-HWKANZROSA-N 469.563 2.140 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cc(F)cnc2Cl)C1 1844432129 JEDGNTCQXNJBQI-UHFFFAOYSA-N 455.877 2.484 10 20 JECD CCCCC(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 25454456 OPNZCCGIDJOBMS-MHWRWJLKSA-N 450.538 2.466 10 20 JECD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 499963702 OVHCMJVZHMJFMS-UHFFFAOYSA-N 473.576 2.106 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3ccccc3S(N)(=O)=O)ccc21 728639322 OZAJCRLXMQTIKI-UHFFFAOYSA-N 459.524 2.347 10 20 JECD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2)cc1 914688932 NPSHIOMMZRTELI-UHFFFAOYSA-N 486.531 2.126 10 20 JECD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1Cl 918293999 ANTBKZFXVYEXRI-QGZVFWFLSA-N 495.985 2.442 10 20 JECD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 918309265 VNWFGAISMFVBKG-UHFFFAOYSA-N 474.583 2.456 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)NS(=O)(=O)c3cccs3)cc2F)C[C@@H](C)O1 918633239 JEQJEVUFYRTMFR-ZNMIVQPWSA-N 455.577 2.484 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 919818034 YLQRGQFSYALNIF-UHFFFAOYSA-N 452.920 2.303 10 20 JECD Cc1cc(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(Br)cc1 920289793 BXMQPDYNGSVSJW-MRXNPFEDSA-N 482.400 2.232 10 20 JECD CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O 920637472 HBAYWZWOTKIJSZ-UHFFFAOYSA-N 477.539 2.106 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 920677059 ADWDGRCKJCMDOM-IJFZUYQYSA-N 492.576 2.058 10 20 JECD O=C(COCc1ccccc1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782001327 JFRJGXPNEAHKKB-QHCPKHFHSA-N 460.914 2.412 10 20 JECD Cc1c(Br)ccc(F)c1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1782080529 WIPLQSXLEHADOB-OAQYLSRUSA-N 494.317 2.460 10 20 JECD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1782969209 BNWJJJABUVLGSE-QFIPXVFZSA-N 493.875 2.485 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)[C@@H]1CCc2cccc(Cl)c21 1790691037 IPIDFXUBCRVEKV-RUENVJTFSA-N 471.941 2.470 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)[C@H]1CCc2cccc(Cl)c21 1800328891 HMNHWJJVNPWYNC-YJXLLHPSSA-N 457.914 2.079 10 20 JECD O=C(COC(=O)C(F)(F)F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800717819 AAZPXSWMUKPIBL-JGPRNRPPSA-N 450.797 2.109 10 20 JECD O=C(COC1CCCCC1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1802912721 DFSGAOIKAXBXIA-VGOFRKELSA-N 490.651 2.297 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1nccc2[nH]ccc12 1808087391 RSZHSOWUEMQEMJ-NYHFZMIOSA-N 458.478 2.398 10 20 JECD Cc1nnc(CC(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)s1 1814164010 OZUSNLWPEWDSFP-FERYEXAHSA-N 495.561 2.320 10 20 JECD Cc1ncsc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816492537 FJJNITHQPGVVAB-LBPRGKRZSA-N 464.598 2.341 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]c3ccccc13)CC2)c1cc(O)nc(O)c1 1816725972 PRNHRLKODBNHAU-LLVKDONJSA-N 450.480 2.365 10 20 JECD Cc1nccn1CCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728512 RKSMKEYLWTYXOK-CQSZACIVSA-N 456.528 2.160 10 20 JECD CCOC(=O)O[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361850 IWNRVALJUAUQJG-KBPBESRZSA-N 499.549 2.410 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccnn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147294 XANQXEXWVOPEDL-IBGZPJMESA-N 458.482 2.299 10 20 JECD CN1CCN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CC1 1821291784 FADSSCWNGRUDIV-QGZVFWFLSA-N 476.965 2.028 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccnc2)[nH]n1 1823476694 MNHFQCAUWDETIE-YERXGYGTSA-N 452.471 2.129 10 20 JECD CC(=O)N[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)C(C)(C)C 1824361771 YEWWJEMHFSPSMX-WIYYLYMNSA-N 460.575 2.277 10 20 JECD CCc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc(C)n1 1828244330 BIVRAFWPWIGIHJ-AWEZNQCLSA-N 489.648 2.495 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCC=CO2)CC1 1828900096 OCNFUQPHINNFLV-IAGOWNOFSA-N 451.614 2.159 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(F)(F)C1)CCO2 1829655568 HXQSFCNNKXPERX-XCLFUZPHSA-N 474.888 2.257 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CC1)c1cc(O)nc(O)c1 1834986032 VMOAOSAOZLETMB-UHFFFAOYSA-N 497.552 2.219 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)cc1 1838338198 RSHJYFANUGGIMP-HHHXNRCGSA-N 490.560 2.111 10 20 JECD O=C(Cc1cccc(Cl)n1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431790 NADRIDMYCZFZKT-QFIPXVFZSA-N 496.347 2.112 10 20 JECD CCC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)n1cccc1 1840881036 ZNBKMHFUMUJHET-QAORKJTDSA-N 499.564 2.116 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(c2ccccc2)C(=O)C1 1847567853 HYHVFEZPTAHUBO-VDGAXYAQSA-N 483.569 2.142 10 20 JECD COCCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 109702009 BOTBKNKNJNDLEF-JOCHJYFZSA-N 475.611 2.499 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NCCn1cncn1 726538049 UYHPUZZPNWANFM-QPEQYQDCSA-N 452.359 2.058 10 20 JECD CCCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 727834195 KVYMBRYTXVOTNA-IBGZPJMESA-N 459.568 2.434 10 20 JECD COc1ccc(N2CCCN(C(=O)NCC[C@@](O)(c3nccn3C)C(F)(F)F)CC2)cc1 918063802 YQSIQFCZSSBSHX-HXUWFJFHSA-N 455.481 2.491 10 20 JECD CNS(=O)(=O)c1ccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1 918199543 GKLDEPBWCVYZOY-ZIAGYGMSSA-N 470.592 2.408 10 20 JECD CCOc1cc2c(cc1NC(=O)C(=O)NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)O[C@H](C)C2 918463948 PUNRBHPHLWOTOH-SJLPKXTDSA-N 480.565 2.365 10 20 JECD Cc1cc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1525174961 UAZCGVPOOGKSMM-MRXNPFEDSA-N 458.565 2.328 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CC[C@@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)c2c1 1778509567 PWNXTBXHGSOLAT-QXSXQTJGSA-N 493.516 2.450 10 20 JECD O=C(COc1cc(Cl)ccn1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1779233082 KSFNBMGOSPUKKW-OAQYLSRUSA-N 482.320 2.322 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1779450176 ZPGSVPFWFKOPMJ-WYAMSBGYSA-N 477.876 2.148 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(CO)on4)C3)C2)cc1 1780394574 BESJMOANUPNHNL-VWLOTQADSA-N 464.522 2.332 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](C)NC=O)C2)cc1 1780724987 HOXCUVUMSBSHJE-ROSOWXQZSA-N 466.582 2.356 10 20 JECD Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c(F)c1 1781493653 XTBBWFMNMBXQAJ-RUZDIDTESA-N 464.497 2.371 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)CCCc3cccnc3)C2)C1 1784672918 AHJRYHHHXBDOTN-CFSVISAESA-N 467.522 2.064 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)C[C@@H]21)c1cc(O)nc(O)c1 1787294612 XWAMBBNTSREEBB-JVPBZIDWSA-N 471.941 2.471 10 20 JECD CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)[C@H]2C1 1787399906 YSOYUOWNBDEPAJ-WJMWBRGCSA-N 474.602 2.094 10 20 JECD Cc1ncsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790242208 VDQAUIAGMKSFEZ-RBOXIYTFSA-N 451.932 2.423 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc2occ(Cl)c2c1 1798612730 HEUAMAZSKRZTBO-VTEUUUEMSA-N 457.870 2.409 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(Cl)s1)C2)c1cc(O)c(O)c(Cl)c1 1799769452 MACSWXUIAITGKM-WDAIWFPHSA-N 458.323 2.378 10 20 JECD COc1ccc([C@@H]2C[C@@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1 1802078794 HZYKBGMPDPUAJF-GJEICBNISA-N 494.544 2.219 10 20 JECD CSCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1803630202 MNVYRQBCGRBMEQ-YJBOKZPZSA-N 480.681 2.337 10 20 JECD O=C(CCCc1ccncc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1804602708 XUJQPQUIWONBDC-CVDCTZTESA-N 497.646 2.366 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c21 1807994266 FIMHBVOBIIMVII-BTYIYWSLSA-N 488.504 2.114 10 20 JECD Cc1nc[nH]c1CSCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807996537 VDJJMOOLMCTHLB-KSFYIVLOSA-N 482.566 2.172 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cn2cnc3ccccc32)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999127 RLKPPMPCSCUVNM-BXKMTCNYSA-N 472.505 2.257 10 20 JECD Cc1nccnc1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1811090484 WPAXKQPZZMAPGG-NTPDFONASA-N 475.505 2.330 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1cc(O)nc(O)c1 1817845473 NCXLPTBVURTMSS-SFHVURJKSA-N 489.492 2.315 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccc(-n2cccn2)nc1 1819882921 QGDBLPZLUVCMAB-QGZVFWFLSA-N 474.481 2.416 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)Cc2cscn2)CC1 1827129055 VRMYKCDVHWTYDC-MRXNPFEDSA-N 466.654 2.166 10 20 JECD C/C(=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)C(=O)O 1827717638 RCFXAFFPAFQBJN-NUTQULCTSA-N 466.538 2.430 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cn3cccnc3n2)CC1 1828564675 NBAOJLANKLMAMG-GOSISDBHSA-N 450.499 2.083 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1c[nH]c2nccc-2c1Cl 1835024726 WAWRUNFDMLIHKN-UHFFFAOYSA-N 498.971 2.473 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nc[nH]c3c1)CCO2 1836933015 DYSAIRZQFLZBPT-HSZRJFAPSA-N 486.912 2.011 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc4[nH]ccc4n3)CC2)CC1 1838029898 NXHJMMAIHAEIKG-UHFFFAOYSA-N 465.510 2.295 10 20 JECD O=C(/C=C/c1cnc[nH]1)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838111941 VYCIXVIKGZAWGP-VOTSOKGWSA-N 490.564 2.214 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)c1)CCO2 1838912182 LFAVPFCAEFHICO-QFIPXVFZSA-N 464.877 2.274 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)cc1F)CCO2 1839007360 XWSXWSUYOQZAKD-QFIPXVFZSA-N 482.867 2.413 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccn4)C3)C2)cc1 1839349024 ZZQHAJZRLYQOIV-AREMUKBSSA-N 475.549 2.268 10 20 JECD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1846962457 VELBCJUKSMRQJN-SFHVURJKSA-N 483.569 2.286 10 20 JECD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1847831171 CMYOQIJCQHMWCJ-ODQRPKBASA-N 488.629 2.313 10 20 JECD Cc1nn(C)cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1847913212 VZXNQDPOAOSABP-FSSWDIPSSA-N 496.612 2.262 10 20 JECD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 589570828 WGCWAYNRFSIHEY-CQSZACIVSA-N 461.565 2.133 10 20 JECD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 729522821 UKFPJMHJPHEBHH-HXUWFJFHSA-N 489.502 2.447 10 20 JECD CN1CCCc2cc(CNC(=O)c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)ccc21 746808468 DMROIJSPIBDOAL-UHFFFAOYSA-N 496.589 2.274 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3sccc3S(=O)(=O)N3CCCC3)CC2)cc1 824968710 HIFNVPGNKCVQMG-UHFFFAOYSA-N 493.607 2.047 10 20 JECD COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3cc(Cl)c4c(c3)OCCO4)CC2)cc1 912934589 RPMGIMYLPZQBFM-UHFFFAOYSA-N 480.970 2.383 10 20 JECD C[C@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C(=O)N1CCC[C@@H](C(N)=O)C1 913361803 RWGUCGODVYNLHA-DWSHKFMRSA-N 495.648 2.385 10 20 JECD C[C@H](NS(=O)(=O)c1cccs1)C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 915019265 BIGKDFVVIVKJEQ-ZDUSSCGKSA-N 498.538 2.372 10 20 JECD CCOc1ccc(CN2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 916994690 BIPFYOWETXMTHA-UHFFFAOYSA-N 470.589 2.495 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)COc3cccc(NC(=O)C4CC4)c3)cc2)C1 917835039 XXJTXYCZULYDQL-LJQANCHMSA-N 450.539 2.432 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)cc2)C1 917835848 FOFHQGLDCUXKRM-UYAOXDASSA-N 490.651 2.309 10 20 JECD COc1cccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)c1 918223713 IHRBGAJIZRJLMB-UHFFFAOYSA-N 456.518 2.339 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C 918303867 LVNZNQIBRGDXIT-UHFFFAOYSA-N 456.543 2.459 10 20 JECD Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)C2)cc1 918337821 OTRRJNVDSOPNOU-JOCHJYFZSA-N 469.607 2.398 10 20 JECD CC[C@@H](C)NC(=O)CCNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 918363481 YPUJHZQTDOAQHO-CYBMUJFWSA-N 464.500 2.136 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 919767209 IAMQKZKXWFRJIT-QFIPXVFZSA-N 488.566 2.291 10 20 JECD COCCn1cc(NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)ccc1=O 1115903000 VAMNBALEICRERC-UHFFFAOYSA-N 481.532 2.072 10 20 JECD O=S1(=O)CCN(c2ccc(CNS(=O)(=O)Cc3ccc(Br)cc3F)cc2)CC1 1350011549 NXIDURZOHVESJX-UHFFFAOYSA-N 491.404 2.443 10 20 JECD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)N1C[C@H]2C[C@@H]2C1 1779255024 ACSUKMWGFXRDRO-SVZQKWIASA-N 477.989 2.219 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(Br)cnc3Cl)C2)C1 1779382190 UHTVXXKISKTGQN-LJQANCHMSA-N 497.733 2.061 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc2ccnn2c1 1781348680 BNHOBXRAAZQIEJ-WNGUJASGSA-N 492.532 2.292 10 20 JECD COc1cccnc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1785243830 ITRFNTUSEGNNKR-HTZUNMPGSA-N 489.956 2.381 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)Cc1c(F)ccc(F)c1F)CCO2 1785503643 MXRHOGWCXHNDEC-NCWHABTQSA-N 492.450 2.307 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245168 WIKZLYZVGXZJKY-YHQOMNDMSA-N 497.939 2.443 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nccnc4c3)C[C@@H]21 1792219261 NPXYJRXHTSRJGN-WFUMMYSLSA-N 490.516 2.053 10 20 JECD Cc1cc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)n(C)n1 1792313850 AUHJLPMYFGMIHU-UHFFFAOYSA-N 457.581 2.337 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccc(Cl)cc3c1)C2)c1cc(O)nc(O)c1 1796140580 PUXFDCITRGDADY-VPTLXERWSA-N 468.897 2.211 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@@H]1Cc2ccccc2CN1 1796934680 SZHRMDYNPSJYPL-MALNDZBISA-N 471.561 2.132 10 20 JECD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)n(C(F)F)n1 1798680025 DAUBHWPRLLFCKF-DRXBFXEBSA-N 470.860 2.168 10 20 JECD CN1CCCn2nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(O)c(O)c(Cl)c3)cc2C1 1800719181 WLYXEPYRLIGRNS-MUJYYYPQSA-N 473.961 2.349 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1801976207 PRZRFCMTEQJTBP-NRSFXHEJSA-N 474.558 2.392 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnc3s1)C2 1802079525 HGFPNXYZMDZIQP-UUYBIMOCSA-N 481.530 2.330 10 20 JECD COC(=O)c1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)cc1 1804291721 WGFHIFBQQWXXLO-LDEDEHCMSA-N 480.517 2.484 10 20 JECD N=C(N)SCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1807130277 XKAPFENSUBTNPB-UGSOOPFHSA-N 477.974 2.483 10 20 JECD Cc1noc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)n1 1807530206 WIUVPMAODMQRJR-VLIAUNLRSA-N 471.901 2.400 10 20 JECD CC(C)(C)n1ccc(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)n1 1807673620 OYPYQPTVROOUAI-UHFFFAOYSA-N 477.656 2.343 10 20 JECD CC(C)OCC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808464010 HFNCFSOZTGNCIV-YADARESESA-N 463.538 2.305 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccc(CO)o1 1810835206 WTOKQXVKQUOBLF-HGALLEHASA-N 479.489 2.317 10 20 JECD CNc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)cc1 1814883298 DECULEDNLVQOMF-ZDUSSCGKSA-N 475.621 2.271 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)N(C)C(=O)OC(C)(C)C 1816727395 SFPLLSOEWVJPFE-DGCLKSJQSA-N 491.570 2.431 10 20 JECD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1)N1CCN(C)CC1 1821295049 YRKYQVINFCCPRK-KBXCAEBGSA-N 490.992 2.416 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CNc3ccccc32)[nH]n1 1823497694 HARBZGCCILIYFG-YOEHRIQHSA-N 484.607 2.471 10 20 JECD Cc1nnsc1C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828199468 UXSHRYRDASKJNP-KTROKBFUSA-N 473.536 2.359 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cncc2F)CC1 1829408903 SYPOAJTYPGQKMA-INIZCTEOSA-N 482.578 2.453 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)COc2cccnn2)CC1 1832193578 DUTOVBQXMZLTQB-XSBJJCPUSA-N 482.537 2.305 10 20 JECD O=C(c1cccn2nccc12)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899335 DVAQDUAHQWEGBV-SFHVURJKSA-N 485.635 2.428 10 20 JECD O=C(CCc1cccs1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833872148 IHTYYJGPBVWMOS-UHFFFAOYSA-N 458.584 2.372 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cc(C(F)(F)F)c[nH]1 1835160568 XAGCVHQNOWOVFU-UHFFFAOYSA-N 481.475 2.339 10 20 JECD CCc1cc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)n[nH]1 1837997933 OPZUUKMDOATEFT-GQCTYLIASA-N 484.553 2.415 10 20 JECD Cc1nccnc1C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838110506 RQUQSWZKHKOSBY-UHFFFAOYSA-N 490.564 2.190 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nccn4C)C3)C2)cc1 1839348856 QFWPTKGIGOFQMU-AREMUKBSSA-N 477.565 2.211 10 20 JECD C[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)CC1 1840532222 KDGVPGLYKPCTBN-IEJRPWEOSA-N 474.554 2.099 10 20 JECD C[C@H](NNc1ccccc1)C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847035068 ROGIXZBHLBJNSQ-SOGBHIHOSA-N 452.511 2.025 10 20 JECD O=C(CCc1ccc2c(c1)OCO2)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038995 IKBBJFWXIJRJFL-WEVVVXLNSA-N 466.490 2.382 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC12CN(C(=O)C1(c3ccc(F)c(F)c3)CC1)C2 1847055314 HFCXBQSUVYJECR-UHFFFAOYSA-N 465.547 2.060 10 20 JECD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 727768246 YCBXLJDNAMVHTK-CVDCTZTESA-N 477.565 2.203 10 20 JECD CCOC(=O)N1CCCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 748343381 GJFKVMJIWWZYFO-UHFFFAOYSA-N 492.510 2.406 10 20 JECD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1C(N)=O 914791483 SCBLAWKPICULIL-UHFFFAOYSA-N 466.566 2.416 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3cc(Cl)c(-n4cnnn4)cc3OC)CC2)cc1 916041043 UQAQLBSYUAAOCC-UHFFFAOYSA-N 485.976 2.275 10 20 JECD O=C(Cn1nnc(-c2ccc(Br)cc2)n1)NCc1ccc(N2CCOCC2)c(F)c1 917188531 LPXRKQSMYTYLNW-UHFFFAOYSA-N 475.322 2.395 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)cc2)C1 918001869 XYDYVCDLADFTQA-ZJSXRUAMSA-N 483.588 2.400 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cn2)CCO1 918117223 IUTABZWXSUIOPO-WIYYLYMNSA-N 466.586 2.008 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3S(C)(=O)=O)cc2F)C[C@@H](C)O1 918286702 KGFNSXBHXJOKBY-GASCZTMLSA-N 463.531 2.098 10 20 JECD C[C@@H](C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 919855169 HPPRNCSSOOCENP-YSIASYRMSA-N 494.571 2.122 10 20 JECD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1778956120 LOVSOIAKWUAZGN-RXFWQSSRSA-N 481.597 2.245 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ncccc1F 1779895728 OBQUHEDUAIPEEW-BUTSGQJWSA-N 471.485 2.178 10 20 JECD Cc1c(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc(Cl)cc1[N+](=O)[O-] 1781999715 QRKLRVVCDYZCQA-OAQYLSRUSA-N 476.873 2.120 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782001503 MTEQSVUFZWWSOQ-JLCFBVMHSA-N 460.918 2.090 10 20 JECD Cc1nn(C)c(C)c1CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1782552256 JBKXIZRXNFGKKA-HYBUGGRVSA-N 490.988 2.472 10 20 JECD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N1CC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1783247588 JZIMYVNAHZPVAB-YKFMDHBFSA-N 464.566 2.436 10 20 JECD CNc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cc1 1786830732 VKFGYDCQKUQXJV-IBWVBOCMSA-N 467.522 2.152 10 20 JECD NC(=O)c1nccnc1C(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788673863 NIYUMOSBWANMNL-UHFFFAOYSA-N 497.515 2.116 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc(C(F)(F)F)[nH]1 1788798661 NJRITBBFZQMTGA-OQEHJRJISA-N 495.454 2.457 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc(C(F)(F)F)nc1 1794807546 OSNDSCOEMMSQSU-SUNZXIKVSA-N 493.438 2.134 10 20 JECD Cc1nnc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)o1 1807478266 GQNCNBUJBBNEIG-VBKZILBWSA-N 471.901 2.400 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2nc3ccccc3[nH]2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995899 KXGQVOAESHAVDP-BTYIYWSLSA-N 458.478 2.398 10 20 JECD Cc1nc[nH]c1CSCC(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810547268 VMIUXCFRQNRFON-UHFFFAOYSA-N 459.572 2.303 10 20 JECD CCn1nc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1C 1811026189 ZTHNWICCYVOMQA-KKSFZXQISA-N 450.499 2.046 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccc(-n2cncn2)c1 1811822360 FESWVYBBLRUUPG-WZONZLPQSA-N 485.504 2.102 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cccc(F)c2)[C@H]1c1cccnc1 1814189147 BDGPLURNFNCSHB-JXFKEZNVSA-N 472.567 2.401 10 20 JECD Cc1cnn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)c1 1815764128 HAACMYAZBCPNTE-UFZAZABTSA-N 469.523 2.090 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145976 PEEDCXDZZYWMSN-YLJYHZDGSA-N 479.541 2.109 10 20 JECD Cc1cc(C)n2ncc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)c2n1 1818585853 XGXAXFIGOVNWLG-KRWDZBQOSA-N 476.497 2.495 10 20 JECD O=C1COc2ccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)cc2N1 1819101874 DQFXATKMNKTZBS-MRXNPFEDSA-N 478.465 2.167 10 20 JECD CN(C)c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)cc1 1822214395 QHDZGLLGGAALJB-ZDUSSCGKSA-N 489.648 2.295 10 20 JECD CC[S@@](=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823475488 SKKGDTMWIJWKLC-JSUCKOBLSA-N 476.555 2.391 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ncccc3[nH]2)[nH]n1 1823499430 GUAQYEFOLZVOPV-INIZCTEOSA-N 483.579 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccn3nccc3c2)[nH]n1 1823499854 BMYFAFNBUKMDIE-INIZCTEOSA-N 483.579 2.224 10 20 JECD Cn1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)cn1 1827717623 QLKRHLMIKZWDJQ-QHCPKHFHSA-N 476.581 2.375 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3nc(CO)[nH]c3c2)CC1 1828098148 KLFTZDHKMLJXHN-FQEVSTJZSA-N 479.537 2.409 10 20 JECD CN[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1)C(=O)O 1830737283 MXLYIABGPGYYHX-SJORKVTESA-N 467.950 2.047 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)Cc2ccccc2)CC1 1831551745 ZFVWXTUCVILZND-UXHICEINSA-N 489.663 2.070 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)C2=COCCC2)CC1 1831920220 ANWMMUDJXDJBMK-KRWDZBQOSA-N 451.614 2.161 10 20 JECD Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c(C)n1 1836059904 KWCZTADNMBEUBC-UHFFFAOYSA-N 453.543 2.004 10 20 JECD Cc1cnc(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)cn1 1837443065 FVVVGRSOVXPNDT-UHFFFAOYSA-N 490.564 2.190 10 20 JECD Cc1ccc(OCC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1837746882 UJBKTFWNWPIUDB-UHFFFAOYSA-N 469.538 2.492 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 1841859042 NGWRKLODCXCFNV-OAHLLOKOSA-N 461.946 2.359 10 20 JECD COc1cccc(CCC(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)n1 1842004998 ITSRJHQYNCNBLJ-UHFFFAOYSA-N 461.522 2.019 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249487 OZDZFRFDUISVHR-QGZVFWFLSA-N 474.558 2.490 10 20 JECD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1847014803 ULDCMMJVQVKLKV-IBGZPJMESA-N 489.931 2.455 10 20 JECD O=C(CSc1cccc[n+]1[O-])NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 18223743 OPBBKZPSLRJBOD-MHWRWJLKSA-N 475.573 2.158 10 20 JECD COc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 21466306 VCMFMZLWTQEXTB-UHFFFAOYSA-N 472.453 2.382 10 20 JECD Cc1cc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)ccc1Br 726977206 YURZSWQWDJJPDK-UHFFFAOYSA-N 473.414 2.471 10 20 JECD CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)cc1 727250956 NLWUZWJISIKKBE-UHFFFAOYSA-N 469.552 2.265 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)oc(=O)n4C)cc2F)C[C@@H](C)O1 728402051 HZGYGCOHLKKUCN-ZIAGYGMSSA-N 456.474 2.139 10 20 JECD COc1ccc(N2CCN(C(=O)CSc3nnc(COc4ccccc4)n3N)CC2)cc1 729032407 HINSMGGTDTUTIV-UHFFFAOYSA-N 454.556 2.020 10 20 JECD CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 746395658 SZFYRZDQRYQRQT-UHFFFAOYSA-N 493.651 2.069 10 20 JECD C[C@H]1CN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)C[C@H](C)O1 747561608 QGVAXDJSIZIQCP-OALUTQOASA-N 452.555 2.392 10 20 JECD Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C)n1-c1ccc(C(C)C)cc1 750584137 AYOQERYCNYREKR-DHIUTWEWSA-N 459.612 2.445 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(OCC(=O)O)cc3)cc2F)C[C@@H](C)O1 917917244 FCTORBGWRCFNJN-GASCZTMLSA-N 452.504 2.381 10 20 JECD Cc1c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cnn1-c1ccc(O)nn1 918612408 KFTRPSNIYKHMAC-UHFFFAOYSA-N 462.432 2.462 10 20 JECD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 918745560 HGNBJOZWQINRMI-PBHICJAKSA-N 464.613 2.125 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3ccc4cc(O)ccc4n3)C2)C1 1777699631 JUIFWLSHQNMJSE-ZOOUZETPSA-N 491.500 2.214 10 20 JECD CC(C)(C)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781121083 CBVMXDUUEBCVAK-VGOFRKELSA-N 453.967 2.267 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cccnc1OCC1CC1)CCO2 1785509099 RNTPGLXRNZIPMI-AQBQYSGMSA-N 495.532 2.144 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)c(F)c3)C[C@@H]21)c1cc(O)nc(O)c1 1787295280 BUZNSIVQSVFYHJ-MDKPJZGXSA-N 484.528 2.139 10 20 JECD O=C(CN1CCOCC1)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1787905065 IZAJIRSKTXKTRE-UHFFFAOYSA-N 475.549 2.246 10 20 JECD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)[C@H]1SC(=N)NC1=O 1788634178 OHVQULGRAVPHLZ-PIGZYNQJSA-N 469.523 2.043 10 20 JECD O=C(CNc1ccc(F)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1795544036 LXYSNDJTNCJGCK-VTEUUUEMSA-N 463.893 2.206 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799621485 RACRSJUAZORIGG-DVKRWUGUSA-N 466.582 2.212 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)ccnc1Cl)C2)c1cc(O)c(O)c(Cl)c1 1799767428 PTKUCKWCGWEEGV-CULMDFNYSA-N 470.284 2.456 10 20 JECD Cc1ccc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)s1 1801329295 HUPHCFAELBUCQB-PJESLFIVSA-N 470.547 2.490 10 20 JECD COc1ccc(CCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cn1 1807993691 MATANQJONBTIKZ-KOSHJBKYSA-N 477.521 2.244 10 20 JECD O=C(CCN1CCOC1=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1809535676 SQUSHLCQVGTODI-YWZLYKJASA-N 488.928 2.308 10 20 JECD O=C1Cc2cc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)ccc2N1 1809685193 YMWLZQSHLHQEBA-MWTRTKDXSA-N 473.489 2.016 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)Cc3ccsc3)C2)CC1 1810117069 ARBOYGGDMBTPNM-UHFFFAOYSA-N 451.639 2.382 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)C1 1810552206 QEWWLSDESROMIF-UHFFFAOYSA-N 474.558 2.205 10 20 JECD C[C@H](Cn1ccnc1)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813411666 MEZXECZANBOFJU-QVNIBDNGSA-N 499.575 2.413 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCO2)[C@@H]1c1cccnc1 1814165024 AZZIOKGFHGWDLL-OMQJBHTJSA-N 453.495 2.097 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)C2CCC(O)CC2)[C@H]1c1cccnc1 1814167227 ZBIQBEUMHSKWDO-KQYLJYFWSA-N 481.549 2.469 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc(Cl)cnc1O 1814347530 CPCLSAVRZIRNFN-ZDUSSCGKSA-N 494.986 2.330 10 20 JECD Cc1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)n[nH]1 1818147281 WUKIZTYKVMGXLP-FQEVSTJZSA-N 474.525 2.469 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3ccn(C(F)F)n3)sc2C1)c1cc(O)nc(O)c1 1820620219 WCKQOPBJYIWFEU-VIFPVBQESA-N 450.427 2.081 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2[C@H]3SC=C[C@H]32)[nH]n1 1823499427 GBIQQEMWPVHDDF-XBPFNRNPSA-N 463.610 2.137 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1cccc(-n2cncn2)c1 1823721529 DRARYVYBQWIING-CQSZACIVSA-N 477.506 2.070 10 20 JECD O=C1CCCN1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1826727182 IKGNLQNAIHHAJJ-QFIPXVFZSA-N 479.581 2.021 10 20 JECD C/C(=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)C(=O)O 1832823263 FUOBEJZGGQLBAS-MMURNSSMSA-N 458.511 2.467 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cncc(C(F)(F)F)c3)CC2)CC1)c1cc(O)nc(O)c1 1834988949 XHKIOEFFJPGKRF-UHFFFAOYSA-N 493.486 2.406 10 20 JECD C[C@H](Cc1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840471821 KVWBKFZVHNUSSE-IQMFZBJNSA-N 478.929 2.293 10 20 JECD Cc1ccc(C)c(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1840881391 RXRIMXIFWDFZML-PMHUYKBPSA-N 496.560 2.133 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)c2ccon2)C1 1842539773 QUFARBJBOAQVBH-QGZVFWFLSA-N 486.525 2.039 10 20 JECD COCCOc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 727615011 WEVQLANQIVMMDU-UHFFFAOYSA-N 463.481 2.206 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3nnn(-c4ccc(OC(F)F)cc4)c3C)nc12 731270357 WAGIDLSFJRTBSF-UHFFFAOYSA-N 488.407 2.459 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1 748227159 FWOOCQIMOUFETK-IYBDPMFKSA-N 473.505 2.463 10 20 JECD Cc1cc(C(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)c(C)n1-c1ccc(F)c(Cl)c1 748429238 PQQNGRYWIPVWTC-UHFFFAOYSA-N 468.894 2.157 10 20 JECD Cc1c(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cccc1C(=O)N1CCCC1 749023132 FKVGHOCZLJLGBT-UHFFFAOYSA-N 468.529 2.462 10 20 JECD O=C(COc1ccc(Br)cc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 916676172 BDSNFSLTGXEFNV-UHFFFAOYSA-N 453.358 2.379 10 20 JECD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCc1ccc(N2CCSCC2)cc1 917385617 FSCVIXHSTXRVDC-UHFFFAOYSA-N 491.635 2.386 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 918439427 KMNOZZSFBXSHQX-UHFFFAOYSA-N 454.502 2.169 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(CN4CCCC4=O)c3)CC2)cc1 918461424 BPVYXYSUEOKXLO-UHFFFAOYSA-N 450.539 2.495 10 20 JECD O=C(Cn1cccc(C(F)(F)F)c1=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919699521 PQUVUQRTXCPVNJ-UHFFFAOYSA-N 490.461 2.439 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NC[C@H](O)COc3ccc4c(c3)OCO4)cc2F)C[C@@H](C)O1 920237217 GLJKKIHAHVZZRH-NUJGCVRESA-N 475.517 2.407 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 920637997 POTJEDXTCLIREO-UHFFFAOYSA-N 494.481 2.335 10 20 JECD COc1ccc2[nH]cc(/C=C/C(=O)N3CC[C@@]4(C3)CN(C(=O)c3cc(O)nc(O)c3)CCO4)c2c1 1781387308 RGTQUUVTPDQLJL-BEOTYTMOSA-N 478.505 2.140 10 20 JECD O=C(CCc1ccc(O)nn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1781469456 HKCIYFZSXLOQLN-WZONZLPQSA-N 490.944 2.007 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1782695995 UUEOGQHFMLZLAZ-NYHFZMIOSA-N 453.967 2.173 10 20 JECD Cc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)n1 1784222477 KRQPISNUIDPFQF-VHFSOBRXSA-N 459.930 2.291 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2ncccc2c1 1793859622 ZDJYLPLQMMXYKS-BCDXTJNWSA-N 468.604 2.276 10 20 JECD C[C@H]1[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)CCN1C(=O)OC(C)(C)C 1796605609 UMLKFIGFFDNVCZ-XEIOYGOASA-N 474.558 2.390 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C(=O)O)ncn2)C3)cc1 1799620109 POSKSYWHOUFQLT-BBIADKPPSA-N 489.532 2.099 10 20 JECD CC(C)n1nc(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)cc1C(=O)O 1810543082 SIQDOFQLRHWSBW-UHFFFAOYSA-N 471.514 2.127 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810548574 AICXNJLKAHYWBI-MRXNPFEDSA-N 476.574 2.498 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810962952 WWTUJHNPPKDZMF-ORAYPTAESA-N 490.442 2.274 10 20 JECD Cc1ccc(O)c(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1811765191 XUGQLLGAIUXZGS-KKSFZXQISA-N 484.603 2.276 10 20 JECD CCO/C=C/C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814165849 LCOUCFIJHKMQQV-MZJDFNFHSA-N 453.495 2.468 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2-n2nccn2)[nH]n1)c1cc(O)nc(O)c1 1817847438 CEVKBZNDMWJVIF-SFHVURJKSA-N 474.481 2.416 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccc4cnccc4n3)sc2C1 1818199029 RSKLZLLXEGJVHC-LBPRGKRZSA-N 498.615 2.172 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1c(F)cncc1F 1819919605 IAXKMVBPKMOPQF-ZDUSSCGKSA-N 480.522 2.249 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc(OCCCO)cc1 1821335736 YFIOOIKZSRGYTA-OAHLLOKOSA-N 484.534 2.250 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)CC23CCCN2CCC3)[nH]n1 1823499704 UYRHWIDCZFSUGQ-INIZCTEOSA-N 490.655 2.281 10 20 JECD O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1824953191 ICXVGLCSUGLVQL-GFCCVEGCSA-N 487.469 2.465 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)C(Cl)(Cl)Cl)sc2C1 1825345189 IDDJVIYHNUKAAB-ZCFIWIBFSA-N 487.843 2.286 10 20 JECD CCc1oncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1826173982 GRVOGBKUBCSPFQ-MRXNPFEDSA-N 464.613 2.331 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)CCc1cccc(O)c1)CC2 1828250516 VMLMAYPRNOOUMD-CYBMUJFWSA-N 490.632 2.254 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1829091172 SZPOIAUAROZGRD-GCJKJVERSA-N 479.581 2.090 10 20 JECD COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)nn1C 1829845180 ZMTKEPJNMDMXEE-QFIPXVFZSA-N 492.580 2.455 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)o1 1832902793 VUUGWKXUPWQYPJ-MRXNPFEDSA-N 492.623 2.332 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3ccoc13)CCO2 1839588103 LZQHRDDGYAOJQS-MXDXTTGUSA-N 494.500 2.333 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)C1 1843842226 FCWPHLCJMHYJQW-UHFFFAOYSA-N 465.934 2.435 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@H]1F)C2 1844251519 DQJKNOFPUQYPMK-GVDBMIGSSA-N 477.533 2.095 10 20 JECD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845500664 YMIHOFYYIBHALF-MRXNPFEDSA-N 495.960 2.204 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cnc3c(F)c(F)ccc3c2)C1 1845688895 JVRFFUQKTVSEBL-UHFFFAOYSA-N 476.530 2.190 10 20 JECD C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 10795578 GHGLONURCNJQON-CYBMUJFWSA-N 478.482 2.293 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2)cc1 726725462 DXKQBNFDPUVLED-UHFFFAOYSA-N 486.594 2.203 10 20 JECD Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C)n1-c1ccccc1Br 728699444 VDJWQMJAVPYDQR-ICSRJNTNSA-N 496.427 2.084 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 729036628 YHQMZJRTWISCLA-CYBMUJFWSA-N 453.492 2.444 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c3cn(C)c(C)n3)c2C)cc1 750618690 HONAPHFMYBTXAP-UHFFFAOYSA-N 458.540 2.149 10 20 JECD CC(=O)N1CCC(NC(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)CC1 898097700 UZRDMONLMHAKOV-UHFFFAOYSA-N 468.893 2.399 10 20 JECD CC(=O)N1c2ccc(S(=O)(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2C[C@@H]1C 917930358 QYKYTFSDPFJCSS-LPHOPBHVSA-N 470.595 2.164 10 20 JECD COCCOc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1 918288898 XGSWXIBVTCUZPL-HOTGVXAUSA-N 460.506 2.114 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 918642877 FQJSELKDYRUDQD-UHFFFAOYSA-N 458.540 2.360 10 20 JECD CN(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Br)cc1 919765961 SUWUPLCCURLTTD-UHFFFAOYSA-N 482.400 2.223 10 20 JECD C[C@H](C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 919855162 HPPRNCSSOOCENP-HOJAQTOUSA-N 494.571 2.122 10 20 JECD CCCC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1779520808 HSRFSPFWOUURTH-CGROQTEOSA-N 481.977 2.184 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccnc(Cl)n1 1779680760 YKAVYCNSTLLIDG-NTKDMRAZSA-N 496.955 2.050 10 20 JECD COCCOCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753462 INUZOMWYJGCLSY-RUZDIDTESA-N 455.555 2.201 10 20 JECD COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1782000902 DDGNUSOLHNAPQB-QHCPKHFHSA-N 460.914 2.446 10 20 JECD CC[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)N(CC)CC 1782004552 ZZYYYIYGDZBUHR-VGOFRKELSA-N 453.967 2.315 10 20 JECD Cn1ncc(Br)c1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005562 NPUPVNYJEIEGGX-IBGZPJMESA-N 499.749 2.005 10 20 JECD Cc1nc(F)ccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783221855 NYYOBMGEVFTVKI-INAADSDXSA-N 485.512 2.487 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)ncn4)[C@H]3C2)cc1 1784668685 BXYUFJLYIUYURN-RRPUWOKSSA-N 475.549 2.497 10 20 JECD O=C(/C=C/c1cccs1)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785508613 ITNACXWFIXEVQZ-LNLZPWTDSA-N 456.520 2.421 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3occc3c1O)CCO2 1785510307 VEISRQICKVJGQJ-KLWTWKFNSA-N 480.473 2.412 10 20 JECD Cc1cccc(/C=C/C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)n1 1787538883 RVDTXHQDIWLREW-JUYNTEHFSA-N 487.560 2.176 10 20 JECD CCCc1onc(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1787652347 ANIJLQPUGOBBGI-JLMWRMLUSA-N 493.564 2.322 10 20 JECD CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 1790126692 GRLDBEVLRNRVIX-SNJCGAMXSA-N 481.597 2.134 10 20 JECD Cc1nccn1CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790245991 AKNJBMDOLWOIPH-KNBMTAEXSA-N 476.961 2.330 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3scnc3C3CC3)C[C@@H]21 1792218735 OSDSHVIETDUATC-OHLZFXOVSA-N 485.562 2.444 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(F)(F)F)C2)c1cc(O)nc(O)c1 1796139509 AIKXALYVYJLLCU-IVWMJMPLSA-N 451.401 2.029 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1c(Cl)cccc1Cl 1798811917 XOMGXTRMMCVHNL-YQYWCBKUSA-N 488.418 2.057 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1799283152 KGQKVRKESQRLPJ-CWPLJXCYSA-N 487.940 2.210 10 20 JECD CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1)N(CC)CC 1799767203 ZTUOLYUVWAUINI-HIRMHNASSA-N 453.967 2.075 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cccc2ccoc12 1800052887 SYJNVLAEVWPCEK-FEJSZKPUSA-N 472.501 2.429 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]cnc4n2)C3)cc1 1800513414 LEECEUFSWJREDF-NUZGMZIFSA-N 485.548 2.391 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)[C@@H]1CCc2nc(O)nc(O)c2C1 1800715563 FGPLJLJCCJFQIF-RUZUBIRVSA-N 488.928 2.009 10 20 JECD Cc1noc(N)c1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1807106192 QAGNTZDGDJVPFH-JTSKRJEESA-N 487.520 2.073 10 20 JECD COC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808464103 JGDXZRDLXIUYJV-LTMIRXACSA-N 463.538 2.163 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cnc(Cl)s1 1811034934 FPHNFMFUAQDRAY-LRDDRELGSA-N 496.039 2.371 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cnn2c1CCC2 1812144814 MSANYTPQCNNCEB-MWMWCICHSA-N 489.532 2.374 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3ncn(-c4ccccc4)n3)sc2C1)c1cc(O)nc(O)c1 1817490997 PKNLRWPKNZSQCZ-CYBMUJFWSA-N 477.506 2.070 10 20 JECD O=C(COC(=O)C(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1819316140 QCVKIPYEMCZCKF-IYNGYCSASA-N 498.414 2.338 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 1825712184 BJIIJDLXGAVLIR-OAQYLSRUSA-N 476.537 2.208 10 20 JECD CC[C@@H](NC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827036961 MRARRUOJMQTCNM-IFMALSPDSA-N 453.587 2.397 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cn3ncccc3n2)CC1 1828261116 LHPCUWCCHKRHGH-SFHVURJKSA-N 450.499 2.083 10 20 JECD C[C@@H](Nc1cnccn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1828940349 GKTGQRNBTOBZHM-CRAIPNDOSA-N 454.531 2.017 10 20 JECD Cn1c(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc2ccccc21 1835270569 SZYRKZMZEYQIRY-UHFFFAOYSA-N 477.565 2.484 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccncc1Cl 1835898836 ZARBIAHHUWZHSK-UHFFFAOYSA-N 459.934 2.040 10 20 JECD O=C(/C=C/C1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1839182644 JKRIRGACDLQERN-RTHIIRHPSA-N 494.592 2.372 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cc2cc([N+](=O)[O-])ccc2F)=NN1c1ccccc1 1848056486 ZSZPTUUMRYNEOZ-SFTDATJTSA-N 479.468 2.271 10 20 JECD CN1C(=O)c2ccc(NC(=O)COC(=O)c3cccc4c3C(=O)c3ccccc3C4=O)cc2C1=O 104858682 VFRLQAOJUXXCTF-UHFFFAOYSA-N 468.421 2.483 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc(S(N)(=O)=O)o2)c(C)n1-c1ccc2c(c1)OCCO2 106104604 OWHYBSDYVNYTMB-UHFFFAOYSA-N 460.464 2.145 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCC[C@@H]3CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 729606537 INWYVURYFRSFRU-MQSCRBSSSA-N 459.635 2.100 10 20 JECD Cc1ccc(C(=O)OCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cn1 899711353 GRMXQNXECBBTMG-NVMNQCDNSA-N 485.543 2.293 10 20 JECD CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 917834909 UGTGZCQIKQOEGG-FXAWDEMLSA-N 472.611 2.395 10 20 JECD O=C(NCC1CC1)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919782080 CMFZLDTXSVTGKX-OAQYLSRUSA-N 495.603 2.390 10 20 JECD COc1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)ccc1OCC(=O)N1CCOCC1 920472108 JNXLEDRWTBFESJ-XSFVSMFZSA-N 491.635 2.228 10 20 JECD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 920880502 CAOMRBIITAQGKH-GOSISDBHSA-N 489.594 2.044 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)cc1 1781750778 JRVRQKZYYGMEOF-SANMLTNESA-N 476.533 2.250 10 20 JECD O=C(c1ccc2nccn2c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005615 RDUGDWZVGOVTAY-QFIPXVFZSA-N 456.886 2.156 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1782102836 OTWRPGXJZJPXAU-JOCHJYFZSA-N 491.884 2.431 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCSC1)C2 1783222535 ATFLTATTWPWVHA-MGGJZLSNSA-N 476.595 2.474 10 20 JECD O=C(CSC1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1784460685 DCTVRFBMEJHLSG-XJABCFGWSA-N 484.622 2.435 10 20 JECD Cc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1 1786531665 HNODCNGXLWAHKI-SSPYTLHUSA-N 474.561 2.310 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(Cl)s3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539460 HAVFLZBCHAWEBV-QRTARXTBSA-N 487.969 2.183 10 20 JECD COc1ccccc1CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1793331820 LFNBIQCHEFHWLO-BJWYYQGGSA-N 461.609 2.126 10 20 JECD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O)c1cccs1 1802082598 VZMNKJQNDYZXTC-KHDHWHEOSA-N 458.536 2.271 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1cc(O)ncn1 1803741722 PNTVKUFKVCTSGC-BFUOFWGJSA-N 469.885 2.275 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)[C@@H]1CCCN1Cc1ccccc1 1804340034 GBQWBHVBLXFMTL-YRPNKDGESA-N 486.663 2.150 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3ccc(Cl)nc3)C2)CC1 1804667560 DARFNXXNPPDBAK-UHFFFAOYSA-N 467.016 2.440 10 20 JECD CC(C)(C)n1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n1 1805043520 LFHCAGPHBQXPGI-KKSFZXQISA-N 464.526 2.473 10 20 JECD O=C(NC[C@H]1CCN(C(=O)COc2ccc(F)cc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807990226 GUZWSWCYAVNSKB-WAIKUNEKSA-N 466.469 2.426 10 20 JECD CC(C)(C)NCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814161919 CTQDNSLPIHUOFT-KBUQRTECSA-N 468.554 2.306 10 20 JECD COC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162336 RAJOZCAPZQKAEY-DGTJZYEHSA-N 455.511 2.343 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cccnn2)[C@@H]1c1cccnc1 1814163501 FARMGSDHIXTYCI-VACSHPSYSA-N 461.478 2.021 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)Cc2cccs2)[C@@H]1c1cccnc1 1814189151 MNTTWPMSGOBIEW-MGPUTAFESA-N 474.633 2.252 10 20 JECD Cn1cncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1816517764 SVCSAJQQMOTTPQ-SFHVURJKSA-N 460.498 2.242 10 20 JECD CC(=O)O[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)C(C)C 1817362054 PSEZTZULHUJHLG-VFNWGFHPSA-N 497.577 2.436 10 20 JECD Cc1ncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)s1 1818410377 JCOYVURMCINEBW-GFCCVEGCSA-N 464.598 2.341 10 20 JECD Cn1ccc(=O)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1820171728 LWLFROBLDTVHSO-JKNJVXJCSA-N 479.493 2.245 10 20 JECD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)n1ccnn1 1821722258 VEFZLFCGNXTAIY-BEFAXECRSA-N 475.513 2.047 10 20 JECD C[C@@]1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)CC1(F)F 1823404274 ZKTOEMVVNGKDLD-DIFFPNOSSA-N 457.528 2.307 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1824397388 IGOFHSIXDJQBOQ-AVRDEDQJSA-N 481.597 2.314 10 20 JECD O=C(c1cn2ccsc2n1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901515 FIZJOFHLZKZVTB-INIZCTEOSA-N 491.664 2.489 10 20 JECD CN(C)c1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834988391 MGVADRSYHIOAPJ-UHFFFAOYSA-N 495.624 2.377 10 20 JECD Cc1nc(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cs1 1837163711 IFBOMISEHIWOGS-UHFFFAOYSA-N 460.556 2.113 10 20 JECD O=C(CCCc1ccncc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432723 YJIUZXRXSPSOHP-XMMPIXPASA-N 489.956 2.239 10 20 JECD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1)c1ccccc1 1840891227 GDQNZIOGBPWAJN-NFQMXDRXSA-N 490.560 2.039 10 20 JECD O=C(c1cc(-c2cc(F)cc(F)c2)[nH]n1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055415 GMVQYNOFPONOJJ-UHFFFAOYSA-N 491.545 2.032 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 9919800 PXCCRTLEPSWDRN-UHFFFAOYSA-N 486.638 2.422 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(Br)c1 727228080 RAXQSNMITMAHJL-HNNXBMFYSA-N 489.370 2.414 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1 729067627 VVHQPMWQJJZVGK-OAHLLOKOSA-N 461.540 2.391 10 20 JECD CN(CCCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)S(=O)(=O)c1ccc(F)cc1 917832633 DRLPPCSSVCONRZ-IBGZPJMESA-N 490.601 2.245 10 20 JECD CNS(=O)(=O)c1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1C 918309059 TZDVICUBQUUFGG-UHFFFAOYSA-N 458.584 2.491 10 20 JECD O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919697554 BEQXNFNTCLBYHY-BGYRXZFFSA-N 494.571 2.124 10 20 JECD COCCN1C(=O)c2ccc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)cc2S1(=O)=O 919897427 XVYDJRGAKGJKAT-UHFFFAOYSA-N 498.605 2.262 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2cccnc12 920194725 WMVKQTHEELEDCO-QGZVFWFLSA-N 461.522 2.200 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1 920254920 RTDQERHZMDRGPV-KHPPLWFESA-N 452.530 2.388 10 20 JECD CN(Cc1ccc(OC(F)F)cc1)C(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O 920637543 IVVMCAJKRMHIRU-UHFFFAOYSA-N 458.439 2.181 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOCC4)[C@H]3C2)cc1 1786724833 BMPSWTWMXJSOPD-HVCNVCAESA-N 480.609 2.020 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cc2ncsc2[nH]1 1788787344 VNTFPJPZTVYWSD-KCVUBDHBSA-N 484.534 2.048 10 20 JECD O=C(CCc1ccc(F)nc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1794021210 IAZFTWSSOYDTOA-YVWYUNDQSA-N 463.893 2.121 10 20 JECD Cn1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)c1C(F)(F)F 1796932744 ZIEHRHMSTVECDY-RBVVOMGSSA-N 488.470 2.484 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1[C@H]2Sc3ccccc3[C@@H]21 1798456760 HCXFRHOBUZBCAL-HDQDAVINSA-N 473.645 2.373 10 20 JECD Cc1cnc(Cl)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c1 1804332091 MXPKJRFQCUWNDD-CLLJXQQHSA-N 452.989 2.156 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1806687969 UGXHZADDRFPQJS-NRFANRHFSA-N 464.566 2.394 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(-n3cccn3)nc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995804 UTGUCCLGJOMRSL-UZUQRXQVSA-N 485.504 2.102 10 20 JECD Cc1nccnc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808467388 CVMINTJMLRWXIH-DVECYGJZSA-N 483.532 2.293 10 20 JECD O=C(CN1CCc2sccc2C1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810546578 DNPJLZRHESBZQO-UHFFFAOYSA-N 470.595 2.457 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cc(Cl)ccn1 1810714150 IINHUPFYAFCXIM-IFXJQAMLSA-N 490.010 2.310 10 20 JECD COc1nn(C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1816310674 AFGLJVKZCSOJGM-LJQANCHMSA-N 490.524 2.251 10 20 JECD Cc1nc2ccccn2c1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816724716 CKMQSJPMZIJCRP-CYBMUJFWSA-N 464.507 2.445 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(O)n1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817363001 FCMCTRCFDPCQRH-CYBMUJFWSA-N 476.518 2.262 10 20 JECD COc1nccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c1F 1817669841 SHAGIHYIJUMOON-ZDUSSCGKSA-N 492.558 2.119 10 20 JECD Cc1ccc(C(=O)NCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cc1 1817848688 XPBKUKSJSPMFRG-GOSISDBHSA-N 478.509 2.260 10 20 JECD O=C(OCCO)c1ccccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427777 IBWQDKZXKCDGQE-NRFANRHFSA-N 497.548 2.189 10 20 JECD CN(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cn1 1829428655 AJUADTRYRNEWPF-SFHVURJKSA-N 489.667 2.241 10 20 JECD Cn1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)n1 1832877545 QHWVVRRCQHSBFY-IEJURRBGSA-N 468.554 2.413 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3F)C2)C1 1839433874 XIIKIGCFSYZVJJ-QFIPXVFZSA-N 464.877 2.274 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(F)CCCC=C3F)C2)C1 1840881697 KBDISXOCOBUOQZ-BJHKHANUSA-N 494.491 2.019 10 20 JECD O=C(c1cc(-c2cccnc2)[nH]n1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441642 KZFDABPQTONAKI-UHFFFAOYSA-N 469.505 2.082 10 20 JECD O=C(c1cnn2cccc(F)c12)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442317 KLCAWOKDNGPWAI-UHFFFAOYSA-N 460.469 2.083 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc(-c3cccs3)on2)C1 1844474913 WQGZYPAOIPRWQR-UHFFFAOYSA-N 462.578 2.080 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2[nH]cnc2-c2cccnc2)C1 1844672498 LIWZLDQHAKBCKQ-FNORWQNLSA-N 461.478 2.119 10 20 JECD Cc1cc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)nc2ccccc12 1847054650 UFXCDRWYUQFDFF-UHFFFAOYSA-N 454.577 2.221 10 20 JECD CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1)C1CC1 1847620098 KLLAUJPBYAUNSD-ULQDDVLXSA-N 460.531 2.002 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)Cn3c(-c4cnccn4)noc3=O)c2C)c1 116623251 RALZMMOCYJJTLU-UHFFFAOYSA-N 491.460 2.157 10 20 JECD O=C1C[C@@H](N(C(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)C2CC2)C(=O)N1 726942466 GKDCJXAFPJCMRU-PFLCFFIHSA-N 494.392 2.056 10 20 JECD CS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)c(F)c1 728294776 SJFQDNZXSHMUAJ-UHFFFAOYSA-N 459.590 2.229 10 20 JECD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 747597097 DXFNCOPTGMVQHC-UHFFFAOYSA-N 460.600 2.172 10 20 JECD CCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 747860561 FPMNDSSPJIMZRA-HXUWFJFHSA-N 483.592 2.390 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)cc3)CC2)cc1 788005986 IRUYRGMNSCPXOI-UHFFFAOYSA-N 489.594 2.278 10 20 JECD Cn1c(=O)c2c(ncn2CCSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)n(C)c1=O 828588784 CBWBKDQTOHRUDG-KRWDZBQOSA-N 466.567 2.269 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 918304737 WVBHBBWMLTUNSW-UHFFFAOYSA-N 457.962 2.329 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc2F)C[C@@H](C)O1 918879505 MKXDAVDRFSSBHI-ZIFCJYIRSA-N 487.528 2.240 10 20 JECD Cc1c([N+](=O)[O-])cc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] 919228344 NPBOMYIXBHRGDS-UHFFFAOYSA-N 476.417 2.260 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCc3ccccc31)C2)c1cc(O)nc(O)c1 1777850616 KMXMIIFPFDAWSE-WZOHSFFVSA-N 451.523 2.350 10 20 JECD Cn1ccc2cccc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3cc(O)nc(O)c3)C4)c21 1778674398 DGEDKNSPLCCTCA-KBMIEXCESA-N 464.522 2.426 10 20 JECD CC(C)N(C)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1782741847 MXUZPNGWKZAJJY-XMSQKQJNSA-N 453.967 2.219 10 20 JECD COc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c1C 1782857467 XDGFUVKVJPIZCE-NTKDMRAZSA-N 455.511 2.251 10 20 JECD COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc(Cl)n1 1785506692 FDXCZNYQCPIHIY-UUCGHWEQSA-N 489.912 2.017 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3O1)CCO2 1785510480 LSEYOVFZMGQEIW-PKFZZQOQSA-N 480.517 2.040 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)ccnc3Cl)C[C@@H]21 1792217437 CJEDCBHOYXTJMM-FKYOHGGQSA-N 491.903 2.298 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(O)nn2)cc1 1794566391 CVURKYQFPWDJBX-BBIADKPPSA-N 461.522 2.107 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc(-c2ccncc2)[nH]n1 1798146976 RPLKUGBZBZGMDE-YVWYUNDQSA-N 483.912 2.053 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1COc3ccccc3O1)C2)c1cc(O)c(O)c(Cl)c1 1799766853 AFKCJEQKYMNBPS-CPBBTPEFSA-N 488.924 2.185 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc(O)c(O)c(Cl)c1 1799767992 JCCBTVKIQIKBII-DPIQGUFMSA-N 483.304 2.333 10 20 JECD O=C(Cc1cncnc1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1804651892 VYRBRWONJWQCAX-HRAATJIYSA-N 467.913 2.499 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1c[nH]c2nccc-2c1 1808082456 GSYZJMSSFOVANG-OXJNMPFZSA-N 494.602 2.089 10 20 JECD CC(C)CNC(=O)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1808447618 UDYSOICIBKUKAU-KXBFYZLASA-N 474.945 2.238 10 20 JECD C[C@H](Cn1cncn1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811806303 JYRLRMQVVDILJL-PTSWNOGYSA-N 484.944 2.394 10 20 JECD CCC1(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)COC1 1812488368 ABWXFQWYOZLGIN-XXBNENTESA-N 475.549 2.307 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1O2 1812887908 BDWNZYICVVPOID-QIEZQMNFSA-N 487.560 2.448 10 20 JECD Cc1c(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cnn1C 1814162974 SVTLRLKURRUOHL-AEVOMHCASA-N 477.521 2.273 10 20 JECD C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)O1 1814163861 OIBVQHCUSDMTFA-CSNGIIGGSA-N 467.522 2.485 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1csnn1 1815362404 LFAFLNXOVPXETE-QGZVFWFLSA-N 464.511 2.360 10 20 JECD O=C(Cc1cc(F)cc(F)c1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1815645493 NOFLPOYUJUOGRS-CYBMUJFWSA-N 496.586 2.436 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN)[nH]n1 1817980956 LMGUDRIZVYNZFL-RTBURBONSA-N 485.589 2.079 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cccc4c3OCC4)sc2C1 1817999088 XITJRRKOGWXYKN-GFCCVEGCSA-N 488.616 2.164 10 20 JECD Cn1nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)cc1O 1825461800 SYONFPBXBQARAG-JHTBKMLMSA-N 470.526 2.189 10 20 JECD O=C([C@@H]1Cc2ccccc2CN1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827426434 VNNCXKRKCHEIQD-FCHUYYIVSA-N 464.566 2.441 10 20 JECD CC1CCN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)CC1 1832896911 TVPNAKSLWIPNLM-LJQANCHMSA-N 480.700 2.198 10 20 JECD Cc1cnn([C@H](C)C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1 1832899216 BILJPAUCSHPDQQ-SJLPKXTDSA-N 477.656 2.233 10 20 JECD CCN1CCC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)CC1 1832900516 LDTPAPVELWPZBZ-IBGZPJMESA-N 480.700 2.198 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2cncc(O)c2)C1 1846218954 PFDIFTBUDRJTQQ-OAQYLSRUSA-N 495.580 2.322 10 20 JECD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c(-n2nccn2)c1 1847039014 XDMXONDEPAZXTI-VMPITWQZSA-N 475.505 2.223 10 20 JECD Cc1nc2cccc(C(=O)N3CC4(CCCN4C(=O)CN4C(=O)CSC4=S)C3)c2s1 1847054174 GNOOYCKMOLPKTR-UHFFFAOYSA-N 460.606 2.282 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(F)ccc1Br 1847378289 ZGTZOIIWFNUEJS-KBPBESRZSA-N 486.388 2.264 10 20 JECD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 108898269 JSJYBXKFKBTRFL-UHFFFAOYSA-N 484.622 2.492 10 20 JECD Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C)n1-c1ccccc1Br 728699442 VDJWQMJAVPYDQR-AZUAARDMSA-N 496.427 2.084 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCCN(C(=O)c4ccccc4)CC3)CC2)cc1 742940768 XGPIJSJDZBVHHL-UHFFFAOYSA-N 465.598 2.375 10 20 JECD Cc1cc(C(=O)COC(=O)CNC(=O)C2CCCCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 756540792 ANFWZFDSUALXBE-UHFFFAOYSA-N 475.567 2.164 10 20 JECD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)C2=O 917832082 IPCJTPQXQVVVDN-LGRWACDXSA-N 483.613 2.141 10 20 JECD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)c2ccccc2O1 918307539 XULOATXPWUJEBZ-QFIPXVFZSA-N 452.555 2.422 10 20 JECD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 918463237 JTRYMGHIASDVRC-SFHVURJKSA-N 499.999 2.435 10 20 JECD NC(=O)[C@H]1CCCN(C(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)C1 920428577 SJTUDQFLQGDONN-ACLQVGRQSA-N 468.398 2.374 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)CCc1cccs1)CCO2 1785508937 OAIIEYFRBDOQRL-KURNWNDPSA-N 458.536 2.341 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)CCc1ccccc1)CCO2 1785509537 USMFYBCIJCHBLO-FPVCCHAOSA-N 452.507 2.279 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)CCO2 1785539747 HBDQOLXNJHCUTC-YVHKJVDXSA-N 494.038 2.134 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4cnccc4n3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539467 IKWAYVHSHWOKMW-WXVUKLJWSA-N 498.543 2.016 10 20 JECD COc1ccc2oc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)cc2c1 1788277763 LSZWANOAFSLLBE-ROOHIHILSA-N 467.478 2.155 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccccc1F 1789433324 WLNQAHAYFUKDPX-BPXKWBHBSA-N 464.497 2.212 10 20 JECD Cc1ccn2ncc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=C/c5ccc(O)c(O)c5O)[C@H]4C3)c2c1 1792219076 IRQRCRIUYODLDL-ZFHASDOESA-N 492.532 2.066 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccccc3Cl)[nH]n1)C2)c1cc(O)nc(O)c1 1796139728 NNWBJUUVUYDBND-GFENJXEQSA-N 483.912 2.053 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc2ccccn2n1 1809057371 MTDKKZUXFPOYPW-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)C1CCC2(CC1)OCCO2 1812482802 AEHZUNAMSIGBSK-XMSQKQJNSA-N 482.537 2.141 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cccc3nc[nH]c23)[C@H]1c1cccnc1 1814189685 WBYCVJLQRAMXGK-BTYIYWSLSA-N 494.602 2.138 10 20 JECD CCC(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815103292 OYHCUGUWDOIEEP-BEFAXECRSA-N 479.541 2.109 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccnn3c2)[nH]n1 1823499795 YGGAGCAAONDHEX-MRXNPFEDSA-N 483.579 2.224 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cccc4nccn34)sc2C1)c1cc(O)nc(O)c1 1824124614 YEYCAPYFPYLBSH-GFCCVEGCSA-N 450.480 2.137 10 20 JECD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877094 SWASTDGHLDYDLA-YERXGYGTSA-N 485.497 2.381 10 20 JECD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)N1CSCSC1 1838029695 BPGZWZCKAXPQBC-HNNXBMFYSA-N 496.655 2.148 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)cc1 1839348537 VJWYWBIEFIPQIO-VWLOTQADSA-N 499.637 2.181 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccs3)C2)C1 1839431855 RGOLBLNXUPUHLY-FQEVSTJZSA-N 452.916 2.197 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1839433052 IUYUPYXYIMAHEG-QHCPKHFHSA-N 486.912 2.011 10 20 JECD Cc1ccoc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433960 GLIJFXTWQAYUCW-NRFANRHFSA-N 450.875 2.036 10 20 JECD Cc1ncc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)s1 1840519570 MZWGNYPHZXNYBN-UHQIAATHSA-N 493.969 2.300 10 20 JECD Cc1c(Br)c(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)nn1C 1843442345 CEQWFKFPZJCDGJ-UHFFFAOYSA-N 499.369 2.101 10 20 JECD CC(C)n1nc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)cc1C(=O)O 1845500814 RVIBHNYQPVXZHN-UHFFFAOYSA-N 462.890 2.358 10 20 JECD O=C1CCCc2cc(NC(=O)C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2N1 728761663 SEDURPPJXWHMEE-UHFFFAOYSA-N 454.502 2.317 10 20 JECD C[C@H](NCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1ccccn1 777652334 KTWPXUREBYZRSP-YRIIZNAFSA-N 470.576 2.479 10 20 JECD CCS(=O)(=O)NC1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 916631922 NBCMNUQCEKJNQW-UHFFFAOYSA-N 478.537 2.155 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CSc3nnc(C4CC4)n3CCC(N)=O)cc2F)C[C@@H](C)O1 917207192 ONTHSDXNUPCXOH-HUUCEWRRSA-N 490.605 2.192 10 20 JECD CCc1ccccc1N1C[C@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O 918335032 KIBZHUPCOSGFPY-HXUWFJFHSA-N 455.580 2.153 10 20 JECD CC(C)CS(=O)(=O)CC(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 919334058 VWGBINMBLMZEAK-AWEZNQCLSA-N 457.504 2.403 10 20 JECD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919729646 JWJIPPGMIBUDTN-QZTJIDSGSA-N 462.595 2.255 10 20 JECD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)C[C@H](C)O1 919766819 XLDVRWCKNYHFOI-OALUTQOASA-N 473.595 2.251 10 20 JECD Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777847664 LGJYRKCXSRWFSF-NTKDMRAZSA-N 455.511 2.008 10 20 JECD CC(C)n1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)n1 1778127307 DWHYYFGHFPKGRM-ATIYNZHBSA-N 492.580 2.384 10 20 JECD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(O)c1 1782007728 LEFPGYQNKNVTIW-JOCHJYFZSA-N 462.886 2.223 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 1783410394 OMNGQERXFWRSKW-WDQQZUAOSA-N 478.545 2.452 10 20 JECD Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cn1 1785264653 FWRQIPMLRBDWDF-ZHGZNUGGSA-N 481.549 2.133 10 20 JECD O=C(Cc1ccc2ccccc2c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1786450060 SIBNJWYRZWBKLV-ACRUOGEOSA-N 497.642 2.222 10 20 JECD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)ccc1F 1787541397 KSHAKXGNJPAZEP-LTMIRXACSA-N 494.523 2.221 10 20 JECD C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1ccccc1 1790927684 NJBVDVZLCSSODV-WNHJNPCNSA-N 475.636 2.020 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cc1OC 1792217657 GCTCFFYEVYUDFP-OPJMQWPPSA-N 498.532 2.127 10 20 JECD CCc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1 1792219471 WVFUOOVRRWOJOU-GMHLOAMTSA-N 467.522 2.068 10 20 JECD CCc1c(Br)cccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796140329 KNRVTYOSAGJLCP-VTEUUUEMSA-N 490.354 2.335 10 20 JECD CO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1798418523 VCHNHIQWYMSVNZ-UJCHZGTJSA-N 491.585 2.207 10 20 JECD COC[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1798641134 LXXSIHORIHNEOF-IGABQKFOSA-N 466.582 2.497 10 20 JECD CC(C)(C)OC(=O)C(C)(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1799802210 JPGYQOVINDNUFF-QDMKHBRRSA-N 483.656 2.243 10 20 JECD COc1ccccc1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1800630218 TWUAJEHAKNVDNL-VPTLXERWSA-N 460.914 2.206 10 20 JECD O=C(CSc1ccncc1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804349439 HKHIVBFPBLWGSI-ZHRRBRCNSA-N 465.535 2.395 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807998071 HRSSEBWDIWFQNL-ZWCUEREDSA-N 453.543 2.080 10 20 JECD Cc1cc(C)n2ncc(C(=O)N3CCC4(CCCN(C(=O)c5cc(O)nc(O)c5)C4)CC3)c2n1 1810551044 AAFIBPXJKVVRKK-UHFFFAOYSA-N 464.526 2.311 10 20 JECD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)no1 1814165264 DHWAVIYYKKQCPK-WZMUZEJKSA-N 478.505 2.457 10 20 JECD CO[C@H](C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccc1 1814186809 XMKSABOBBLLRBL-QIJUGHKUSA-N 498.630 2.335 10 20 JECD Cc1nc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c(C)s1 1816721266 ILIHIYKNDVVCMN-GFCCVEGCSA-N 459.553 2.491 10 20 JECD Cc1nc[nH]c1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362956 ZUWMITLYVWPROU-CYBMUJFWSA-N 463.523 2.193 10 20 JECD Cn1ncc2c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cc(O)nc(O)c3)CC4)cccc21 1818556556 YKMFTDKRZDNEJY-LBPRGKRZSA-N 464.507 2.376 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2CCCCO2)[nH]n1 1823496073 CJESOSOTDYYYDN-ZFWWWQNUSA-N 465.601 2.221 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CC(=O)N3)[nH]n1 1823499859 BPQGNQOYDVKNON-MRXNPFEDSA-N 498.590 2.071 10 20 JECD O=C1CCc2ccc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cc(O)nc(O)c3)CC4)cc2N1 1824332175 XIRIRJKFCWXMMP-CQSZACIVSA-N 479.518 2.374 10 20 JECD CCC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)COC1 1824922573 GHQXYQHCSAKJMK-FLUIGGAXSA-N 459.524 2.312 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c(C)n1C 1838029975 WZCYSMLGWZQDTM-UHFFFAOYSA-N 456.543 2.374 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1839433691 PVQIQBGFTJDGKA-QHCPKHFHSA-N 486.912 2.011 10 20 JECD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501300 YMIHOFYYIBHALF-INIZCTEOSA-N 495.960 2.204 10 20 JECD CSc1ccc(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cn1 727228007 QKDIGEZXDHVKOM-UHFFFAOYSA-N 481.557 2.314 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)N(CC3CC3)C4=O)CC2)cc1 727946588 AETXOBSZDSHUFI-UHFFFAOYSA-N 476.533 2.379 10 20 JECD COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)CC2)c1 746981054 JRAMYBNONNBQCO-UHFFFAOYSA-N 492.623 2.133 10 20 JECD CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 916676238 CTRZAZBAQUCGQJ-QFIPXVFZSA-N 473.595 2.489 10 20 JECD O=C(CN1CCC[C@@H](c2cc[nH]n2)C1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 917174042 MLFZXGMEILFWHT-MBTVCVBTSA-N 499.618 2.335 10 20 JECD NC(=O)CNc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 919467797 DBXKFVHQEVYYGB-UHFFFAOYSA-N 457.442 2.155 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(I)ccc1-n1cnnn1 919859863 IUJYOOJWSLBZQU-UHFFFAOYSA-N 490.305 2.034 10 20 JECD O=S(=O)(c1cccc2nsnc12)N1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1 1321621349 QJOCDIBHOPJXSO-UHFFFAOYSA-N 492.526 2.496 10 20 JECD CCc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)no1 1779817998 OQMPHJYFMGGJNZ-PXDATVDWSA-N 479.537 2.157 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)cc1 1781753775 QJGKRLDUHLYJFH-SANMLTNESA-N 489.532 2.340 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cccnc1S 1783547234 WRERLDACSHWXAC-YLVFBTJISA-N 463.943 2.342 10 20 JECD COc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)n1 1785230561 NOKSVQDPABFLNL-VHFSOBRXSA-N 489.956 2.381 10 20 JECD CCC[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)n1cccc1 1785508866 KPTBDAXKTSCJFU-RBYHXMTESA-N 469.538 2.489 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCNC(=O)C4)C[C@@H]32)cc1 1790126086 QVYKGQVRJGAZNR-KJBBBAAKSA-N 478.593 2.214 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc(C(F)(F)F)c[nH]1 1796550311 FOJBMUAQCLXXPK-RJSSMCAOSA-N 481.427 2.067 10 20 JECD COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cn1 1799620442 NQEYHACZSLLYCK-IRJINJETSA-N 475.549 2.410 10 20 JECD CN(C)c1c(F)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1F 1800811821 YAJNUJBGHTWCEE-BTTYYORXSA-N 482.578 2.143 10 20 JECD COCCCC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1802975845 TUPFBETYGDUQES-NTKDMRAZSA-N 463.538 2.307 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCNC(=O)c1ccccc1)C1=NN(c2ccccc2)C(=O)C1 1804058268 MNZMIANAXIDCTA-QQFNCUIESA-N 487.560 2.238 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCc2ccc(F)nc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993222 GYJAJFJKQBIZMH-GAJHUEQPSA-N 465.485 2.374 10 20 JECD C[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)O1 1817362430 OUAZCPUISIGYOW-QWQRMKEZSA-N 467.551 2.416 10 20 JECD O=C(/C=C\C(=O)NC1CC1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1819531301 ANAQJMHXHBYWNB-FOQNGQEVSA-N 476.942 2.268 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2)n1ccccc1=O 1820134639 MPRYAIAVEXQNQI-HEESEWQSSA-N 496.545 2.308 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(-c4cccnc4)[nH]n3)sc2C1)c1cc(O)nc(O)c1 1820611066 DBPYFRULVTWCDW-CYBMUJFWSA-N 477.506 2.274 10 20 JECD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)n1ccnn1 1821726224 JTLAXJHSAHLUQL-PSYXSKQDSA-N 467.486 2.085 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)N(C)C(=O)OC(C)(C)C 1822603188 GBMVCAYJVKCRMC-DGCLKSJQSA-N 491.570 2.431 10 20 JECD C[C@H](Oc1cccnc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822816183 WVYFSYPVXMCLOX-GUYCJALGSA-N 452.471 2.384 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)COc2ccccc2)[nH]n1 1823496171 HPIKKINTYPNMCB-MRXNPFEDSA-N 473.580 2.341 10 20 JECD COc1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1825905967 SLDWULSGTNQCSV-KRWDZBQOSA-N 476.624 2.184 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C(F)F)no1)CC2 1828242149 AAJXONQWAHXJBQ-SSDOTTSWSA-N 487.535 2.155 10 20 JECD Cc1ccc(OCC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834537187 GDGUHYAMEWHACO-UHFFFAOYSA-N 468.554 2.065 10 20 JECD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1834774859 GTWPVXFUWITJRO-RTHIIRHPSA-N 495.576 2.283 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)CC1)c1cc(O)nc(O)c1 1834988031 KSIYTJHSRKVUAA-UHFFFAOYSA-N 496.564 2.040 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccnc(C(F)F)c3)CC2)CC1)c1cc(O)nc(O)c1 1834988116 ORAPSBDRJSKBCK-UHFFFAOYSA-N 475.496 2.324 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CC3(F)F)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132854 SMXADCGOCUFLEX-LJQANCHMSA-N 473.524 2.006 10 20 JECD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)c1ccccn1 1839433425 UVMHTAGTXDDVQB-NPMXOYFQSA-N 475.929 2.020 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433583 YFLXNWAXUGTMGL-VOIUYBSRSA-N 490.940 2.289 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CCNS(=O)(=O)c3cccc(Cl)c3)CC2)cc1 24110170 RHISXBKBXOQDBR-UHFFFAOYSA-N 495.045 2.346 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N[C@@H](CC(=O)N(C)C)c3ccccc3)CC2)cc1 726241459 XGYJSGXPJVTVLT-QHCPKHFHSA-N 453.587 2.336 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CNC(=O)NCc3ccc(Cl)cc3)cc2)C1 727372453 GSTATLPRAZWWFL-SFHVURJKSA-N 457.962 2.157 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(CCc4cccs4)CC3)CC2)cc1 742939559 ILHDHEJSEZMMHD-UHFFFAOYSA-N 457.644 2.449 10 20 JECD CCOc1ccccc1C(=O)N1CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 743363990 ZUAIVJLONOKNIN-UHFFFAOYSA-N 495.624 2.384 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)cc1 917731532 GFSCFCILXQDIJT-UHFFFAOYSA-N 451.448 2.151 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CCNS(=O)(=O)c3cccs3)cc2F)C[C@@H](C)O1 918141342 UUZMVGCZMQGOIQ-HUUCEWRRSA-N 455.577 2.486 10 20 JECD Cn1ccnc1[C@@](O)(CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F 918205063 GDKIVRWLHKDCGL-IBGZPJMESA-N 459.444 2.035 10 20 JECD Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2=O)cc1F 918876518 UMNULNZYHGYMOG-SFHVURJKSA-N 487.503 2.322 10 20 JECD C[C@H](OC(=O)Cc1nc2ncccn2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 919147772 BZEGBTMQVULPHU-ZDUSSCGKSA-N 455.430 2.013 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1c[nH]c3ncccc13)C2)c1cc(O)nc(O)c1 1777851112 AVPOPNNXDWOFOA-KBMIEXCESA-N 479.537 2.129 10 20 JECD COC1(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)CCC1 1778127199 FNRDMSNTWPREJQ-PXDATVDWSA-N 482.581 2.252 10 20 JECD CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1780421490 ULKAHLIPOMEEAF-QHCPKHFHSA-N 488.497 2.190 10 20 JECD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)nn1C(F)F 1782007669 VWXPAZKVTRXSLX-HXUWFJFHSA-N 470.860 2.409 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc2cccnc2n1 1788285630 MZFMPRRTKOZBJA-URZAVPNBSA-N 490.516 2.053 10 20 JECD Cc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)sc1C 1789133173 PSECZMUMDWFZMY-QRFRQXIXSA-N 481.578 2.146 10 20 JECD O=C(COc1ccc(O)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796930844 FIRGNJJRTNJJGO-GGPHIMKMSA-N 462.506 2.202 10 20 JECD Cc1cc(Br)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1799498610 RWGFRXFXQNIYQM-HBCWATKFSA-N 476.327 2.081 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CNCP(=O)(O)O)C3)cc1 1800513398 JNTCMWSDTIFVJI-NUZGMZIFSA-N 474.498 2.071 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc2c(c1)CCCO2 1801681522 XAPZVWNAMODYOG-SKMDJGCISA-N 480.517 2.045 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cccnc2Cl)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993857 OJKSIWSKJIBADH-IIBYNOLFSA-N 467.913 2.499 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)COc3ccccc3)C2)CC1 1809176598 MGPCTONSNGSWMX-UHFFFAOYSA-N 461.609 2.157 10 20 JECD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n[nH]1 1810423071 WNKPLINGECZGOY-UQBPGWFLSA-N 485.548 2.155 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cc(O)ccc1F 1810926649 ZWZXOHFBUXADKT-VLIAUNLRSA-N 488.566 2.106 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(O)cc([N+](=O)[O-])c1 1811678164 DQDWLULYJMRLGQ-SZNDQCEHSA-N 479.449 2.135 10 20 JECD CC(=O)Nc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1O 1812047753 CTCXGMGWIJRKDO-SBUREZEXSA-N 491.504 2.185 10 20 JECD Cc1nnsc1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814163496 DYQZFXZGBIVTNO-LFSKPYRXSA-N 481.534 2.391 10 20 JECD O=Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)s1 1817488496 YZDXWUIEZUSIKS-ZDUSSCGKSA-N 477.593 2.450 10 20 JECD Cc1cccnc1CCC(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240381 SUICUGHJQWPIKQ-CYBMUJFWSA-N 489.648 2.252 10 20 JECD Cc1ccc(S/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)cc1 1837388130 JPQOGTJTAZJKCI-YDSNZTKKSA-N 485.562 2.177 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3n[nH]c4cccc(F)c34)CC2)CC1 1838031893 XCRBLPDADZCBAE-UHFFFAOYSA-N 483.500 2.434 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)sc1Cl)CCO2 1838235949 STIMQMALURBDGI-IBGZPJMESA-N 488.349 2.245 10 20 JECD Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)no1 1838804120 CKFJSLIYCBPEDF-HWKANZROSA-N 485.537 2.354 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)C3(F)CCCCC3)C2)C1 1839433837 CYARNXKWJALJAZ-NRFANRHFSA-N 470.925 2.494 10 20 JECD COc1cccc(CNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1O 729545436 FFDKUFYSAVFKEW-UHFFFAOYSA-N 490.582 2.344 10 20 JECD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(N4CCCCC4)cc3)c2)CC1 742483393 JUZIEKSNCBJUGW-UHFFFAOYSA-N 484.622 2.460 10 20 JECD CCN1CCN(Cc2ccc(CNC(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)cc2)CC1 742940379 RNBYDKZIDINHIG-UHFFFAOYSA-N 494.684 2.454 10 20 JECD CC(C)COC(=O)N1CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 749253359 FRBFDTPFBGCMFN-KDURUIRLSA-N 464.582 2.466 10 20 JECD O=C(CN1CCC[C@H](c2cc[nH]n2)C1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 917174043 MLFZXGMEILFWHT-VBNMEBLOSA-N 499.618 2.335 10 20 JECD O=C(N[C@H]1CCN2CCC[C@H]2C1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 917291996 GMORUVACOLNBCD-HOCLYGCPSA-N 460.512 2.458 10 20 JECD COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccc(OC)cc4OC)n3N)CC2)cc1 917344343 LUIYVGPMUSCRAC-UHFFFAOYSA-N 484.582 2.126 10 20 JECD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918373366 WVJKUYSHAGGJEH-SFHVURJKSA-N 470.595 2.067 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)COc3ccc(C=O)cc3)cc2F)C[C@@H](C)O1 919040973 KMQRCFCUAAAIRL-CALCHBBNSA-N 458.486 2.490 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 919697959 PNEZCTLLSAHMMT-IBGZPJMESA-N 478.528 2.200 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)N1CCc2cc(F)c(F)cc21 919800244 PLHZSQVIFIIESI-UHFFFAOYSA-N 496.493 2.426 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 919821476 HSDIXJLJWSRIDV-LJQANCHMSA-N 488.566 2.149 10 20 JECD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 920482521 RAPYJIZSYPMYNO-UHFFFAOYSA-N 470.525 2.212 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)C2)C1=NN(c2ccccc2)C(=O)C1 1778127643 ULKUOXOSIJOMEW-QBJNZZKDSA-N 480.590 2.168 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(OCC4CC4)cc3F)C2)C1 1781438410 DHJPRMDIGVBZOU-DEOSSOPVSA-N 471.485 2.178 10 20 JECD Cc1nc2ccccn2c1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005538 MFHJWCPUWYTEFE-HSZRJFAPSA-N 470.913 2.465 10 20 JECD O=C(CCc1ccccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1785434000 QWBHYQADQMQBBU-VHFSOBRXSA-N 459.930 2.372 10 20 JECD C[Si](C)(C)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)co1 1785506926 GOWXRETYWXPXTA-COIATFDQSA-N 486.597 2.099 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)[C@@H](F)C1 1796600962 LOLXJMJHLLNJQT-ILOCAZANSA-N 492.548 2.340 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)C1CCC(CO)CC1 1796931239 XGPXCVLKTLXVDB-KJESVFTCSA-N 452.555 2.216 10 20 JECD C[C@H]1CCc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)n[nH]c21 1796974389 XXWLTOHDZIKJSE-FSAGPHNTSA-N 460.918 2.041 10 20 JECD COc1ccc2nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CN3C(=O)CSC3=S)C4)ccc2c1 1797529261 PCFMJOGCXJVOSO-MUJYYYPQSA-N 484.603 2.356 10 20 JECD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cc2c[nH]nc12 1799768010 LMVJWFPBCSKYNE-CWPLJXCYSA-N 470.913 2.453 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2ncnn2c1)c1cc(O)c(O)c(Cl)c1 1799854267 PUVZJICKVBNJLP-MUJYYYPQSA-N 455.902 2.288 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CNc3ccccc32)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995347 YEAUTUBFTPPUBG-XKDCRVNJSA-N 459.506 2.417 10 20 JECD Cn1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c2cccnc21 1807995924 LCMCGJYURPWALW-OPAMFIHVSA-N 472.505 2.408 10 20 JECD Cc1ncncc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808470349 WDYYUVVMIFJXER-YADARESESA-N 483.532 2.293 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810281843 HHTQQNWYBMXAQW-SBUREZEXSA-N 489.532 2.237 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cc2ncccc2[nH]1 1812080469 XCQPFKJKNNLADO-YCRPNKLZSA-N 494.602 2.138 10 20 JECD Cc1[nH]nc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)c1F 1814163024 VNSJXFOYUZOIFX-LXBVETIDSA-N 481.484 2.402 10 20 JECD CSCC[C@H](O)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814165936 MGTKXWLDKBSLAT-ABBDZDFZSA-N 487.578 2.032 10 20 JECD O=C(Cn1cc(Cl)cn1)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361963 CSZQCBTULWOBOW-AWEZNQCLSA-N 497.968 2.398 10 20 JECD CC(=O)c1cc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n[nH]1 1817363631 KJPWKRTZDFYHQR-ZDUSSCGKSA-N 491.533 2.088 10 20 JECD Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)on1 1817364190 PWBIHXGMACHAST-AWEZNQCLSA-N 478.534 2.387 10 20 JECD CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)C(=O)OC(C)(C)C 1817844592 GAAWWAAOZYTIRX-OAHLLOKOSA-N 474.518 2.389 10 20 JECD CCOC(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)OCC 1823499673 SPKRKRFBQSRVPO-CQSZACIVSA-N 483.616 2.051 10 20 JECD Cc1cc(C)n(CC(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)n1 1828194892 ARTPLGPQYUVJKE-LWUPOJRFSA-N 483.550 2.399 10 20 JECD Cc1ccc(OC(C)(C)C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)nc1 1834988928 VONUOWPXCIOSGH-UHFFFAOYSA-N 497.596 2.239 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)cn3)C2)C1 1839433300 DYIFSKWBXRWBMC-OAQYLSRUSA-N 482.320 2.183 10 20 JECD CC(C)(C)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)[nH]n1 1839433473 IXCHNYJWQDFPIR-HSZRJFAPSA-N 492.960 2.156 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CCc2ncccc2-3)C1 1844664170 OUYZBQXWWIRUKK-WEVVVXLNSA-N 487.516 2.218 10 20 JECD Cn1ncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2=NN(c3ccccc3)C(=O)C2)c1C(F)(F)F 1848302648 DNNOAZFOFZGPQU-IRXDYDNUSA-N 474.443 2.047 10 20 JECD COc1ccc(N2CCN(C(=O)CSc3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)cc1 26211124 QQSXBJDHATUXBC-UHFFFAOYSA-N 476.624 2.316 10 20 JECD COc1ccc(N2CCC(NS(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)cc1 726602198 SPOONNCAESJONE-UHFFFAOYSA-N 465.597 2.083 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCN3C(=O)c3ccc(OC)cc3OC)CC2)cc1 742920795 UJDWILWPNZEVNK-XMMPIXPASA-N 496.608 2.255 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Cn3cnc4sc(C)c(C)c4c3=O)CC2)cc1 742927575 VBIPRZOLMAPSGI-UHFFFAOYSA-N 455.584 2.022 10 20 JECD CCN1C(=O)C(=CNc2ccnn2Cc2ccc(OC)c(OC)c2OC)C(=O)N(CC)C1=S 814316185 DPMQAWRJQIFGLB-UHFFFAOYSA-N 473.555 2.249 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3cccc(Br)c3)cc2)C1 918373278 VCFDWVOUXHCXLS-KRWDZBQOSA-N 473.371 2.197 10 20 JECD Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cn2)n1 918443223 UKPAXDGOZJPBKC-UHFFFAOYSA-N 462.554 2.348 10 20 JECD O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCN(CC2CC2)CC1 920457071 KCLPXBCXVISNDU-UHFFFAOYSA-N 460.512 2.269 10 20 JECD COC(=O)c1c(NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)sc(C)c1C 920636979 RDQNWESQZYYXJR-UHFFFAOYSA-N 456.498 2.024 10 20 JECD Cc1ccc(S(=O)(=O)Nc2ccc(NC=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)cc1[N+](=O)[O-] 920977782 MLHKQDDWUMDVBQ-UHFFFAOYSA-N 473.467 2.050 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921030116 BBJNIAPFMFMMHU-UHFFFAOYSA-N 466.654 2.235 10 20 JECD O=C(c1cnn(-c2cccnc2)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004877 OUZIPTZIRMRHIC-HSZRJFAPSA-N 483.912 2.089 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC[C@H]3CCCC[C@H]31)CCO2 1785539700 GOUIPPOIWLKAMY-NWFVXXGESA-N 479.668 2.283 10 20 JECD Cc1cnn(CC(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)c1 1792313988 RSDVXNPHLGTYPS-UHFFFAOYSA-N 457.581 2.186 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)ccc1OC(F)(F)F)C2)c1cc(O)nc(O)c1 1796139597 IDHKVEQJQJEHOH-KSPBDQMDSA-N 485.390 2.048 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc2cc[nH]c2cc1F 1798571299 QWSLEFDNRIGWPX-RWORNESQSA-N 481.480 2.340 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)C1CCC(CO)CC1 1804216031 LHJWKQNLVRZUOA-YNILIBFXSA-N 454.527 2.006 10 20 JECD O=C(COc1ccc(F)cc1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1806478644 WQTCMKJPFBFXLT-QMHKHESXSA-N 466.469 2.426 10 20 JECD Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1806605864 IFKQKVIVSPKUBK-WMZHIEFXSA-N 482.631 2.499 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1ccnnc1O 1811227518 HPDFIRZCZVKYJJ-ACJLOTCBSA-N 469.885 2.275 10 20 JECD O=C(CCc1cccc(O)c1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1813184495 KFNUWKUJWGFAQJ-WZONZLPQSA-N 498.630 2.286 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CCc2ncc[nH]2)[C@@H]1c1cccnc1 1814164988 APXXCOJEPXCAAS-JHXXMYRRSA-N 477.521 2.274 10 20 JECD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)C1 1817843394 LJDUEFPWFKOAGK-WOSRLPQWSA-N 457.487 2.111 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CSc2ncccn2)[nH]n1)c1cc(O)nc(O)c1 1817844600 GNJNYEOSDKLTBF-CQSZACIVSA-N 455.500 2.104 10 20 JECD Cn1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c2cccnc21 1819231297 AEOIRNBPDAFYOI-MRXNPFEDSA-N 497.606 2.463 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCCC3)[nH]n1 1823499914 FMVXQTZSFICGDD-INIZCTEOSA-N 487.611 2.109 10 20 JECD O=C1OCCN1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1824337285 UAZBIYMNBHIQGI-QGZVFWFLSA-N 465.934 2.437 10 20 JECD O=C(Cc1ncccn1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714900 IVBDFDJMCLQCMA-JOCHJYFZSA-N 474.565 2.432 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)C1CCCCC1)CC2 1828242877 UIKYTBXNCVUFSW-LBPRGKRZSA-N 452.627 2.496 10 20 JECD C/C=C/C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCN2C(=O)OCc1ccccc1 1829037519 OLXXKLXVIRJDTC-GVKJAXJASA-N 480.521 2.135 10 20 JECD CCOC(CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)OCC 1832014335 FRSOKGOIAYWXPU-KRWDZBQOSA-N 485.672 2.256 10 20 JECD CN(C)c1cncc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1 1832896978 XHRRLQJUQDITTL-IBGZPJMESA-N 489.667 2.241 10 20 JECD O=C(c1ccc(CO)c(F)c1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899974 GQZRLGIVNXILBE-IBGZPJMESA-N 493.626 2.412 10 20 JECD O=C(Cc1cccnc1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902821 YLNRQZIVLPOUMY-SFHVURJKSA-N 460.625 2.104 10 20 JECD Cn1cccc1C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1834099342 FJCFEYPIVVZDPO-UHFFFAOYSA-N 476.581 2.003 10 20 JECD Cc1nc(C)c(C(=O)NC2CCN(C3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)o1 1835940578 UWQBTRJIIBXPJP-UHFFFAOYSA-N 492.580 2.270 10 20 JECD O=C(c1n[nH]c2cccc(F)c12)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442731 ZKEYBSCIMMMRHG-UHFFFAOYSA-N 460.469 2.312 10 20 JECD O=C(c1c[nH]c2cccc(Cl)c12)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056605 SJXDNACNBDTMPK-UHFFFAOYSA-N 462.984 2.499 10 20 JECD O=C(c1ccc(OCC2CC2)c(F)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056691 XLYXJKMGPOHYSC-UHFFFAOYSA-N 477.583 2.292 10 20 JECD O=C(NCc1ccccc1O)C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 726722300 UZUZLXRZVXFCHL-UHFFFAOYSA-N 459.550 2.407 10 20 JECD CN(CCN1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1)Cc1ccccc1 729598457 AVIQDTYNWGODMQ-RUZDIDTESA-N 492.668 2.348 10 20 JECD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)c2ccccc2O1 750340165 GDOMKFODXDBIRS-QFIPXVFZSA-N 452.555 2.468 10 20 JECD CCOCCCNC(=O)[C@H](C)OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 822947945 HLWJHHOYKCACKF-ZDUSSCGKSA-N 454.435 2.458 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)c2C)cc1 914658095 YVHIKKUELRMLRQ-UYAOXDASSA-N 472.563 2.164 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CSc3nnnn3C[C@H]3CCCO3)cc2F)C[C@@H](C)O1 917201491 OTKCVHQHHGQKST-BFYDXBDKSA-N 464.567 2.013 10 20 JECD COc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1S(=O)(=O)N1CCCC1 917707581 OUCISBIRPILCNF-UHFFFAOYSA-N 477.558 2.385 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(=O)Nc1ccccc1-n1cncn1 918275346 RZSLHPYPRUBNLF-UHFFFAOYSA-N 474.443 2.378 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(CNC(N)=O)cc3)cc2F)C[C@H](C)O1 918985115 VLIPSIMGGLZQQG-HOTGVXAUSA-N 472.517 2.081 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3COc4ccccc4O3)cc2F)C[C@@H](C)O1 919040952 JYGMEXLKQUSTHR-XCGNWRKASA-N 458.486 2.439 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CC(=O)N(CC(F)(F)F)C3)cc2F)C[C@@H](C)O1 919093526 NMJBCJKBSSWCKW-IJEWVQPXSA-N 489.466 2.010 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(N2CCNC2=O)cc1 919761540 HXXGIZDYMLGGQY-UHFFFAOYSA-N 475.528 2.402 10 20 JECD CC(C)(C)C(=O)C=c1sc(=Cc2ccc(N3CCCC3)cc2)c(=O)n1CC(=O)NC[C@H]1CCCO1 1319161855 VSBRFEXPLHVEJY-OAQYLSRUSA-N 497.661 2.030 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3ccc4occc4c3O)C2)C1 1782395009 WEZJVMBPRONDCR-AREMUKBSSA-N 488.500 2.375 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c(F)c1F 1783247108 SOMHCVMDMWBWFH-IVZQSRNASA-N 497.589 2.261 10 20 JECD C[C@@H](NNc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1783560456 SWPDUVUZILSARM-DQTJMLIDSA-N 488.972 2.350 10 20 JECD COc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)n1 1790241984 BKMRNDCEOZCOPW-YEWDVWPNSA-N 461.902 2.062 10 20 JECD O=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CCC3)cc2)CCN1 1791654625 GDZGNGWGLGDHJB-KRWDZBQOSA-N 473.533 2.440 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4ccoc4C3)C[C@@H]21 1792217428 CFEHZKDPSLXEKM-YVCNVQEASA-N 482.533 2.194 10 20 JECD O=C(/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2)NCc1ccccc1 1793072000 SZOIJNXRFIJCHA-WYMSXFMSSA-N 499.571 2.290 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796482657 LUNSAMNTDPQSRB-MPUYOSENSA-N 472.545 2.173 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccncn1 1796985229 UOOCZQFGVDWPQF-XAPVIXHLSA-N 494.596 2.447 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2scnc2c1 1798159369 YBALCJKHQKJHGX-BTTYYORXSA-N 460.606 2.408 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(OCC(F)(F)F)c(F)c1 1799424503 OBBYTUMLQKXWKJ-HBCWATKFSA-N 499.417 2.090 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1809669247 XAYCNXMMSIHPPO-HSSOGYSNSA-N 460.625 2.384 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCn2ccnn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810046 QWDGYSXRSZKJQX-FOIQADDNSA-N 470.917 2.148 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)C2CCOCC2)[C@@H]1c1cccnc1 1814162541 LXBRJCQWOXPJIQ-MYEWIJLCSA-N 467.522 2.344 10 20 JECD CCc1cnc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1814188852 BWPKVVKGTWTPHG-KBXCAEBGSA-N 489.648 2.280 10 20 JECD Cc1nscc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816262451 JAMSCYGYDKPXRW-CYBMUJFWSA-N 464.598 2.341 10 20 JECD CCO/C=C/C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817366938 KLNWCISZRUZPQV-PLSXKVAHSA-N 453.524 2.398 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(N4CCCC4)ccn3)sc2C1)c1cc(O)nc(O)c1 1817578277 LPTVFAVMAYPREZ-CQSZACIVSA-N 480.550 2.484 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@H]1ON=C(c2ccccc2)O1 1819298458 OTNIFRATUYORSS-QMHKHESXSA-N 478.465 2.257 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)[nH]n1 1823475107 BZLFXUCKMSIYEF-QQOXCAACSA-N 465.466 2.179 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cncc3cnccc13)CC2 1828246540 AIDFPPXBNMGFGT-LBPRGKRZSA-N 498.615 2.172 10 20 JECD Nc1n[nH]c(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)CC2)n1 1830739272 FMQGOFZFZRYYSX-INIZCTEOSA-N 476.965 2.318 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CO)c(F)c2)CC1 1832736271 AXTBQPDVSRQEFE-IBGZPJMESA-N 493.626 2.412 10 20 JECD Cn1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)cn1 1832876526 HSXZBRIYDLTJSI-FNQPIQQGSA-N 454.527 2.484 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)[C@H]1C[C@H]1C1CC1 1833249134 FPQCRBCPVSSVQZ-GOTSBHOMSA-N 477.609 2.397 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cnoc1C1CC1)CCO2 1834617091 FYDZJDBKGRYTJB-QFIPXVFZSA-N 477.901 2.000 10 20 JECD Cc1nn(C)cc1C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331066 ZOKPVSATQBBQSW-OAQYLSRUSA-N 496.612 2.264 10 20 JECD Cc1cccc2c(C(=O)N3CC4(CCCN4C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)n[nH]c12 1843442500 NWWLJSGMDOXAOF-UHFFFAOYSA-N 456.506 2.481 10 20 JECD C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1C(=O)NC2(CCCC2)C1=O 110327498 SCXAUIKICGMPJI-CQSZACIVSA-N 468.476 2.411 10 20 JECD O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)c(F)c1 728316928 WSFQUHGJDAXEOE-UHFFFAOYSA-N 498.960 2.339 10 20 JECD Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C)n1-c1cccc(Br)c1 728699458 VHIZYSHMKBNUBZ-UXHICEINSA-N 496.427 2.084 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)c1 728981533 CGNFOUCTYWVTBT-BBRMVZONSA-N 460.508 2.215 10 20 JECD CC(C)N[C@@H]1CCCN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)C1 731033178 WMNHMUAOQPVFRY-MLHZQLSASA-N 490.651 2.195 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3Cc4c(OC)ccc(OC)c4[C@H](O)C3)CC2)cc1 743358527 LZMBBYQNUDUJKR-OAQYLSRUSA-N 470.570 2.093 10 20 JECD C[C@@H](NC(=O)CC1CCCCC1)C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 750236097 VLACYRIHJAJKRG-QGZVFWFLSA-N 463.550 2.297 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)cc2)C1 917833884 UYDQLUVPWVRHKF-NRFANRHFSA-N 484.622 2.493 10 20 JECD CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 917927918 MRRKHIVFLIRKKT-UHFFFAOYSA-N 479.624 2.127 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2)C1 918122549 MPXJJZQYKYBNMR-FQEVSTJZSA-N 483.588 2.488 10 20 JECD CC(C)(C)NC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 918285086 XBLACAQSMNRMPR-UHFFFAOYSA-N 456.518 2.446 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cn3c(S)nnc3-c3cccs3)cc2)C1 918371582 HHZIQNYCIQJMMC-HNNXBMFYSA-N 456.597 2.313 10 20 JECD C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1ccc(N2CCOCC2)cc1 920880709 MSCLEJLKSZTFMP-UPCLLVRISA-N 454.502 2.307 10 20 JECD Cc1cccc(/C=C/C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)n1 1777846868 VOMNNZRRDMFBNZ-SHRAGUKFSA-N 452.511 2.037 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccnnc4O)C3)C2)cc1 1779920695 PPXVWWWFLQUVDN-VWLOTQADSA-N 461.522 2.347 10 20 JECD O=C(c1cnc(-c2ccccn2)nc1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005153 WPDIZBXTVAORRZ-DEOSSOPVSA-N 495.923 2.361 10 20 JECD COc1cccc2[nH]cc(C(=O)N3CC[C@@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)c12 1782378733 ASGXHHLFRRQEEI-WHVGEVHXSA-N 493.516 2.450 10 20 JECD O=C(Cc1ccc2ccccc2c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1786445816 KNXMTVDSIRQAQD-BVSLBCMMSA-N 461.518 2.482 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(-c4cnco4)c3)C[C@@H]21)c1cc(O)nc(O)c1 1787294163 GNVCBPHNMFFDKB-QRFRQXIXSA-N 464.478 2.055 10 20 JECD NC(=O)c1ccccc1C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1790695849 RRDWISHKOXSVMY-UHFFFAOYSA-N 482.587 2.394 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1c(F)ccc(F)c1F 1793880724 BXVDHRRWQANCBO-ZSBIGDGJSA-N 471.526 2.145 10 20 JECD Cc1ccc(F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796479079 BHCYIXOMSNXOAL-GPVSGQMNSA-N 464.497 2.130 10 20 JECD CC(=O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1803407117 YVDKVVRIPTXELB-AUSIDOKSSA-N 475.549 2.496 10 20 JECD Cc1ccc(COCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1C 1804333440 LACCIPJGAPEDLY-REPLKXPHSA-N 475.636 2.319 10 20 JECD O=C(Cc1ccccc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1806519902 JEZJJIFNJVLLNQ-PGRDOPGGSA-N 468.604 2.190 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CSc2ccncc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994176 SQMNJHIEHPKRQF-AOMKIAJQSA-N 465.535 2.395 10 20 JECD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810546283 ANDBLHTWRXOLMD-MRXNPFEDSA-N 484.528 2.295 10 20 JECD Cc1cccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)c1 1813920658 FDEPREBEAOCEAD-AWEZNQCLSA-N 474.633 2.467 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccc(CO)o2)[C@H]1c1cccnc1 1814163859 OCTYPTRSERNNPZ-YXPIPHOMSA-N 479.489 2.317 10 20 JECD Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)o1 1814185000 KCBDTXZACMYTOC-KXBFYZLASA-N 458.565 2.163 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)CCOc2ccccc2)[C@H]1c1cccnc1 1814185669 DURGXWQNJPRWEH-JPYJTQIMSA-N 498.630 2.417 10 20 JECD CC(C)n1nccc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814189171 MTQCXWKMODSLQW-UZLBHIALSA-N 486.623 2.039 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3nccc4[nH]ccc34)sc2C1)c1cc(O)nc(O)c1 1816845957 JYZGOTXAJKBFHR-LLVKDONJSA-N 450.480 2.365 10 20 JECD COc1ccnc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)c1OC 1820386521 OORSWPLXTJQTHF-AWEZNQCLSA-N 468.470 2.248 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822783636 VGDIYWWOWYLYLC-HIFRSBDPSA-N 488.595 2.125 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(O)c(F)c2)[nH]n1 1823499469 HTGKAUTVVHGXLK-AWEZNQCLSA-N 477.543 2.421 10 20 JECD COC(=O)C12CC(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)/C=C/c3ccc(O)c(O)c3O)CC4)(C1)C2 1825559916 DMTSYXMKFWFLBC-VVNZIRKMSA-N 499.545 2.229 10 20 JECD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)n1ccccc1=O 1827428596 YISIUWLMRAJKRK-LPHOPBHVSA-N 454.527 2.149 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3ncoc3c1)CC2 1828244312 ANWCLKXGWRIWRY-LLVKDONJSA-N 487.588 2.370 10 20 JECD Cn1c(CC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc2ccccc21 1833229997 ILJAKQJYCVOEHK-UHFFFAOYSA-N 491.592 2.412 10 20 JECD CNc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)cc1 1837854790 BBRGMIUZIWWQIN-UHFFFAOYSA-N 490.651 2.201 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CNC(=O)c1ccc(Br)cc1 27068775 KNRLHNVSMDALKH-UHFFFAOYSA-N 462.344 2.447 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cc(F)cc(N4CCOCC4)c3)CC2)cc1 726728130 NSHUYUAQPOIXPY-UHFFFAOYSA-N 456.518 2.395 10 20 JECD CC(=O)N1CCN(CCOc2ccc(CCNC(=O)N(C)Cc3ccccc3O)cc2)CC1 728135011 RTAJSTOGGZRPBX-UHFFFAOYSA-N 454.571 2.319 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)C3CCN(C(=O)COc4ccccc4)CC3)CC2)cc1 915030483 URXOLEMTCXEICX-UHFFFAOYSA-N 495.576 2.205 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(N4C[C@@H](C)O[C@H](C)C4)nc3)CC2)cc1 915035509 NPPZZNQLPREHTR-RTBURBONSA-N 468.554 2.209 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CS(=O)(=O)Cc3ccc(Cl)s3)CC2)cc1 916534512 JXZUGUWXDXZFMN-UHFFFAOYSA-N 486.999 2.217 10 20 JECD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)C[C@@H](C)O1 917707391 CNYFQTIUBLWNBN-HDICACEKSA-N 491.585 2.390 10 20 JECD CCS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918286290 GUNUJRBGAYXNQR-HOTGVXAUSA-N 477.558 2.488 10 20 JECD C[C@H](NC(=O)c1cccs1)C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 919049820 AGTHCTGFWNDXSV-OAGGEKHMSA-N 477.558 2.479 10 20 JECD C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 920879478 NDQNMVZVDWQYAD-FQEVSTJZSA-N 487.622 2.354 10 20 JECD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)n(C(F)F)n1 1780313545 UNNKOFJONBXTQP-FQEVSTJZSA-N 470.860 2.409 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cccc3nc[nH]c13)CCO2 1782001881 NOAIQJWLIZFXSW-JOCHJYFZSA-N 456.886 2.385 10 20 JECD O=C(COC(=O)C(F)(F)F)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1789456131 CNFIMRCKPJTUTI-UHFFFAOYSA-N 453.373 2.346 10 20 JECD Cn1ncc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1C(F)(F)F 1807991320 OWZXIBAIORVAMO-FZKQIMNGSA-N 490.442 2.274 10 20 JECD CCOCCC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808470266 VGSWSNGAEQYZSZ-YADARESESA-N 463.538 2.307 10 20 JECD CCc1noc(C)c1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1810942871 YRIWZENYVNNORU-QRWLVFNGSA-N 487.607 2.120 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1cc(CO)on1 1811592259 LGIVBOQLEKDPLF-ORAYPTAESA-N 472.885 2.260 10 20 JECD N=C(N)SCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1817302010 IIHFHEVSYWQITG-QGZVFWFLSA-N 482.570 2.211 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cc(O)cc([N+](=O)[O-])c1 1821261159 KGZWMRFISGSUEQ-INIZCTEOSA-N 468.426 2.449 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnn3cccnc13)CC2 1828198792 JTPLJHCELPFIQQ-MXPWBENCSA-N 492.517 2.242 10 20 JECD O=C(CCc1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1833051037 LSUCFKGQFZQMIF-JOCHJYFZSA-N 464.902 2.047 10 20 JECD Cn1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c(C(F)(F)F)c1 1835229288 BPEXVQQOZDHDGG-UHFFFAOYSA-N 495.502 2.349 10 20 JECD CCn1nccc1C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837540471 UDHNHNRARWKXBB-UHFFFAOYSA-N 492.580 2.308 10 20 JECD O=C(CNc1ccc(F)cc1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837845411 SNOGSAXHZRINOD-UHFFFAOYSA-N 472.517 2.356 10 20 JECD CC(C)NCCC(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1837910983 JEZSJWLQEHGHIX-GQCTYLIASA-N 475.586 2.203 10 20 JECD CC(C)=CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1839114752 YOXPDCIIJFEZOX-RXVLNYDTSA-N 460.527 2.019 10 20 JECD C/C=C/C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1845962713 WCMAVYIOAZAJFN-QQOXCAACSA-N 459.543 2.313 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C[C@@H](NC(C)=O)c3c(F)cccc3F)CC2)cc1 727376085 RPTSEKRRTAYQRR-JOCHJYFZSA-N 460.525 2.479 10 20 JECD O=C(CN1c2ccccc2N(CC(=O)c2ccc(O)c(O)c2)S1(=O)=O)c1ccc(O)c(O)c1 914684984 UHOHHXODKPHMJJ-UHFFFAOYSA-N 470.459 2.146 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 917938841 KWDCFTNADWJVAQ-GOSISDBHSA-N 463.575 2.325 10 20 JECD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1C 919072242 MBJMQABHRVESBU-RTBURBONSA-N 472.563 2.164 10 20 JECD O=C(COC(=O)CS(=O)(=O)C1CCCC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 919275202 ACEWLVFGHANUNJ-UHFFFAOYSA-N 455.488 2.301 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 919766137 ZIAKTJPXAFLGJF-UHFFFAOYSA-N 452.536 2.071 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCc3ccc(OC)c(OC)c3)CC2)cc1 920253591 CYFGTLBKHUWMBG-ZHACJKMWSA-N 453.539 2.276 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)c1 920637084 YXKGNBRSQHMWHJ-MRXNPFEDSA-N 473.463 2.484 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)C2)C1 1781610924 PMSWTEYIPASZIM-FQEVSTJZSA-N 469.391 2.408 10 20 JECD O=C(NCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)c1ccccc1 1782007510 JVUBRKRQPOYGAL-DEOSSOPVSA-N 487.940 2.015 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4c(Cl)ccnc4c3)C2)C1 1782200515 JNRNPQYKDQUNLZ-QHCPKHFHSA-N 468.897 2.452 10 20 JECD COc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1C 1785509924 CLSKCSPIKNIBER-PMDNVAFQSA-N 468.506 2.277 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)c(O)c1 1790243703 AUNNRKWXYHYBSE-APXLUKDGSA-N 476.913 2.373 10 20 JECD COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cc1C 1792217833 PDQDPNMNAHXUQL-OWNKRJDSSA-N 496.560 2.356 10 20 JECD NC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccccc1 1796123161 HBNQVFVWBKOJQQ-FKVLARQCSA-N 459.550 2.160 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1)C2)c1cc(O)nc(O)c1 1796137569 LDMYDQZDBPVREE-DQJZQPOSSA-N 457.914 2.153 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(-c3ccc(F)cc3)c1)C2)c1cc(O)nc(O)c1 1796137705 SKTUUJQHVKZBGK-FAQVEIGNSA-N 466.469 2.144 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cc2cccn2cn1 1796934689 UJMRGVNJMFCHDO-PDFPEKILSA-N 456.506 2.379 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc2c(c1)CCCC2=O 1797023572 KOENYRLDZSKQJR-NGMCGZGOSA-N 492.528 2.239 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nonc2c1 1797401020 CZLUXRWSUHBHBQ-AKNOBNDCSA-N 450.451 2.305 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc2sccc2[nH]1 1797535469 CERMOGHMDYRCMV-YEZVWNJWSA-N 477.546 2.226 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc2ncccc2[nH]1 1799893689 ABOYPHCDOXHHAR-DBWKPXFBSA-N 456.886 2.145 10 20 JECD COc1cccc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1800682976 PUKAQTZXXDKQMN-BSBJNGEVSA-N 488.544 2.091 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)[C@H]1CC[C@H]2CCC(=O)N2C1 1800718176 LKSOHXURJOIQAY-DWBZUHSKSA-N 461.946 2.404 10 20 JECD C[C@@H](C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1)n1ccnc1 1805732512 XPPPIZGWUPCFOA-IBGZPJMESA-N 462.554 2.468 10 20 JECD COc1ccccc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1811729380 ZGNROSCYXDCQEM-HRAATJIYSA-N 484.603 2.270 10 20 JECD Cc1nccn1CCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1813360155 VZIKEVVDIKRNAR-MBSDFSHPSA-N 464.526 2.193 10 20 JECD COc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1814185975 VYIJYOISIFPYTC-LIRRHRJNSA-N 490.632 2.332 10 20 JECD Cn1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)cn1 1816450068 JZPCNAFGURKBIV-IBGZPJMESA-N 460.498 2.242 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cccc4nc[nH]c34)sc2C1)c1cc(O)nc(O)c1 1816734281 KZWXGTRAQXIDNO-NSHDSACASA-N 450.480 2.365 10 20 JECD CO/C=C(\C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361841 IIBKKVWYISLCKJ-XTZCOPOCSA-N 453.524 2.398 10 20 JECD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)n1 1817845246 HUTDDYFAEIVGAZ-CYBMUJFWSA-N 483.441 2.147 10 20 JECD C[C@H]1CCc2c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CN4C(=O)CSC4=S)[nH]n3)n[nH]c21 1818641410 NLUPZMHRERITJB-FZMZJTMJSA-N 487.611 2.349 10 20 JECD O=C(c1cc(O)no1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716794 WFSLMUSKSUMPBT-IBGZPJMESA-N 465.510 2.406 10 20 JECD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)n1ccnn1 1827717348 BNAMAASDCWFQRB-PGRDOPGGSA-N 477.569 2.252 10 20 JECD COc1ccnc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)c1 1835924653 ISENLQNLAJGRTP-HWKANZROSA-N 496.564 2.106 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCN4C)C3)C2)cc1 1839348842 PGWDGLGINAIXGM-IGKIAQTJSA-N 480.609 2.258 10 20 JECD COc1cc(C)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)c1 1839433173 NWDDHLOHNIPSJQ-XMMPIXPASA-N 490.940 2.452 10 20 JECD Cc1ccc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)c1 1840665146 XOKIWABMMANBPN-MHZLTWQESA-N 490.560 2.166 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2ncn(-c3ccccc3)n2)C1 1843482358 VEXKUGDLDLPQHH-UHFFFAOYSA-N 453.886 2.463 10 20 JECD Cc1nc[nH]c1C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1843522072 NCKUSYLHEGWOHD-QGZVFWFLSA-N 499.568 2.082 10 20 JECD C[C@H]1Cc2cc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2N1S(C)(=O)=O 36784814 UQNLOQHCKFNAOO-INIZCTEOSA-N 459.568 2.279 10 20 JECD CC(=O)N1CCN(c2ccccc2CNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 726236722 QXNKQFDDYVKUQP-UHFFFAOYSA-N 451.571 2.191 10 20 JECD NS(=O)(=O)c1ccc(CNC(=S)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 726468531 JEOWFJUCLWRAGF-UHFFFAOYSA-N 488.557 2.354 10 20 JECD C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)C1 731219792 HWBGVCKWIOZXOG-CTNGQTDRSA-N 475.609 2.184 10 20 JECD NC(=O)[C@H]1CCCCN1C(=O)COC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 913361253 OZVZQZQIZUJCBJ-ADVGAGMGSA-N 481.621 2.139 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(N(C)C)cc3C)CC2)cc1 915744436 GWNTYQUBMKBNCB-UHFFFAOYSA-N 453.587 2.337 10 20 JECD CON(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1Cl 917833198 OCFVCUQUGREBLF-KRWDZBQOSA-N 495.001 2.154 10 20 JECD O=C(NCCc1nnc2n1CCCCC2)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919783298 RFKOKUFJCWKJOU-UHFFFAOYSA-N 493.591 2.302 10 20 JECD CC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919799415 BPELSSMRILMIDF-UHFFFAOYSA-N 476.512 2.400 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H](C)OC[C@H]3CCCO3)cc2F)C[C@@H](C)O1 921094645 FWFKQOKPASHSCH-MJQMVNBJSA-N 452.523 2.183 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)nc4ccccc34)C2)C1 1777804814 ROIIRFQBBFFPTP-QHCPKHFHSA-N 468.897 2.452 10 20 JECD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)C(=O)OC(C)(C)C 1782002112 RKDWTAPVOPORSP-QFIPXVFZSA-N 483.949 2.062 10 20 JECD CC(C)(Cc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1783981342 PILLYAYWZKWLBP-FHWLQOOXSA-N 489.663 2.095 10 20 JECD CC(C)(C)c1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cn1 1785505143 CLAUBBSWGAGZBH-PIITYICYSA-N 482.537 2.048 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccn(-c3ccccc3)n1)CCO2 1785506986 HXERIKINUONYLY-QGVYAHRCSA-N 490.516 2.146 10 20 JECD COc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cc1 1786421680 HOKFDONYFGJMBL-JVGFMQGUSA-N 496.560 2.438 10 20 JECD CN(CC(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1)C(=O)C(=O)O 1790777228 NGKRPDDTXYEMPD-UHFFFAOYSA-N 475.885 2.042 10 20 JECD COC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C[C@@H]21 1791476753 ODFGCCPDUAQUID-BVSLBCMMSA-N 468.554 2.043 10 20 JECD CCC[C@@H](NC(C)=O)C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1792279883 BAEFJIOYICRBFB-QGZVFWFLSA-N 476.624 2.286 10 20 JECD COCCn1ccc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)n1 1792315268 WORMALKNRRXAIG-UHFFFAOYSA-N 487.607 2.138 10 20 JECD Cc1cccc(C)c1N1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)CC1=O 1794130964 KGCZXFLHXCTKTE-HAGHYFMRSA-N 478.549 2.415 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1scnc1C(F)(F)F 1795361262 YSNRKQOBTBZLHT-ILWJIGKKSA-N 478.543 2.274 10 20 JECD COc1ccc(OC)c(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c1 1795801570 LXTQFJIGJSZUTO-BJWYYQGGSA-N 491.635 2.135 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)nc3ccccc13)C2)c1cc(O)nc(O)c1 1796137353 FHXQCCHGOVPRNG-GFENJXEQSA-N 468.897 2.211 10 20 JECD O=C(CC12CCCN1CCC2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796933146 TXNFTOFXNZVPCS-NUZGMZIFSA-N 463.582 2.436 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(-n2cncn2)c1 1800728182 OQCZCDQYKVKPLB-BMEPKZAYSA-N 475.505 2.349 10 20 JECD O=C(Cc1cnccn1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1803299742 DKSKXLFBEICYEL-BTYIYWSLSA-N 467.913 2.499 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)nn1C(F)F 1811514526 GWWVQRHFZQWEPR-AUUYWEPGSA-N 472.452 2.421 10 20 JECD Cc1nc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cs1 1814185903 ICTFBPFISVZDJM-KDOFPFPSSA-N 475.621 2.026 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCc3ccccc3[C@H]1O)CC2)c1cc(O)nc(O)c1 1816719962 BYWOTXPLRRYTCJ-IVZHQMGZSA-N 480.546 2.471 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3n[nH]cc3c1)CC2)c1cc(O)nc(O)c1 1816726362 XFCFNSQFWSXHIC-ZDUSSCGKSA-N 450.480 2.365 10 20 JECD O=C(O)CSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818147619 AGNCYVPFTZBJCR-KRWDZBQOSA-N 484.538 2.013 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cc(F)ccn2)[nH]n1 1823496646 MXEMYKFTGHTXNX-INIZCTEOSA-N 490.586 2.429 10 20 JECD CC[C@@H](NC(N)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830737178 KSEMLDFPQDQTCK-SJORKVTESA-N 466.966 2.431 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)CC1 1836993242 GLAVRXPEPCETFV-QAQDUYKDSA-N 489.569 2.084 10 20 JECD Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348362 PSNWQXDMAARHFX-SANMLTNESA-N 493.564 2.357 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccc4n3)C2)C1 1839434042 KAOYDSZYVVNHBI-DEOSSOPVSA-N 498.923 2.078 10 20 JECD CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)C1CC1 1841410440 BKUMJHOTXLSIQY-INIZCTEOSA-N 460.531 2.003 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CCCN(C(N)=O)C3)c2C)c1 10598729 FKJMYYGJOZKHMH-MRXNPFEDSA-N 499.520 2.184 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1 22411985 BVAQUKNRXCSJRZ-UHFFFAOYSA-N 451.448 2.151 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 105280429 KNHNPVLTNCQZDD-UHFFFAOYSA-N 456.568 2.076 10 20 JECD COc1ccc(N2CCC(NC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)CC2)cc1 726717102 YSEVVLWQRPAIKV-UHFFFAOYSA-N 457.619 2.394 10 20 JECD Cn1c(=O)oc2cc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)ccc21 728401661 AEKYAKWLLRBNDG-UHFFFAOYSA-N 478.427 2.242 10 20 JECD CCCS(=O)(=O)Nc1cccc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 742920599 KUGHIXCRALEICY-UHFFFAOYSA-N 460.600 2.399 10 20 JECD CN(C)c1ccc(CNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F 746685132 NTIGSZAKJRCKBA-UHFFFAOYSA-N 452.577 2.399 10 20 JECD CN(C)c1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)cc1F 746805335 TUDVCNWNVQPRMN-MRXNPFEDSA-N 461.515 2.145 10 20 JECD Cn1c(N)c(C(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)c(=O)n(C)c1=O 821683290 CHIMBPUKJZCMRV-UHFFFAOYSA-N 451.508 2.146 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)c2C)cc1F 914655012 OQCSCLARMTWWGZ-HKUYNNGSSA-N 490.553 2.303 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(N4C(=O)CN(C)C4=O)c3)CC2)cc1 916688610 BLPBPMWEFQYKEL-UHFFFAOYSA-N 480.569 2.427 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)cc2)C1 917834211 ZFBJQMUZZIBESZ-FPOVZHCZSA-N 490.560 2.093 10 20 JECD Cc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1S(=O)(=O)N(C)C 918027353 KFOMUJAZPTVXMN-SFHVURJKSA-N 473.599 2.269 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)C1 920317431 ZSORJCZCXLXBGK-AWEZNQCLSA-N 452.920 2.428 10 20 JECD COCCN1C(=O)/C(=C/Nc2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)C(=O)NC1=S 920974846 VFSYGWRBXDVDQT-SFQUDFHCSA-N 494.982 2.326 10 20 JECD Cc1nc(F)ccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1779905569 NRLXRRBMQHBPNI-INAADSDXSA-N 485.512 2.487 10 20 JECD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1)n1cccc1 1783222617 FFWAMPILFLESQZ-ICOBBUDBSA-N 469.538 2.393 10 20 JECD Cc1cc(F)c(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c1 1783245876 JMOIDPUJJKLTMD-OPAMFIHVSA-N 497.589 2.261 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4ccccc43)C2)C1 1784106652 KEWBNCKSVDOMPP-CUNXSJBXSA-N 472.545 2.339 10 20 JECD O=C(CCCC(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1784918703 HQGMCEDPMUOHIV-IEZWGBDMSA-N 480.487 2.492 10 20 JECD CC(C)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)on1 1785506964 GZUNOHXXMJCMHF-FIYNHDKVSA-N 457.483 2.072 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4cccn4)cc3Cl)C[C@@H]21)c1cc(O)nc(O)c1 1787295330 HGVYHKRWGBPFNT-DCPHZVHLSA-N 497.939 2.239 10 20 JECD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)sc1C 1787540268 RRARFNHHSUFXON-QRFRQXIXSA-N 481.578 2.146 10 20 JECD Cn1ncc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)ccc21 1797085286 ZIFRZGFVNJJWTN-CWPLJXCYSA-N 470.913 2.155 10 20 JECD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cc1 1799771009 YXICZGRAMUDRRV-VPTLXERWSA-N 460.914 2.206 10 20 JECD CCSc1cccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802080216 GWJKXUHWBMZGNW-JVUDYFJLSA-N 485.562 2.227 10 20 JECD O=C(CC1Cc2ccccc2C1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1802178980 HREJUKRBINLFFD-TUGWXJGJSA-N 478.545 2.211 10 20 JECD O=C(Cc1cnc2ccccn12)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1803101881 PAWDEYCWGIKEGS-OSPHWJPCSA-N 472.505 2.098 10 20 JECD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)nn1C 1803288840 FWFYQQXSQVTGPN-RXFWQSSRSA-N 499.575 2.165 10 20 JECD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)n1 1804286753 ZVYUQAURDNLXJC-BSZGTYRPSA-N 484.465 2.080 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cncn2-c2ccncc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991167 NIQGYTYSOYDLAK-HXOBKFHXSA-N 485.504 2.102 10 20 JECD O=Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)s1 1807993368 JCDSJOCHGRGKCM-VLIAUNLRSA-N 452.492 2.395 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2n[nH]cc2c1 1808010839 CAPKTPZRLBOSTE-AOMKIAJQSA-N 458.478 2.398 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc(O)cc1 1808425925 DPZCKIUFEBNOOY-REDKUUPNSA-N 498.630 2.457 10 20 JECD CN1CCC(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)CC1 1808465197 RIYCQXVERJIBLH-SQJMNOBHSA-N 488.592 2.222 10 20 JECD Cn1ncc2c(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)cccc21 1809437044 WASIQXNCKLDEEM-WAIKUNEKSA-N 472.505 2.408 10 20 JECD CC[C@@H](C)[C@@H](N)C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1809708266 QYQYVNVABUGRES-XMSQKQJNSA-N 453.587 2.384 10 20 JECD C[C@H](Cc1ccncc1)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1812339886 NTHVWGLVEARLCU-GTCCEBARSA-N 497.646 2.222 10 20 JECD COc1nccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c1F 1817669840 SHAGIHYIJUMOON-CYBMUJFWSA-N 492.558 2.119 10 20 JECD CN1C(=O)CC[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1820956782 LVBZFXNIZFQKIN-GJZGRUSLSA-N 461.906 2.401 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3n[nH]cc3c2)[nH]n1 1823499032 ZKVGEZJMCPSBOK-MRXNPFEDSA-N 483.579 2.452 10 20 JECD O=C(Cn1cccn1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715264 JXHQXCGVYIPALH-JOCHJYFZSA-N 462.554 2.296 10 20 JECD O=C(CN1CCOC1=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739017 ZUHWGIXLIMYHJI-KRWDZBQOSA-N 465.934 2.437 10 20 JECD Cc1cccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)n1 1832896934 UPSKHOQUKCVHEU-IBGZPJMESA-N 474.652 2.413 10 20 JECD O=C(CCc1ccc[nH]1)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1834831084 JLXWCNQPZQWUSN-UHFFFAOYSA-N 490.608 2.312 10 20 JECD Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1F 1834988869 NPSPTEJQSABTJO-UHFFFAOYSA-N 456.518 2.439 10 20 JECD CO[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)c1ccccc1 1835283645 DNUUSTOTFYCXSS-XUZZJYLKSA-N 490.940 2.209 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cc[nH]c4cc3Cl)C2)C1 1836418254 JRMQTQALEVKYIG-QHCPKHFHSA-N 486.912 2.011 10 20 JECD CNCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1839348359 PQMBLCVYTZLKED-AREMUKBSSA-N 468.598 2.164 10 20 JECD COc1ccc(-c2ncccc2C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)cc1 1843201604 CYFADGHRIPHTJE-UHFFFAOYSA-N 496.614 2.435 10 20 JECD O=C(c1ccc(-n2cccn2)nc1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501622 IYOQUSGBDOVWKS-UHFFFAOYSA-N 453.886 2.463 10 20 JECD Cc1nnc2ccc(C(=O)OCC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cn12 726814410 VXJRWLVSOVRUIL-GJZGRUSLSA-N 455.490 2.264 10 20 JECD Cn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccc(NS(C)(=O)=O)cc4)cs3)ccc21 727244846 JDTYPFDHKHQTOI-UHFFFAOYSA-N 480.549 2.427 10 20 JECD CCOc1ccccc1[C@H](CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC(C)=O 728268508 NICBYUCYICOLCM-QFIPXVFZSA-N 473.595 2.204 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCc3nc(Cc4ccccc4)no3)CC2)cc1 750322782 LQRDSRLGBRRDAK-UHFFFAOYSA-N 450.543 2.290 10 20 JECD COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cccs4)n3CCC(N)=O)CC2)cc1 817852537 ZUQKTCNPWHTAIS-UHFFFAOYSA-N 486.623 2.332 10 20 JECD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456591 LVNYUVKPQIZNQD-UHFFFAOYSA-N 492.410 2.363 10 20 JECD COc1ccc(N2CCCN(CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 917089940 PWBXMPQVSYIFNF-UHFFFAOYSA-N 475.611 2.307 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 919699671 VTPSDKKCUUMGMB-YJBOKZPZSA-N 480.466 2.016 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1 919814005 ZVSPJEXNGRCQQU-SFHVURJKSA-N 453.948 2.220 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3ccccc3CN3CCOCC3)CC2)cc1 920252730 NYAFFGCWBBCBHU-ZHACJKMWSA-N 478.593 2.049 10 20 JECD Cc1ccc(C)n1-c1c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1C 920409719 FVHYLSZMACGMGO-UHFFFAOYSA-N 469.517 2.277 10 20 JECD COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)NC1CC1 920888281 MRIRZJQLWQOHGZ-INIZCTEOSA-N 459.568 2.464 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccncc1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126103 GVYKYRJNXDPGTN-PXDATVDWSA-N 461.522 2.002 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)cc1)C2)C1=NN(c2ccccc2)C(=O)C1 1778128080 ZHSJOKDODIKAJT-ATIYNZHBSA-N 476.533 2.313 10 20 JECD Cc1cc(F)c(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)c1 1781159818 ALCLSDGOMRCOBM-OPAMFIHVSA-N 497.589 2.261 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)cc1 1781753517 BTCYTDJCCKQFOK-RUZDIDTESA-N 464.522 2.332 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)c(F)c1)C2 1783221984 WMGAIDKWPAMFRY-WMXZDKKKSA-N 486.496 2.489 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc(Cl)cnc1O 1792390720 YCJAXEUDSKOLRV-CULMDFNYSA-N 468.293 2.022 10 20 JECD CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)C1CC1 1796601230 HXVCVSPNQUFIKN-RCJHGTSTSA-N 460.531 2.048 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796935493 PBBCOFRLJVWAII-IZBJGVDFSA-N 461.522 2.280 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(F)cc1C(F)(F)F 1801854561 MRLKOORYFMMUSK-KSPBDQMDSA-N 469.391 2.168 10 20 JECD COc1cc(C)c(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802079689 REPDMHDJEPADST-PGTXOHQNSA-N 482.533 2.345 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)n1cccc1C=O 1807992862 DONPVRGRNBVOLP-ZDPZECHZSA-N 463.494 2.083 10 20 JECD CC(C)n1cnc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1808722231 SEHXJBPVCWIMNA-RQCLJNFQSA-N 492.536 2.404 10 20 JECD CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162524 TWDXEQCLAUESJA-NRHKCWLZSA-N 496.564 2.080 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cocn2)[C@H]1c1cccnc1 1814162865 SLHHJDJRCPSILQ-XGBCVQCSSA-N 450.451 2.219 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2COc3ccccc3O2)[nH]n1)c1cc(O)nc(O)c1 1817843268 KEOJOWSPDORUFF-YJBOKZPZSA-N 465.466 2.362 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-n3ccnc3)ccn2)[nH]n1)c1cc(O)nc(O)c1 1817847798 ZBGFXDCXPFLGOC-SFHVURJKSA-N 474.481 2.416 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)CSc2ncccn2)CC1 1827173891 XRCCOBVIPRALAE-QGZVFWFLSA-N 457.556 2.308 10 20 JECD O=C(c1cnnc(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896256 AVSNZRVVGZIORD-OAHLLOKOSA-N 482.031 2.224 10 20 JECD O=C(c1cnc2[nH]ncc2c1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901416 DFTBOFHRKSKFLY-QGZVFWFLSA-N 486.623 2.052 10 20 JECD CN(C)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1838926000 VPKYYHAAGGWOTB-DEOSSOPVSA-N 489.956 2.201 10 20 JECD CC(C)(C)OC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1843420115 FNPAWOQBMQKVFH-MRXNPFEDSA-N 492.573 2.018 10 20 JECD O=C(c1ccc2cnccc2n1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441528 FZSGATYVPMOMBV-UHFFFAOYSA-N 454.490 2.240 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442298 JDOZCOGTPIBSFF-UHFFFAOYSA-N 473.533 2.238 10 20 JECD CC(=O)N[C@@H](C(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C)C1CCCC1 12838639 KDSXUWYZPMEESJ-JOCHJYFZSA-N 475.567 2.162 10 20 JECD CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCN(c4ccc5c(c4)OCCO5)C3=O)cc2F)CC1 730549454 LRSVRMMVZRWBNZ-FQEVSTJZSA-N 482.556 2.408 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NC[C@H](C)N3CCN(c4ccccc4)CC3)CC2)cc1 742939952 NHIXAWMWJGEQNK-QHCPKHFHSA-N 480.657 2.327 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 749028963 ZEMZXUSCENUVTK-UHFFFAOYSA-N 451.571 2.442 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)Cn3c(-c4ccc([N+](=O)[O-])cc4)noc3=O)cc2F)C[C@@H](C)O1 750959524 LBKJTMBANURXDA-HUUCEWRRSA-N 485.472 2.481 10 20 JECD COc1ccc([C@H](CNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)N2CCOCC2)cc1 916234278 IYOCKHSDLXWTCF-SANMLTNESA-N 497.640 2.199 10 20 JECD O=C(CN1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 917059291 PKMGDEYAPSWTCV-UHFFFAOYSA-N 488.991 2.319 10 20 JECD CCOc1ccccc1N1C[C@@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1=O 917832298 SEDLWGGGAOCMIQ-PMACEKPBSA-N 464.566 2.456 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)cc2)C1 917930024 MWPSBSGKHWRHGY-GOSISDBHSA-N 456.568 2.142 10 20 JECD CN(C)CCOc1cccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 918118144 WNWSICCWGFZXOH-OAQYLSRUSA-N 453.587 2.328 10 20 JECD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)c2C)c1 918814747 LRQCFEOKKAWXAV-LJQANCHMSA-N 485.562 2.294 10 20 JECD O=C(CCNS(=O)(=O)c1ccccc1Cl)NCc1ccc(N2CCC(O)CC2)c(F)c1 919970907 IRFBCLQNMFFQDM-UHFFFAOYSA-N 469.966 2.425 10 20 JECD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 920482727 WJTIZHVLZJKMCO-UHFFFAOYSA-N 473.598 2.080 10 20 JECD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1781114379 SGWUNVKPWXVKLN-UZUQRXQVSA-N 488.472 2.290 10 20 JECD COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(O)c1OC 1800573556 GSKJLMXQIIVPAO-LSEKCYLXSA-N 484.505 2.491 10 20 JECD O=C(/C=C/C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)NCc1ccco1 1800718009 HBLNFFSRLSHEAH-MSFXKQMLSA-N 473.913 2.469 10 20 JECD O=C(Cc1ccc(F)c(F)c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804332334 WOPPOUCYYHGULA-BTTYYORXSA-N 453.536 2.006 10 20 JECD Cc1ccncc1CCC(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1807081261 JCKIBGMJNOAMLG-UHFFFAOYSA-N 474.652 2.414 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807993129 DLAZNPVKZPEEBK-HGHGUNKESA-N 497.552 2.217 10 20 JECD CCCNC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362983 DXDOMJLJKXNKCW-HNNXBMFYSA-N 496.593 2.154 10 20 JECD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)n1ccnc1 1817363491 HBKPLBAHUAAIQM-CABCVRRESA-N 477.550 2.306 10 20 JECD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)n1ccnc1 1817363493 HBKPLBAHUAAIQM-GJZGRUSLSA-N 477.550 2.306 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccc2[nH]ncc12 1817870924 DTXSCHVOEVFVMS-MRXNPFEDSA-N 483.579 2.452 10 20 JECD COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)cc1NC(C)=O 1821426836 LTZOPNJUQMCVSV-AWEZNQCLSA-N 497.533 2.456 10 20 JECD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1822444851 LLRWRRNYWSBBKI-IAQYHMDHSA-N 499.524 2.133 10 20 JECD O=C(CCN1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716009 ZOVZLDCALOCVGQ-DEOSSOPVSA-N 495.624 2.121 10 20 JECD CCOC(=O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1828210194 BQXHGBJGDAKDAD-CQSZACIVSA-N 497.577 2.437 10 20 JECD CC(C)O[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1829028261 QEYRPPOLQBEXJA-DOTOQJQBSA-N 455.646 2.280 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1829096736 DFSZPAQKUOVNEC-OJYYBLKUSA-N 471.554 2.127 10 20 JECD CCc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)nn1C 1829480697 DZMVLJJPUAEYEA-SFHVURJKSA-N 477.656 2.076 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccn4nccc4c3)CC2)CC1 1838029957 VWGXBEHSZCTDOE-UHFFFAOYSA-N 465.510 2.067 10 20 JECD Cn1nc(Br)c2ccc(C(=O)N3CCCC34CN(C(=O)c3cc(O)nc(O)c3)C4)cc21 1843297181 PXHJNUFKPYMSQL-UHFFFAOYSA-N 486.326 2.273 10 20 JECD Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 303003214 VDOVMVCSBKJCNU-UHFFFAOYSA-N 463.464 2.038 10 20 JECD C[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)c1ccc(N2CCOCC2)cc1 728295300 CWZHHXAYCOPJKM-AWEZNQCLSA-N 457.549 2.073 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccnc3)cc2)C1 742355823 WYUAASZUYJTUHE-ILBGXUMGSA-N 485.588 2.441 10 20 JECD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4ccc5[nH]c(=O)c(=O)[nH]c5c4)n3)ccc2N1 874310811 MQMLFJNHUYCDDL-UHFFFAOYSA-N 469.504 2.025 10 20 JECD O=C(COC(=O)c1cccnc1N1CCOCC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 913276971 ARSUISHRGSEXFW-UHFFFAOYSA-N 471.469 2.489 10 20 JECD NC(=O)c1ccc(N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)CC2)nc1 916519450 KFDZCDYZNKUFIY-UHFFFAOYSA-N 492.502 2.068 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 917707567 OAKFGASTLJQQHP-UHFFFAOYSA-N 497.976 2.267 10 20 JECD O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 917917915 JZYHJJVHGFOKPT-UHFFFAOYSA-N 475.464 2.433 10 20 JECD O=C(NCCN1CCN(c2ccc(F)cc2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 918211978 HBPGYRWVBOPEFL-UHFFFAOYSA-N 459.541 2.423 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccc(F)c(S(=O)(=O)NC(C)(C)C)c3)nc12 919080032 ZHVHWXLSBZFQAE-UHFFFAOYSA-N 494.501 2.185 10 20 JECD COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c1 921063168 CEFHVXCQKPCTMD-TWGQIWQCSA-N 476.551 2.205 10 20 JECD CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1779352780 YHYWXYNVDOPULR-IOZGHAEBSA-N 491.585 2.067 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1782102838 OTWRPGXJZJPXAU-QFIPXVFZSA-N 491.884 2.431 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1782541340 RCTLICYWJGRECO-DMDPLBLGSA-N 497.548 2.193 10 20 JECD CCOc1ncccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783218400 NQDRQKMJILEVGL-WNEWMZQESA-N 497.548 2.438 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc3ncccc3c1)CCO2 1785503662 NLAISGFQWHBFQS-KKGOCVRDSA-N 489.528 2.437 10 20 JECD Nc1ccccc1/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787539012 DPQBJFIZLIDGLV-RTMRXWGUSA-N 487.560 2.055 10 20 JECD CCc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)s1 1787539438 DXGYAMCTUQITQE-QSFXBCCZSA-N 481.578 2.092 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccc3F)C[C@@H]21 1792218740 PHPLYCPTRCYVCH-OXEMSUKJSA-N 470.497 2.178 10 20 JECD Cc1nnc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)s1 1794382252 ULPCXZQQGXZXKC-NCSLWMNCSA-N 458.540 2.248 10 20 JECD Cc1ccc2oc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)cc2n1 1795943913 OQJSEQBHXSGGJQ-QEVMATIMSA-N 479.489 2.170 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(C(F)(F)F)cc1 1798955335 BXAIQUBEYRTBEP-ZSBFGKGUSA-N 451.401 2.029 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(Br)ccc1O)c1cc(O)nc(O)c1 1800051292 NQIBRSDNKPKZBG-MUJYYYPQSA-N 476.327 2.455 10 20 JECD O=C(COc1cccnc1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1804338166 UAAKDBIQDCTMCE-FNZWTVRRSA-N 498.543 2.354 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCO2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468934 GWASKFZCHJKLEJ-AVCGJXAMSA-N 461.522 2.059 10 20 JECD Cc1cn2c(=O)c(C(=O)N3CCC4(CCCN(C(=O)c5cc(O)nc(O)c5)C4)CC3)cnc2s1 1810551998 OVMWCVUETYOWDJ-UHFFFAOYSA-N 483.550 2.029 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1812056802 WICKPQWNVSTJAU-UUOWRZLLSA-N 499.531 2.410 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc2cccnn2c1 1812188315 BGNLMRAFJAGSDO-OPAMFIHVSA-N 458.478 2.169 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816727216 HAWPBYBXGLUYKH-LBPRGKRZSA-N 477.543 2.088 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2COc3ccccc3O2)[nH]n1)c1cc(O)nc(O)c1 1817843265 KEOJOWSPDORUFF-CRAIPNDOSA-N 465.466 2.362 10 20 JECD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)n1cncn1 1822765408 DKEFSANQIFFJFV-HNAYVOBHSA-N 475.513 2.047 10 20 JECD Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)c(O)c1 1827568039 JSYHDNBXVHQZLJ-NSHDSACASA-N 476.605 2.243 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3c[nH]c4nccc-4c3Cl)CC2)CC1)c1cc(O)nc(O)c1 1834986957 NEURJNHHMFUSRE-UHFFFAOYSA-N 498.971 2.473 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1838268790 APXQQSFXBKXRIM-OTVXOJSOSA-N 452.935 2.134 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)c2cnco2)C1 1841729624 JDZXXUODANCWEE-INIZCTEOSA-N 486.525 2.039 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)C1 1841878525 TYVBQQBGOPFFKF-XVNBXDOJSA-N 471.441 2.310 10 20 JECD O=C(c1cc(-c2cc(F)cc(F)c2)[nH]n1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249320 XGLZNTUCNMKTEW-UHFFFAOYSA-N 455.421 2.292 10 20 JECD O=C(c1cc(Br)cc2[nH]ncc12)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250048 FXKXIHWDAADZHV-UHFFFAOYSA-N 472.299 2.262 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1843950190 OOYMFZALRHCJPH-KRWDZBQOSA-N 474.558 2.490 10 20 JECD COc1ccc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(F)c1 1845333762 JNYJVISGGMCRED-UHFFFAOYSA-N 450.470 2.444 10 20 JECD Cc1cc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)c(C(F)(F)F)o1 1847055953 QYEHIAADQUVTBE-UHFFFAOYSA-N 461.487 2.284 10 20 JECD O=C(CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)Nc1ccc(-n2cncn2)cc1 727712646 HSCVOVYLYXJVOA-UHFFFAOYSA-N 496.439 2.319 10 20 JECD COCCCN(C(=O)/C=C/c1cncc(F)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 729330210 MVASDQOFWDQLBZ-CMDGGOBGSA-N 453.474 2.196 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3ccc(Br)c(S(C)(=O)=O)c3)CC2)cc1 749174740 VTLCJYJXCUEKJQ-UHFFFAOYSA-N 496.427 2.413 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)CC2)cc1 907744985 GKMJGRISGMQTSO-JOCHJYFZSA-N 467.522 2.318 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)cc2)C1 917835845 FOFHQGLDCUXKRM-ICSRJNTNSA-N 490.651 2.309 10 20 JECD CSc1nnnn1-c1cccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c1 918439815 OHBSPQBAUPBLKD-UHFFFAOYSA-N 469.596 2.192 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)N3CCC(C(=O)N4CCOCC4)CC3)cc2F)C[C@H](C)O1 918780778 QQTSNBAILOCHGD-ROUUACIJSA-N 462.566 2.220 10 20 JECD O=C(COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)NCc1ccc(N2CCOCC2)c(F)c1 919068944 MBGRYCLQPPFUBW-NRFANRHFSA-N 495.551 2.364 10 20 JECD COc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)cc1OC 919791877 FGGUSJKHQZTCAJ-UHFFFAOYSA-N 468.554 2.208 10 20 JECD C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CC2)C1 920869983 WQOVOHUVFNXEPW-YPAWHYETSA-N 471.646 2.416 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1778253438 XWCBXCCABKXSGI-CVDCTZTESA-N 458.898 2.198 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc2cccnn2n1 1779995157 OCSPQQRRKQNGOW-AUSIDOKSSA-N 485.928 2.235 10 20 JECD CN(C)c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)cc1 1780429032 VORRWUSBQOSYKR-NTKDMRAZSA-N 454.527 2.000 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)cc3F)C2)C1 1783380877 KURLOXCVGDGTMO-ZNSATWQLSA-N 474.460 2.167 10 20 JECD CCN(CC)[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1)c1ccccc1 1787294381 NLOMWYNLKXJZJJ-FVLCUVFVSA-N 482.581 2.169 10 20 JECD CC(C)c1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)cc1 1787295264 ZVXJGANTONUQMW-JBACZVJFSA-N 453.539 2.452 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1n[nH]c2cc(Cl)ccc12 1797511113 LEWSQGWCFNEJNN-NHEOTCHKSA-N 498.923 2.250 10 20 JECD CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CCCCC1 1800930671 KJQKKJMMIWVKBL-OPMZPASUSA-N 452.555 2.339 10 20 JECD CN1CCCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1803176771 HYONWDGNURXTJT-LNRZCICUSA-N 480.565 2.402 10 20 JECD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)on1 1804259999 CEOWHPOZSMUWGI-OYOQQZMJSA-N 478.505 2.457 10 20 JECD CC(C)c1nc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)no1 1804283622 ILQFCRZAEVCUOR-SEDYWJOHSA-N 456.499 2.204 10 20 JECD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)n1cccc1C=O 1804285231 IYJQDZBOVPOQAA-IMWIHDJQSA-N 453.495 2.330 10 20 JECD O=C(CN1CCCCC1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1806884762 PNYPNKMVKDULGF-QFQXNSOFSA-N 488.592 2.366 10 20 JECD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)[nH]1 1808464294 KIXMWSXIODBKGD-FDDCHVKYSA-N 471.521 2.226 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)c2ccco2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808465742 YBKDBNPZRCQORV-GLYQVZKVSA-N 487.516 2.207 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3cc[nH]c4nccc3-4)C2)CC1 1810635504 VOUBSJBUKPPTGS-UHFFFAOYSA-N 471.608 2.220 10 20 JECD Cn1cnc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)c1 1816576151 HQYVZQCKHIWOSO-BVBGJJFLSA-N 452.471 2.279 10 20 JECD COc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)ccc1[N+](=O)[O-] 1816727325 NWXKUTXMBHBWFN-CYBMUJFWSA-N 499.505 2.335 10 20 JECD C[C@H](Cn1ccnc1)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817366997 MNWQIFWCJWKMIU-HZPDHXFCSA-N 491.577 2.381 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cnncc3C(=O)O)sc2C1)c1cc(O)c(O)c(Cl)c1 1820502113 CKBVPPPCDUOJAZ-SECBINFHSA-N 489.897 2.236 10 20 JECD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)n1cccc1 1822679329 MEEJBCLZRWWSLI-UKRRQHHQSA-N 460.585 2.325 10 20 JECD Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cn1C 1823498172 NJPBIHXBZAZKBH-OAHLLOKOSA-N 460.585 2.223 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCSCC2)CC1 1823725754 PUWHSDFDPOMKHV-CYXJOQHWSA-N 489.638 2.485 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCCO1)CC2 1828192331 JPSMMTLZIWEFJE-YQWLQKAHSA-N 459.524 2.454 10 20 JECD O=C(Cc1ncccn1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876157 CZYVTGBLAZIZKH-FNQPIQQGSA-N 466.538 2.469 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccccc34)C2)C1 1836418519 YURLVDTVCHDURG-RUZDIDTESA-N 463.490 2.030 10 20 JECD O=C(c1ccsc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431901 VCBUFJCMXVCTNZ-FQEVSTJZSA-N 452.916 2.197 10 20 JECD CC(C)(C)c1cnc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cn1 1843609880 SZYUANPCZCXEOF-UHFFFAOYSA-N 460.538 2.384 10 20 JECD COC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1844386664 SJUALZJYTVRQNH-QFIPXVFZSA-N 452.555 2.062 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 1845335952 ASVNRNCDWFKCQG-UHFFFAOYSA-N 477.271 2.294 10 20 JECD CCN(CC)c1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1F 731364936 UMLMQCHWPNKDED-UHFFFAOYSA-N 492.621 2.018 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(OC(F)F)c(F)c3)CC2)cc1 743432825 TYYSUGIOCYELRC-UHFFFAOYSA-N 466.460 2.313 10 20 JECD CN(C)c1ccc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)cc1F 746864737 WJPYFQRHGPNTHZ-GOSISDBHSA-N 469.966 2.395 10 20 JECD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 746976136 ZTATYPRGXJCUCE-UHFFFAOYSA-N 479.534 2.324 10 20 JECD C[C@@H](NCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1cccnc1 781174583 GCROVNAUNHJWRV-LEBHLANCSA-N 470.576 2.479 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(Cc4ccccn4)CC3)cc2F)C[C@@H](C)O1 917023103 WYTKUFALIMQGRM-WOJBJXKFSA-N 455.578 2.268 10 20 JECD CCNC(=O)COc1cccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 918032407 JVLYROZMVJDYQG-SFHVURJKSA-N 453.543 2.225 10 20 JECD Cc1ccc([C@H](CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)N2CCOCC2)o1 918118875 VRCLLVLINUWTPK-UNMCSNQZSA-N 469.586 2.162 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(c4ncnc5sccc45)CC3)cc2)C1 918119017 XPHDSRQWFWMVOL-SFHVURJKSA-N 479.610 2.425 10 20 JECD CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918338095 SAELWOABMQTHSA-JOCHJYFZSA-N 485.606 2.241 10 20 JECD CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918338994 AIGQALYXNDQCSK-QHCPKHFHSA-N 455.580 2.074 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C3=NN(c4ccccc4)C(=O)[C@@H](C)N3)cc2F)C[C@@H](C)O1 918633028 ITPPTGQMCPUVMS-IXDOHACOSA-N 453.518 2.394 10 20 JECD O=C(COC(=O)c1cncc(Br)c1)NCc1ccc(N2CCOCC2)c(F)c1 918854942 LTIGDXHAOPDZLM-UHFFFAOYSA-N 452.280 2.293 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cc(N4CCCC4=O)ccc3F)CC2)cc1 919659170 QDVVDOZPUSGZFG-UHFFFAOYSA-N 497.571 2.228 10 20 JECD O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c1 919730399 YGOIMBWVRMMTKS-UHFFFAOYSA-N 457.474 2.294 10 20 JECD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCc1ccc(N2CCOCC2)cc1 919772247 BYLBKHYULGMYNB-UHFFFAOYSA-N 461.588 2.161 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)C2)C1 1780316015 CGMCVKZPRYQSTM-QHCPKHFHSA-N 483.912 2.294 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCOC1)C2)c1cc(O)c(O)c(Cl)c1 1781123463 QLBOUYHZNNGEGK-GKIWIXTESA-N 452.935 2.305 10 20 JECD COc1ccc(C)c(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1 1781777835 VWVFXZNGUWBFLI-SANMLTNESA-N 476.533 2.240 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1782017647 VPOIPJJAPAJHCA-QHCPKHFHSA-N 483.912 2.089 10 20 JECD Cc1ccc(/C=C/C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)s1 1783247026 MBLBQSJFMQGSTM-NZRBFCARSA-N 493.676 2.444 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCn4cncn4)C3)C2)cc1 1784343073 VUYFPTNBPQAMSR-VWLOTQADSA-N 462.554 2.219 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1scnc1C1CC1)CCO2 1785509158 TZIJMNOWVRHHQI-FIYNHDKVSA-N 471.535 2.294 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3cc(Cl)ccn13)CCO2 1785509168 OSBVHEMXRLMZMI-JWZSXRADSA-N 498.923 2.261 10 20 JECD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1)n1ccnc1 1786235399 BJCQCDHULCHYOB-AWEZNQCLSA-N 457.581 2.439 10 20 JECD O=C(CNC(=O)c1cccnc1)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788424176 CTXOCTSMKDAZCZ-UHFFFAOYSA-N 461.478 2.066 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C(F)(F)F)CC3)C[C@@H]21 1792219377 SQUQCHKKKPOMGB-WLNPAGQUSA-N 470.444 2.139 10 20 JECD N[C@H](C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1)c1ccccn1 1792313833 LVLMAELOOFLQCY-IBGZPJMESA-N 469.592 2.076 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(n1)OCCO2)c1cc(O)c(O)c(Cl)c1 1796720702 CRBWIFBMYJJNIQ-BTTYYORXSA-N 459.886 2.483 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)c1ccco1)C2)c1cc(O)c(O)c(Cl)c1 1799767999 KALZLLMOUBWRMM-DRXBFXEBSA-N 456.829 2.339 10 20 JECD COc1cc(OC)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c1 1799769140 OINNZQWIQAVVEK-YVWYUNDQSA-N 476.913 2.285 10 20 JECD CC(=O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1803407138 YVDKVVRIPTXELB-XXBNENTESA-N 475.549 2.496 10 20 JECD COC(=O)CSCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1803575482 GQOGKPITOYEWHO-VLIAUNLRSA-N 493.969 2.372 10 20 JECD CN(C)c1cccc(OCC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1804228410 ZGYRDNDGTXJJFK-IQGLISFBSA-N 491.548 2.352 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cnoc1C1CC1 1806143773 GIGOYNWGHFPPAA-HNAYVOBHSA-N 485.591 2.127 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1808816585 RMQMLGYIKSNORN-TVTNDZMWSA-N 498.630 2.415 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1[nH]cnc1-c1cccnc1 1811330423 YDEZJKOUFCMSPD-UZUQRXQVSA-N 485.504 2.306 10 20 JECD COC(=O)C1(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)CC1 1811809168 HNUAEONMLSGQAX-KSSFIOAISA-N 473.913 2.419 10 20 JECD C[C@H](Oc1cccnc1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1813438224 XGZDHSDDJAWVTC-YHEJKZAPSA-N 463.494 2.070 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H]1c1cccnc1 1814160956 ATFKZHJBVNFPAI-KMKSOLPBSA-N 477.521 2.274 10 20 JECD O=C(Cc1cnccn1)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1814995250 CTUSAXOKLCQJIP-FQEVSTJZSA-N 472.509 2.227 10 20 JECD COc1ccc([C@H](O)C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)cc1 1827424876 QCXGREDGTRTJCI-REWPJTCUSA-N 469.538 2.468 10 20 JECD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827430039 ZUDXYOUCCZMBCW-WOHXKIKESA-N 482.537 2.496 10 20 JECD CCOc1ccsc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834985282 GMOOYDXIUWRHNW-UHFFFAOYSA-N 474.583 2.452 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1839433233 AQDPETFMHLKHGL-NRFANRHFSA-N 492.941 2.073 10 20 JECD O=C(c1cncc2cnccc12)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442341 BQIUWIKDIHUOKA-UHFFFAOYSA-N 454.490 2.240 10 20 JECD CCCC(=O)Nc1ccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)cc1C 1844701160 CCJDFUFQLLXAFQ-UHFFFAOYSA-N 488.635 2.411 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)C2CC2)C1 1846763195 LOLSSTRVJMACDH-KRWDZBQOSA-N 459.543 2.147 10 20 JECD CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O 9945625 NBWDCNSGKFTVIQ-DEOSSOPVSA-N 469.494 2.327 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)CCC2 725995654 FKLRZXJXXUDQPQ-BJKOFHAPSA-N 479.577 2.019 10 20 JECD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CC(=O)N4)n2)c[nH]1 727247566 CWEDCVBDQBFOJZ-UHFFFAOYSA-N 461.481 2.006 10 20 JECD COC(=O)c1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)o1 730765075 AYGHFDUZGFAAOL-UHFFFAOYSA-N 494.503 2.439 10 20 JECD CCS(=O)(=O)N(C)C1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 731360086 VJVPPCRJFRWDAH-IRXDYDNUSA-N 470.611 2.395 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 743123889 UOZWSUJSENVUEX-UHFFFAOYSA-N 465.466 2.295 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NCCCN1CCOCC1 864673931 UCQDWKQMUCCMMG-VBKFSLOCSA-N 484.441 2.489 10 20 JECD CCN(CC)C(=O)N1CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 916978214 IFGQXICOXRMLCF-KDURUIRLSA-N 463.598 2.135 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 918218344 WMRAQXZQERUHII-UHFFFAOYSA-N 494.564 2.408 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)cc2)C1 918373289 VJHLHQMFHBZVJR-HXUWFJFHSA-N 470.595 2.007 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1cccc(CN2CCOC2=O)c1 918443547 WNJCUITXFNJAJB-UHFFFAOYSA-N 466.538 2.102 10 20 JECD Cc1ccc(NC(=O)C2CC2)cc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918465838 TYOKABSHPOITPM-IBGZPJMESA-N 477.565 2.300 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCNC(=O)c3ccsc3)cc2F)C[C@@H](C)O1 918899228 AMVVBGBUYREAGI-IYBDPMFKSA-N 477.558 2.480 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)CC2)cc1 920256018 NBUWSZKDHXJDTG-LCCNJJIFSA-N 482.625 2.397 10 20 JECD Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)c(F)c1F 1782950818 AGNWOUBZYZULJB-IVZQSRNASA-N 497.589 2.261 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)C2)C1 1782968130 WCMUOBSDOQRUSA-NRFANRHFSA-N 494.038 2.062 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1784287868 KJVQUAOEHYGKDR-IQMFZBJNSA-N 459.930 2.469 10 20 JECD COc1cccc2[nH]cc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)c12 1785510096 MFBPGYJAEJNJDO-AQBQYSGMSA-N 493.516 2.450 10 20 JECD O=C(CCC(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1786684560 PSHYUPNXBUHSAG-ZVZYQTTQSA-N 466.460 2.102 10 20 JECD Cc1ccc2oc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CN3C(=O)CSC3=S)C4)cc2n1 1796401283 UCHNWLNRLDOZCD-BTTYYORXSA-N 458.565 2.248 10 20 JECD Cc1cscc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1796577403 RLRUQLVRKXOOBZ-VPTLXERWSA-N 452.536 2.053 10 20 JECD COC(=O)c1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)cc1 1796935007 MMGLLKKAVXGYGO-QQFNCUIESA-N 488.544 2.447 10 20 JECD CCOc1ccccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1798833408 ZNJNXUGBMHPGMX-JKURJYBESA-N 468.506 2.119 10 20 JECD Cc1cc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1F 1801757194 MUZWKPCWHVAPMG-PWRVDJJQSA-N 474.460 2.307 10 20 JECD Cc1nn(C)cc1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1803828997 DGJSMRIUDDSLTO-LFXIQIKPSA-N 477.521 2.273 10 20 JECD Nc1ccccc1/C=C/C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1807221702 VLOLTKLJYLSPPV-PWISXXLXSA-N 495.630 2.243 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cn3ccccc3n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995136 CJPLYABFYMVSHX-OPAMFIHVSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2c[nH]c3ncccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996447 STCVRKDORATLKL-QVKFZJNVSA-N 458.478 2.398 10 20 JECD C[C@H](Cn1cccn1)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808463708 FIAZIDPHOBPCTO-FZOAFFARSA-N 499.575 2.413 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc(O)c(F)c1 1810972438 ZRDNOLKYPIYFQD-VFNWGFHPSA-N 452.442 2.366 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)CCOc2ccccc2)[C@@H]1c1cccnc1 1814185673 DURGXWQNJPRWEH-WZONZLPQSA-N 498.630 2.417 10 20 JECD C[C@@H]1Oc2ccc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)cc2NC1=O 1816727415 UFWCYSWJYNOEFK-GWCFXTLKSA-N 495.517 2.208 10 20 JECD CCCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361912 LDHMQOHECZTISJ-LSDHHAIUSA-N 496.593 2.153 10 20 JECD O=C1Cc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)c2N1 1817847367 XSJFXTFFZUJXPV-INIZCTEOSA-N 462.466 2.330 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CC(=O)N3)[nH]n1 1823499858 BPQGNQOYDVKNON-INIZCTEOSA-N 498.590 2.071 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc4ncccc4[nH]3)sc2C1)c1cc(O)nc(O)c1 1823904848 CZNXZQMEUSNWAV-NSHDSACASA-N 450.480 2.365 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3nonc3c2)CC1 1828110237 CPFSKQLPIUGPFF-SFHVURJKSA-N 487.607 2.316 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ncnn3c2)CC1 1828733956 OPVHUZGJATULHC-SFHVURJKSA-N 450.499 2.083 10 20 JECD CCc1nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)co1 1829388260 SUIVQFCCPJPQRD-MRXNPFEDSA-N 464.613 2.331 10 20 JECD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)n1cncn1 1832212851 XBDGDMPWCPOVQO-CGLHPVKESA-N 469.542 2.289 10 20 JECD O=C(c1cnnc(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896253 AVSNZRVVGZIORD-HNNXBMFYSA-N 482.031 2.224 10 20 JECD CCn1nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cc1C 1832900586 IPVVJQULFJPHJU-SFHVURJKSA-N 477.656 2.305 10 20 JECD COc1cccc(OC)c1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988889 PNQIZSGUCGRCRH-UHFFFAOYSA-N 484.553 2.009 10 20 JECD O=C(c1ccc2c(Cl)ccnc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836419153 VMBSWHGKFYSBSE-DEOSSOPVSA-N 498.923 2.078 10 20 JECD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(C)n1C 1838387466 FRZKATDWLKNGBW-HSZRJFAPSA-N 477.945 2.090 10 20 JECD O=C(c1ccc2c(c1)COC2)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434188 TWCPQDLXVVHLAI-DEOSSOPVSA-N 488.924 2.165 10 20 JECD O=C1Nc2ccccc2/C1=C/C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441911 UQSYKBBSYLUKRF-UYRXBGFRSA-N 469.501 2.018 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)C1 1846153678 GYUSJJGLWVGBMR-MYYSRTQBSA-N 467.909 2.478 10 20 JECD C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1846166818 GGOBBMFMWTWUKB-QXLXQBSBSA-N 495.532 2.335 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847033979 SKQGBWJLXLFNNQ-MFUYTVRRSA-N 463.534 2.077 10 20 JECD O=C(c1cc(-c2ccncc2)[nH]n1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038323 MNVPOURFSHLYLS-HWKANZROSA-N 461.478 2.119 10 20 JECD COc1c([N+](=O)[O-])cc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)c([N+](=O)[O-])c1Br 22097024 KNTGPBZJTNNTNI-SNVBAGLBSA-N 472.296 2.063 10 20 JECD Cc1cc(C(=O)COC(=O)c2cccn2C)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 107601390 JLIZMDGKOKDQIB-UHFFFAOYSA-N 485.562 2.493 10 20 JECD CCN(CC)c1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F 731364318 KICWHAQMGWUYJS-UHFFFAOYSA-N 467.523 2.358 10 20 JECD CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 744844712 VKHLQXWVPMGLMZ-UHFFFAOYSA-N 465.570 2.014 10 20 JECD O=C(NC[C@@H]1CCCO1)c1c(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)sc2c1CCCC2 747407106 OPSSPUCZOWDLJK-HNNXBMFYSA-N 488.595 2.312 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCC(C(=O)Nc4nncs4)CC3)CC2)cc1 918196837 HAJCFIZOAZVIIZ-UHFFFAOYSA-N 487.630 2.119 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 918304013 LUPXTTVDQLMNKT-UHFFFAOYSA-N 476.599 2.389 10 20 JECD CC(C)c1c(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cnc2ncnn12 919274340 UWWAOZJVXKZVIH-HOTGVXAUSA-N 484.532 2.474 10 20 JECD CCC(=O)N1CCC[C@H](C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 919453018 FVADOLPGJZUOGZ-SCTDSRPQSA-N 463.550 2.247 10 20 JECD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920926472 PJYWMQGQXSQLNJ-INIZCTEOSA-N 454.527 2.050 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003401 IOZWLSQUWCPDGM-NBGIEHNGSA-N 485.968 2.251 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1782005456 HPLAFVDNIDODDD-JOCHJYFZSA-N 456.886 2.156 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@]2(F)CCCC=C2F)C1 1783331140 APOZIHYWIKJTCP-NPFVIJTESA-N 451.470 2.366 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc(Cl)o1 1787784920 GBQXZSLMTOQGFR-OQEHJRJISA-N 462.886 2.357 10 20 JECD Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cc1 1792219097 ZPLCFGPTADGEDR-ZNTKURTCSA-N 466.534 2.347 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cncnc1)C2 1796750406 XCMXCVAVZIFNGN-CIAFKFPVSA-N 494.596 2.447 10 20 JECD C/C(=C\c1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1801352527 OFTGMCPAUGQSMZ-BVVJYIAVSA-N 457.914 2.453 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)[C@H]1CCc2ccccc2C1 1804335912 FSWBCMQYBJZJIG-OKYOBFRVSA-N 457.621 2.290 10 20 JECD Cc1nc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)no1 1804493781 WPYMPJBLOSCMSN-VBKZILBWSA-N 471.901 2.400 10 20 JECD COc1nc(C)ccc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807994840 KHVITWPJYZPMTR-IIBYNOLFSA-N 463.494 2.233 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)nc2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469574 PMTXESLGMQYCCW-UUOWRZLLSA-N 484.516 2.295 10 20 JECD O=C(CCN1CCOC1=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1809535673 SQUSHLCQVGTODI-FOIQADDNSA-N 488.928 2.308 10 20 JECD COc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1814185971 VYIJYOISIFPYTC-IFXJQAMLSA-N 490.632 2.332 10 20 JECD Cc1nc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)ccc1F 1816145934 FHMSHTHWDUQFMY-HNNXBMFYSA-N 476.559 2.418 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc4ccccn4n3)sc2C1)c1cc(O)nc(O)c1 1818074717 NHQXFVCPIXONSV-LBPRGKRZSA-N 450.480 2.137 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3nccc-3c2)[nH]n1 1823498829 WFXREUJDWVNVRL-OAHLLOKOSA-N 483.579 2.404 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cccn3ccnc23)[nH]n1 1823500274 ZTAUNYOJQDQTDM-HNNXBMFYSA-N 483.579 2.224 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3ccccc3-n3nccn3)sc2C1)c1cc(O)nc(O)c1 1823550093 IRYDGVBBGNCBKZ-ZDUSSCGKSA-N 477.506 2.070 10 20 JECD CCN(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1824464526 NABSVGBJEKRGQK-VABZHALQSA-N 460.556 2.226 10 20 JECD O=C(CN1CCCC1=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715316 KZXUXYLDGGZWIE-JOCHJYFZSA-N 479.581 2.021 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)CC[C@@H]2CCOC2)CC1 1832459764 RRLKINTYXODSEH-AEFFLSMTSA-N 467.657 2.283 10 20 JECD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)n1ccnc1 1836777912 WECCTGNKUMAOIU-IBGZPJMESA-N 492.580 2.236 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCOC[C@@]2(C1)CN(C(=O)C13CCC(CC1)CC3)CCO2 1840542091 BAUIEELHYOVNHU-LTVJGXQLSA-N 494.592 2.206 10 20 JECD C[C@H](C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[S@](=O)c1ccccc1 1845780587 LYQBZAJYZNKIRQ-BBZQSPJTSA-N 470.547 2.216 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)C1 1847017700 AMDAXYNEWVUVEO-QHCPKHFHSA-N 474.558 2.347 10 20 JECD CN(C)S(=O)(=O)c1cccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 916668240 UUZXUJNXJKTMMC-UHFFFAOYSA-N 450.536 2.359 10 20 JECD O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1CC(=O)N1CCCS1(=O)=O 916834555 JHPULKUAPFSYKX-XYOKQWHBSA-N 461.384 2.212 10 20 JECD O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918613076 RTDXWMSOKFCKKN-OAHLLOKOSA-N 452.520 2.079 10 20 JECD CCCN(CCC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC=C1C(=O)NC(=S)NC1=O 920979100 VGQUOFBMPXQJCQ-UHFFFAOYSA-N 481.644 2.170 10 20 JECD Cc1nc2ccncc2cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1778952114 PJRRKQQDSAEPFZ-CJFMBICVSA-N 477.521 2.186 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@@H]1CCCSC1 1783202526 ZMCSOWMEJYSMRU-IOZGHAEBSA-N 484.622 2.436 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCC1(F)F)CCO2 1785503843 SEMLGKCZIFNOBN-KYGQDUPUSA-N 466.481 2.472 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1c(F)ccnc1Cl)CCO2 1785508881 NOUWHQAPMKJJKV-YSNSILARSA-N 477.876 2.148 10 20 JECD Cc1nc[nH]c1CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790245122 SKAWJRXYVQLGND-RFUYNDQBSA-N 495.001 2.309 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)C(=O)c1ccco1 1804331794 LHTNUILPBRHNHN-QXMHPGBQSA-N 477.473 2.394 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCc2ncc[nH]2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470247 UTJODCJVXQTAMU-CLOONOSVSA-N 485.548 2.236 10 20 JECD COc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] 1813951955 NMVDONFWFADISL-ZHRRBRCNSA-N 493.476 2.438 10 20 JECD COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)cc1 1813966178 TVZBYELIOPCTKM-CYBMUJFWSA-N 490.632 2.167 10 20 JECD CCOC(=O)/C=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1816756300 WUULODRQTHDRBW-ZXTUUZKTSA-N 470.482 2.351 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145973 PEEDCXDZZYWMSN-FXAWDEMLSA-N 479.541 2.109 10 20 JECD O=C(CS[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1819869618 UFQUOADBGZBTGT-SGTLLEGYSA-N 464.569 2.435 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cncnc2)CC1 1825288568 PJVRHJLGIPGPKY-QHCPKHFHSA-N 474.565 2.432 10 20 JECD N[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)c1cccnc1 1827426371 RQGMMFNLGIUROX-UXHICEINSA-N 453.543 2.211 10 20 JECD Cc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)co1 1828195266 KDOWAAOUEHRULM-QBODLPLBSA-N 456.480 2.496 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)n1ccccc1=O 1828197580 BXFSZOGWOFWVGP-HEESEWQSSA-N 496.545 2.308 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccn(C(F)F)n2)CC1 1829319267 JRXXUENNXJVIQJ-HNNXBMFYSA-N 485.582 2.372 10 20 JECD C[C@@](O)(CC(=O)O)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1831864466 JDBCFVIXUSIZPM-LVXARBLLSA-N 498.580 2.015 10 20 JECD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)c[nH]1 1835222046 BMFJFQZPOFVLBN-UHFFFAOYSA-N 476.581 2.301 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccn(C)n4)CCO3)C2)cc1 1836062676 SVFKBFFMSGZSEO-HHHXNRCGSA-N 491.592 2.140 10 20 JECD Cc1noc(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)n1 1837950881 JWSAOSUEWVDXNG-UHFFFAOYSA-N 478.933 2.298 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccnc4ncccc34)CC2)CC1 1838030401 YDTDYWUJYOVCBI-UHFFFAOYSA-N 477.521 2.362 10 20 JECD CC1=CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CC1 1840880776 LHNKSUNZZHORPE-DHPHSAMYSA-N 472.538 2.019 10 20 JECD C[C@@H](C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1)N1CSCSC1 1843441584 HOKVGCXWXKZUNU-INIZCTEOSA-N 473.624 2.026 10 20 JECD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1N/C=C1/C(=O)NC(=S)N(CC(C)C)C1=O 9634096 GZRMOPSRPBISKV-LGMDPLHJSA-N 494.639 2.455 10 20 JECD Cc1cc(C(=O)COc2ccc(C(N)=O)cc2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 23512212 ZCXDNTSDKRYIDP-UHFFFAOYSA-N 497.573 2.476 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 727946334 FESNNCOXBGBMNU-UHFFFAOYSA-N 476.533 2.126 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C(=O)N3CCN(C)CC3)ccc2OC)cc1 743388517 QRYGDLBJMDRJBA-UHFFFAOYSA-N 481.597 2.184 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 750177908 NJSCSOONNZLLRZ-FQEVSTJZSA-N 467.522 2.288 10 20 JECD Cc1cc(CC(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(Cl)cc1 917134354 QWWSJEFHBHRWFH-SFHVURJKSA-N 451.976 2.052 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CN(C)C(=O)c3ccc(Br)o3)CC2)cc1 917391413 TWTSCSUXSMJSKD-UHFFFAOYSA-N 493.402 2.451 10 20 JECD NC(=O)COc1cccc(NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919773610 UJRMCUBCXWVTHV-UHFFFAOYSA-N 479.516 2.128 10 20 JECD O=C1NC(=O)c2ccccc2/C1=C\NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 920178361 PAMPPZDIJPAFQS-CAPFRKAQSA-N 458.497 2.343 10 20 JECD CN1CCN(Cc2cccc(NC(=O)C(=O)NCc3ccc(N4CCSCC4)cc3)c2)CC1 920193043 VBOFNJXDUVJCJK-UHFFFAOYSA-N 467.639 2.242 10 20 JECD Cc1cccc(C)c1OC[C@H](O)CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 920238733 WYBMQAGCDGUJNO-RBBKRZOGSA-N 454.571 2.244 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cccc(-c4noc(C)n4)c3)CC2)cc1 920785701 XRJSJWAUBGBOHL-UHFFFAOYSA-N 478.553 2.321 10 20 JECD CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC=C1C(=O)N(C)C(=O)N(C)C1=O 920978670 CESNQQXAIREFNC-UHFFFAOYSA-N 465.576 2.275 10 20 JECD COCCNC(=O)[C@H](C)OC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1343803859 RCOXAVHXKXETMZ-HOXUKUGESA-N 487.397 2.345 10 20 JECD Cc1cc(C)n(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)n1 1782009205 TWPJVLBEQXEMDE-JOCHJYFZSA-N 462.934 2.098 10 20 JECD Cc1nccn1CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783222629 FSJZZFRIOPHGLY-ZYHKADTASA-N 498.580 2.316 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(Cl)c1)C2 1783245755 BOAXVFSFECISKP-IIBYNOLFSA-N 482.027 2.328 10 20 JECD O=C(Cc1ccc(Cl)c(F)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1783816140 GPICMTYHCYVVQN-YEWWUXTCSA-N 463.893 2.121 10 20 JECD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1785511829 VGSYAQPECNBVKC-JNHKJOQOSA-N 452.507 2.450 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4sccc4c3O)C[C@@H]21)c1cc(O)nc(O)c1 1787294431 OZGZSUDHHDUFPD-ZLIFDBKOSA-N 469.519 2.320 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccc4o3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540307 SXVNBSGXZUMTNL-ZJBJCVSYSA-N 487.516 2.214 10 20 JECD Cc1ccsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792218995 YEHHGEGCHHSACZ-HTERZNMPSA-N 458.536 2.480 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cnc2ccccn12 1793065716 LDHVGVILZMUPNY-VYMNDLDVSA-N 462.506 2.345 10 20 JECD Cc1nn(C)c(C)c1CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796935471 NITDJWOSTCDCNN-FNLKRUPLSA-N 462.554 2.011 10 20 JECD COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(O)c1 1799573424 RQSCJMSJZKTSKI-VBUUOAMHSA-N 462.506 2.446 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1sccc1F 1803858259 IDRVMRJATHAEKI-SUMWQHHRSA-N 478.596 2.462 10 20 JECD O=C(CCc1cnc[nH]1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1804427232 PXCQBCWZHVBGFX-CLOONOSVSA-N 485.548 2.236 10 20 JECD O=C1Cc2cccc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c2N1 1807998231 AZGTVZGYNJAKPM-WAIKUNEKSA-N 473.489 2.016 10 20 JECD Cc1ccn2c(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)cnc2c1 1807998770 FUJNQZLASUWWFJ-GAJHUEQPSA-N 472.505 2.477 10 20 JECD N[C@H](C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1)c1cccc(Cl)c1 1809816754 VZZQQBXOTPEORQ-IBGZPJMESA-N 495.070 2.431 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cc2cccnc2[nH]1 1809904535 VUDPJMBKRXNOHN-UZLBHIALSA-N 494.602 2.138 10 20 JECD CC(C)N(C)CC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813597648 YOJNVWFEOIRDGQ-NLFFAJNJSA-N 476.581 2.221 10 20 JECD Nc1nc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cs1 1814162820 RIUHHRCSDJMLEI-UVKZZVNJSA-N 481.534 2.270 10 20 JECD CCn1nc(C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1817842448 FPEOFXLQDLNIEZ-AWEZNQCLSA-N 475.600 2.101 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)C(F)(F)C(F)F)CC1 1824847864 VTSYPPILANTTQI-LBPRGKRZSA-N 469.526 2.367 10 20 JECD O=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)=NN1c1ccccc1 1827716472 OFWNANKDAPXJHV-KAGYGMCKSA-N 452.555 2.170 10 20 JECD O=C1OCCN1CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1828382976 UZRIJSNDSGLWCE-QFIPXVFZSA-N 495.580 2.241 10 20 JECD COC(=O)C12CC(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)(C1)C2 1831603606 ZPKZDXZVWYUQDT-ZPSAWSNLSA-N 457.527 2.069 10 20 JECD CC(=O)N(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876479 HKBFTZQXPWFMPW-FHVRUZERSA-N 473.570 2.305 10 20 JECD CN(C)c1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834988691 FKBHMTWQWDZUBT-UHFFFAOYSA-N 467.570 2.058 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 1836418484 WTALJBSCIXWOAK-YDIMBITNSA-N 487.940 2.020 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1)CCO2 1836597625 KDKXWOUDMBFULB-JXQFQVJHSA-N 487.940 2.020 10 20 JECD CCOCCC(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838111630 HCSOHRMVUHAGTD-UHFFFAOYSA-N 470.570 2.205 10 20 JECD COc1ccc(CC(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c([N+](=O)[O-])c1 1845260873 BBRUAUPVVWGUIZ-VMPITWQZSA-N 483.477 2.180 10 20 JECD O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055099 BZARSPPHJCGFRB-NSCUHMNNSA-N 469.510 2.181 10 20 JECD COc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)c(Cl)c1 1847056592 SENYHKGETGBLLI-UHFFFAOYSA-N 453.973 2.026 10 20 JECD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1847786038 SLNRDKFCIVPCIE-NYVOZVTQSA-N 472.611 2.237 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1847965256 GQSDXHVEGIATJZ-KXNSMUHISA-N 460.531 2.098 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 16878668 GABSOTTXSJHGMI-QHCPKHFHSA-N 453.499 2.288 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccccc1OCCN1CCOCC1 726235902 IVMXKVNPJDORAN-UHFFFAOYSA-N 454.571 2.234 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN3C(=O)OCC(F)(F)F)cc2)C1 727789143 XKEHGMHIAQHRHM-WBVHZDCISA-N 456.465 2.168 10 20 JECD COCCNS(=O)(=O)c1ccc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 918008919 APQZSHADZKTOAJ-UHFFFAOYSA-N 476.599 2.042 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(Cc4cscn4)CC3)CC2)cc1 919900041 FVCSBJDQCKFMKI-UHFFFAOYSA-N 458.632 2.191 10 20 JECD CN(C)C(=O)C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 920048495 IRSXZEVSTPCLLH-IFMALSPDSA-N 451.571 2.407 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3CN3C(=O)CCC3=O)cc2F)C[C@@H](C)O1 920787302 OPKZBUZUBKORIU-CALCHBBNSA-N 496.539 2.343 10 20 JECD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 928992797 XQVHTKPQNCSOFM-IBGZPJMESA-N 479.624 2.477 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1c(F)ccc(F)c1F)C2)c1cc(O)nc(O)c1 1777849096 LJAFSCQFENGBBG-UZUQRXQVSA-N 479.455 2.280 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2)c1cc(O)nc(O)c1 1777849379 UVRQNBSBVLMYID-NTKDMRAZSA-N 484.509 2.161 10 20 JECD Cn1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(C(F)(F)F)n1 1779546069 WZDUVMCUDNZDKD-IBGZPJMESA-N 488.850 2.261 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753017 ZCIDSWWIQUTQQW-BVAGGSTKSA-N 466.582 2.452 10 20 JECD CCOc1cccc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1O 1781977210 MIEDKTPURBWQSQ-AREMUKBSSA-N 492.532 2.027 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)C1 1782600404 WTIKOHJFDZIHAU-JOCHJYFZSA-N 484.490 2.373 10 20 JECD CCN(CC)[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1)c1ccccc1 1782815314 SFDFEROWVWWOOZ-RCZVLFRGSA-N 468.554 2.019 10 20 JECD COc1nccnc1C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792313925 KRFZLSZLFUFMKO-UHFFFAOYSA-N 471.564 2.093 10 20 JECD COc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1793306532 SVEOLQBHWVLGHM-GJEICBNISA-N 494.544 2.219 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1csc(Br)n1 1796601339 VMLDFCGSXAJIAR-JGPRNRPPSA-N 453.318 2.277 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1c[nH]c2cc(Cl)ccc12 1796928004 RNTHBLAIJZPPIX-NXCRSVRDSA-N 456.886 2.145 10 20 JECD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cc1[N+](=O)[O-] 1799768926 GSUPMESVRHXPDL-VPTLXERWSA-N 489.912 2.414 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS[C@@H]1CCCCO1)C2)c1cc(O)c(O)c(Cl)c1 1799769451 LYTQVNKUIOIJHL-GTYSZEQSSA-N 470.975 2.214 10 20 JECD COc1cnc(C(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)cn1 1808777196 GEMYNWYHYNLEHQ-UHFFFAOYSA-N 476.537 2.123 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cnnc2ccccc12 1809134319 ZAXAHYADIBOEPB-HJPURHCSSA-N 470.489 2.464 10 20 JECD O=C(/C=C\C(=O)NC1CC1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1810135162 NQCSQTGHOWXVEV-OSXZDTAJSA-N 484.940 2.301 10 20 JECD CO/C=C(\C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814163559 HNCPKGPOHAYDPC-JLXQOGMLSA-N 453.495 2.468 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)Cc2ccc(F)cc2)[C@H]1c1cccnc1 1814185780 GDPXUDNKOSLNAR-JTSKRJEESA-N 486.594 2.330 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cnc(Cl)s2)[C@H]1c1cccnc1 1814189806 ZMPLUWJQRJTVSI-LRDDRELGSA-N 496.039 2.371 10 20 JECD CC(C)(C)n1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)n1 1816722304 WPZVIHPOMOAKNF-GFCCVEGCSA-N 456.528 2.440 10 20 JECD C[C@@H](Nc1nccs1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1817220767 LVFGHZJMCDMPSQ-KOLCDFICSA-N 460.541 2.132 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)[nH]n1)c1cc(O)nc(O)c1 1817847386 YTFARHUXZVLGDJ-MRXNPFEDSA-N 468.426 2.449 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)COc2ccc(O)nn2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821295021 WGIHWIXSCOLSBY-AWEZNQCLSA-N 488.888 2.355 10 20 JECD O=C(CNC(=O)C(F)(F)F)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1826144774 RRLUGEKHRBMYIR-QMMMGPOBSA-N 492.863 2.112 10 20 JECD O=C(c1cc2cn[nH]c2cn1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428355 OXGRTIDZXAXPOY-LJQANCHMSA-N 450.499 2.311 10 20 JECD CCc1oncc1C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1834314254 JIEWLPPFJSUDDL-GQCTYLIASA-N 484.553 2.252 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)C2)C1 1836418194 GANSMCVRBBRYLL-NAOGDZDTSA-N 473.570 2.169 10 20 JECD Cc1ccoc1C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838115169 LJEDCARZDFMNOA-UHFFFAOYSA-N 465.597 2.061 10 20 JECD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)n1cncn1 1838688495 LTRVIGXDXHATGT-AWEZNQCLSA-N 477.949 2.216 10 20 JECD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)ccc1F 1839321902 AGFWCUMFCDIBPD-CIFMFNLYSA-N 486.496 2.034 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccoc4C3)C2)C1 1839432129 CXZGPUAILFDYNQ-FYSMJZIKSA-N 490.940 2.219 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3sccc3Cl)C2)C1 1840880928 UEUGFSWIHVHGNB-WYAMSBGYSA-N 494.953 2.302 10 20 JECD CCOc1c(F)c(F)cc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)c1F 1843250447 AHOBHBZOCAUWQJ-UHFFFAOYSA-N 451.401 2.440 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC2(F)F)C1 1843852742 KWBOXSIMHRCFBB-HOTGVXAUSA-N 495.523 2.392 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc(Cl)cc(Cl)n2)C1 1844568998 HWKOWAQEBVQCBH-UHFFFAOYSA-N 459.380 2.066 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCC3(N4CCCC4)CCOCC3)CC2)cc1 729587108 OMZAYRRXWGSQQO-UHFFFAOYSA-N 459.635 2.152 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2cccc(OC)c2O)c([N+](=O)[O-])c1 729859948 YOKIHIHKARFVEI-UHFFFAOYSA-N 467.500 2.035 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)cc1 742920370 OLIREUHRNYSWOX-NRFANRHFSA-N 486.638 2.034 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccccc3N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 743432432 MFQGBMJJZQBZPL-NHCUHLMSSA-N 495.624 2.186 10 20 JECD COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)CC2)c1 746983189 VMGBRCWGCSSWNM-UHFFFAOYSA-N 488.610 2.302 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1 748227155 FWOOCQIMOUFETK-HZPDHXFCSA-N 473.505 2.463 10 20 JECD CCOC(=O)c1c(S(=O)(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n[nH]c1C 912541589 IGZNKIJZKUZFLL-ZDUSSCGKSA-N 458.487 2.444 10 20 JECD COC(=O)[C@@H](C)NC(=O)c1ccc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c([N+](=O)[O-])c1 917391532 YYMAWHRZIMJSJK-CRAIPNDOSA-N 483.525 2.200 10 20 JECD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918465195 IGIGMVOFNCASPX-FQEVSTJZSA-N 479.581 2.090 10 20 JECD Cc1cc(C)n(-c2cccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2)n1 918465644 QNBCOZQUFJYDPF-FQEVSTJZSA-N 474.565 2.446 10 20 JECD CC(C)CN1C(=O)/C(=C\Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)C(=O)NC1=S 920979643 FPHBMCHBDJLXKQ-GZQZNAIASA-N 464.613 2.302 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncccc1Br)C2)c1cc(O)nc(O)c1 1777851085 OSTUUTWBECFTSP-QVKFZJNVSA-N 491.342 2.092 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4ccccc4)nc3)C2)C1 1779889115 ADVKFQRSPHXYNO-VWLOTQADSA-N 460.490 2.312 10 20 JECD CCOc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1 1780850471 CHIQEBWEBLRVPD-SANMLTNESA-N 476.533 2.322 10 20 JECD CCn1nccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781121349 QBGLTUBLQJRWKZ-XMSQKQJNSA-N 462.934 2.409 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCC3)C2)c1cc(O)c(O)c(Cl)c1 1781122800 PZGDOAXBXFNVAY-AUSIDOKSSA-N 474.945 2.335 10 20 JECD O=C(CCc1ccc(F)nc1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004512 YJFBZVMCIIZHCX-JOCHJYFZSA-N 463.893 2.362 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cccn4nccc34)C2)C1 1782335953 SZIQINGKAGBXHB-QFIPXVFZSA-N 456.886 2.156 10 20 JECD Cc1c[nH]c(C)c1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1784219155 VTAJXEYAQXBPJA-RUIVDBCOSA-N 483.565 2.374 10 20 JECD Cc1cccnc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1785208259 XSJLWOSAIYMISM-VMORVBSNSA-N 481.549 2.133 10 20 JECD O=C(Cc1ncccn1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1786953878 XWXPVVDPJVGELT-UHFFFAOYSA-N 455.565 2.014 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)C[C@@H]21)c1cc(O)nc(O)c1 1787295287 BZEFUYXIIBVWSQ-UDIDDNNKSA-N 494.592 2.141 10 20 JECD CN(C)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1 1787540172 LOBGMFDETZNRKY-APTRMMRNSA-N 489.576 2.139 10 20 JECD O=C1Nc2ccccc2/C1=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790244914 FLRWGLGQQIMPNW-YAXCBHTKSA-N 497.935 2.380 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ccsc4n3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245157 VVPLVJHZLMOWOE-BNLOLNQZSA-N 476.942 2.368 10 20 JECD O=C(NC1(c2ccc(NC(=O)[C@H]3CCCS3(=O)=O)cc2)CCC1)C1=NN(c2ccccc2)C(=O)C1 1791181370 ZNTTWJLSHLDSCP-OAQYLSRUSA-N 494.573 2.491 10 20 JECD Cc1nc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cs1 1794350650 DZSFZSOBQLXGAU-IDHPPYADSA-N 451.552 2.425 10 20 JECD CC[C@H](C)[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1ccccc1 1795180651 SZFIWSWORKPNRK-ZGMMZYFLSA-N 489.663 2.266 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1OCC3)C2)c1cc(O)c(O)c(Cl)c1 1799768060 HYVWSQMCFVHWQM-CCWDJLKJSA-N 458.898 2.203 10 20 JECD CC(C)OCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1802659242 KVTVAKREFVACQN-XZSBDORCSA-N 455.511 2.343 10 20 JECD COc1cc(OC)c(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c1F 1804332201 QMNZUFPAZRCJAJ-ZSBIGDGJSA-N 499.561 2.094 10 20 JECD CCOC(=O)N1CCC(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)CC1 1808001643 PKNUUSDNWZXQFE-PGRDOPGGSA-N 497.552 2.076 10 20 JECD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n[nH]1 1814164293 XVZJREWBIMCIHH-WZMUZEJKSA-N 477.521 2.192 10 20 JECD C[C@]1(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)CCCN1 1814166634 RQQONKYCPJDYQI-FXIIFXFPSA-N 466.538 2.060 10 20 JECD O=C(CN1CCCC1=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1814600826 OJUZJNWMXAOPNU-NSHDSACASA-N 464.931 2.056 10 20 JECD O=C(C[C@H]1CNc2ccccc2O1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816725864 NAAVJNGCYGQPAA-KBPBESRZSA-N 481.534 2.438 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)C(=O)c1ccco1 1817364560 VRZQLTVGYUYHKF-ZDUSSCGKSA-N 477.502 2.324 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cn4ccccc4n3)sc2C1)c1cc(O)nc(O)c1 1818063373 RVRAEYICLBJERX-LBPRGKRZSA-N 450.480 2.137 10 20 JECD C=CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1820147802 KTUQGCVWSQQNET-MWLCHTKSSA-N 464.931 2.124 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832259043 FDOSHAYGMVECAI-LPHOPBHVSA-N 490.651 2.329 10 20 JECD O=C([C@H]1[C@H]2SC=C[C@H]21)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899239 BJTHKLRMOUAGJV-SAKMYQHLSA-N 465.666 2.342 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCC4)CC2)CC1 1838342268 IQASQJUFKXTCAX-GQCTYLIASA-N 496.564 2.272 10 20 JECD CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1)C1CC1 1843441798 UIOXCYXSNPKLHL-NRFANRHFSA-N 495.580 2.286 10 20 JECD O=C(c1cc([N+](=O)[O-])cc2c1OCC2)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442481 MQPSTQMNEXIRDJ-UHFFFAOYSA-N 489.488 2.140 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1846270092 FBCNBLRALPQBSE-GFCCVEGCSA-N 453.923 2.481 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@H]1c2ccccc2C[C@H]1O 726849742 WHCQIUIJPZGSOB-PKTZIBPZSA-N 462.529 2.400 10 20 JECD Cc1cc(C(=O)NCCS(=O)(=O)N2CCOCC2)c(C)n1-c1ccc(Br)cc1 748057671 IGVAUSZJSWEXII-UHFFFAOYSA-N 470.389 2.248 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)cc2F)C[C@@H](C)O1 918288083 TUILUNSHPUDPLC-HDICACEKSA-N 498.555 2.167 10 20 JECD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)ccc1Cl 918438292 LYUDTCNJNAWHNT-UHFFFAOYSA-N 497.042 2.398 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3c(F)c(F)c(F)c(F)c3F)cc2)C1 918463893 OGJCJPLUNUUKHW-LLVKDONJSA-N 470.398 2.339 10 20 JECD Cc1ccc2c(c1)C(=O)N(CC(=O)OCC(=O)NCc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)C2=O 918989691 ZHDRSQBHMKJAQC-IAGOWNOFSA-N 497.523 2.203 10 20 JECD COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)NCc1ccccn1 919767081 AWDLGBYIILPVCT-UHFFFAOYSA-N 496.589 2.335 10 20 JECD COc1cc(CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)ccn1 919782827 NWBBMQJQIUNIOT-UHFFFAOYSA-N 451.506 2.345 10 20 JECD Cn1c(O)nc2cc(C(=O)NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)ccc21 920291271 PBGIJLHUNODPNG-UHFFFAOYSA-N 461.501 2.465 10 20 JECD C[C@@H](NC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCOCC2)cc1 920920178 JBHFLJZTGMUGAS-DYESRHJHSA-N 468.554 2.208 10 20 JECD COc1ccc(OCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1782003807 YGRZRXWQPABDKX-QHCPKHFHSA-N 476.913 2.282 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3cccc4ccncc34)C2)C1 1782249769 UYQHXUWCDIKJIZ-MHZLTWQESA-N 483.528 2.471 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1)C2 1783219888 HAWGSCNWFFHOCH-YGBPNOIISA-N 453.495 2.039 10 20 JECD COc1cc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)n(C)n1 1787068843 YWROVOPBTHLTDL-UHFFFAOYSA-N 473.580 2.037 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4c(s3)CCCC4)C[C@@H]21 1792239143 OEMLHSXMCONWCL-JYJNAYRXSA-N 493.676 2.081 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2cnnc2)cc1 1795935751 YDCVOKKUGDISKB-UTIDIXMJSA-N 475.505 2.349 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCC(=O)N2C1)c1cc(O)c(O)c(Cl)c1 1799932607 FLUKVLFONQBUII-FMPTWSOUSA-N 461.946 2.404 10 20 JECD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1F 1801503125 PEDHXOHHGAZHHI-USGNIVHTSA-N 478.904 2.345 10 20 JECD C[C@H](Nc1nccs1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804286691 YQIUUVZHXNXMSB-RSCUQUGOSA-N 458.540 2.412 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)C1Cc2ccccc2C1 1814280473 YVVTVKDZQLDLGV-AUSIDOKSSA-N 494.642 2.363 10 20 JECD O=C(/C=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)NCc1ccccc1 1814843438 SVXJSVHGYXSEKR-JBVUFVISSA-N 490.520 2.394 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cn3ccsc3n2)[nH]n1 1823500081 MNLSRMZKLRWELO-ZDUSSCGKSA-N 489.608 2.285 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)c2ccccc2)CC1 1826659452 XJHFUCYFFBLHSO-GHTZIAJQSA-N 475.636 2.200 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)CSc1ccncc1)CC2 1828239723 DYPRYZGEEXLJOW-NSHDSACASA-N 493.661 2.103 10 20 JECD Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c(O)n1 1829738886 RBHLORYHYHBGFG-KRWDZBQOSA-N 476.624 2.189 10 20 JECD O=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1832810438 UJVQXRDRTJIXDQ-JOCHJYFZSA-N 450.539 2.378 10 20 JECD CC(C)(C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccccn1 1834988380 LDWAHZZMJFWDHV-UHFFFAOYSA-N 467.570 2.051 10 20 JECD CC(C)[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)CC1 1836419631 QYKRXAVVUUMUEJ-XFAGBWLFSA-N 461.559 2.025 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3c[nH]c4cnccc34)CC2)CC1 1838029891 NEQAXIIGYWBKJS-UHFFFAOYSA-N 465.510 2.295 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433195 OZOPAORGHQGBOX-VOIUYBSRSA-N 489.956 2.095 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2csc(-c3ccccc3)n2)C1 1843572027 LJGPZCWTLIPWEX-UHFFFAOYSA-N 472.617 2.487 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccc(N3CCCC3)c(F)c2)C1 1844715078 JKEXBEJSUZXZCF-UHFFFAOYSA-N 476.599 2.103 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 727173793 WHUGQECVDFNUJT-UHFFFAOYSA-N 455.895 2.154 10 20 JECD Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1C(=O)NC(C)C 731286082 QIVRKCVVTPBLBR-LJQANCHMSA-N 479.581 2.090 10 20 JECD CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 750862173 WKCYGWHBAUYVJO-UHFFFAOYSA-N 459.568 2.297 10 20 JECD C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1)c1ccc(N2CCOCC2)cc1 920922272 BEJRSGIOVUQWIW-KRWDZBQOSA-N 452.511 2.291 10 20 JECD COc1ccc2oc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)nc(O)c5)CCO4)C3)cc2c1 1778421462 UKNTYTOCSKSTHI-HSZRJFAPSA-N 453.451 2.005 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783221882 PPZVOEUBECVLNR-ATCQTIRPSA-N 496.564 2.226 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1788237376 SPBAYEAOLXIJBE-WMCFXIKDSA-N 452.555 2.195 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3ccc4c(n3)OCCO4)cc2)CCC1 1788515853 UPGCSUQGLNCXFE-UHFFFAOYSA-N 498.586 2.461 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)NC4)C[C@@H]32)cc1 1790124419 XQCSNLLXXTYIMP-WMIMKTLMSA-N 478.593 2.214 10 20 JECD COc1ccc([C@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1792830723 SLBZPPZIDZCNEU-CQLGTRJWSA-N 482.533 2.219 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1796455423 HIRMXBDAVQNUKU-UWSZBUKDSA-N 466.582 2.164 10 20 JECD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)n1cccc1C=O 1796931755 HZDRKUFMEXUHGF-IZBJGVDFSA-N 461.522 2.293 10 20 JECD COc1ccsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799769131 NXDIFMUAEBUYFM-DRXBFXEBSA-N 452.916 2.338 10 20 JECD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)ccc1[N+](=O)[O-] 1799770113 HNBKZXCKQHGURP-HBCWATKFSA-N 491.884 2.185 10 20 JECD CCOc1ncccc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1802319643 UWKYIMCYOFQEAP-UZLBHIALSA-N 499.618 2.055 10 20 JECD CC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1802550637 XPKMLXQKWIBGGS-ZAAXVRCTSA-N 474.945 2.381 10 20 JECD CC(C)N1CCC(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)CC1 1806646465 XRXXXHZXISLOOK-UHFFFAOYSA-N 480.700 2.198 10 20 JECD COc1ccc(OCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1807990786 ACBFJCFYBGTZAA-OSPHWJPCSA-N 478.505 2.295 10 20 JECD Cn1ncc2cc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)ccc21 1807996270 PZTSALIIGNVRAT-HXOBKFHXSA-N 472.505 2.408 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ncc1[N+](=O)[O-] 1808662580 LVRATDXBWINIIK-YCRPNKLZSA-N 478.465 2.133 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cn2ccsc2n1 1809935494 WSELYKGJCWDWHR-IFXJQAMLSA-N 464.507 2.230 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)N1C[C@@H]2C[C@H]2C1 1810166782 WSPAHEQGZDLOBI-YTVXKGOISA-N 492.576 2.258 10 20 JECD Cc1nccnc1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1811090480 WPAXKQPZZMAPGG-DPLQINJDSA-N 475.505 2.330 10 20 JECD Cc1nn[nH]c1C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811804422 WEWCJQRUKCHIFE-FZKQIMNGSA-N 456.890 2.206 10 20 JECD CC(=O)CCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162009 FALIINBRVRRWOC-LFXIQIKPSA-N 453.495 2.287 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CCc2ncc[nH]2)[C@H]1c1cccnc1 1814164993 APXXCOJEPXCAAS-LBVNMZTGSA-N 477.521 2.274 10 20 JECD Cc1ncsc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814186124 LUXARIMPNWIPGV-PBHICJAKSA-N 475.621 2.026 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccccc2F)[C@H]1c1cccnc1 1814190114 QSSBLMJTBVUXAA-YWZLYKJASA-N 472.567 2.401 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1ccc[n+]([O-])c1 1816060665 ZPLXSBCKNFQIRG-LKUPDRCFSA-N 465.466 2.179 10 20 JECD COCc1oncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1817805850 BDLMBACOPWPBCW-QDBLGGKGSA-N 486.506 2.334 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3[nH]cc4c3CCC4)sc2C1 1821202641 UKNPHIVGXZOOJU-NSHDSACASA-N 475.621 2.046 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1823794913 UFSAWHFAMBVDDF-BJIJGURPSA-N 473.570 2.351 10 20 JECD CC(C)O[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1829028262 QEYRPPOLQBEXJA-NVXWUHKLSA-N 455.646 2.280 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnnc2O)CC1 1829541155 SFSYEUQYMSKTRS-FZMUQLTDSA-N 468.510 2.246 10 20 JECD Nc1nc2cc(C(=O)NC3CCN(C4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)ccc2s1 1834746585 ZPVPSJMERKHKIA-UHFFFAOYSA-N 496.593 2.184 10 20 JECD CCc1cc(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)no1 1835132864 UOOONNZAUHBBJH-UHFFFAOYSA-N 492.580 2.215 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1839434039 JXRXVRLQDCRNSH-QHCPKHFHSA-N 486.912 2.011 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)cc1 1840609098 OLEQQVZLXVTLCU-VNAWGFGGSA-N 479.577 2.057 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1csnn1)C2 1843330616 IZOZJNQDVUDADF-QGZVFWFLSA-N 486.598 2.073 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2ccc(CO)o2)C1 1844468006 PRVGJALSXRAAES-HXUWFJFHSA-N 498.580 2.307 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)CCc2cnc3[nH]ccc3c2)C1 1846254612 DZHCKOPQCIHAOY-UHFFFAOYSA-N 470.533 2.492 10 20 JECD CCOCCC(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1846681215 ZDJGOHJAKJCMGR-GOSISDBHSA-N 491.585 2.164 10 20 JECD Cc1occc1C(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 25621010 BVVHQTDWTDTORX-RQZCQDPDSA-N 474.516 2.491 10 20 JECD O=C1CCCc2cc(NC(=O)C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc2N1 728760640 FTRGNAQSFCIWHC-UHFFFAOYSA-N 450.539 2.425 10 20 JECD C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)C1 731219794 HWBGVCKWIOZXOG-PZJWPPBQSA-N 475.609 2.184 10 20 JECD O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 915269338 VHDKSYBCMWUVMW-GOSISDBHSA-N 466.581 2.203 10 20 JECD CS(=O)(=O)c1ccc(NCCNC(=O)NCc2ccc(N3CCSCC3)cc2)c([N+](=O)[O-])c1 916221316 FCPUUYIYPQJEGG-UHFFFAOYSA-N 493.611 2.463 10 20 JECD O=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 916968047 LVRQUJZUIVEJLS-UHFFFAOYSA-N 474.964 2.390 10 20 JECD COc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1S(=O)(=O)NC(C)C 917708115 GJGAJLYJNRWCBU-UHFFFAOYSA-N 465.547 2.288 10 20 JECD C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1)n1cncn1 918297261 ONHQGQDUYXMALD-DYESRHJHSA-N 492.536 2.330 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H](C)NC(=O)c3cccs3)cc2F)C[C@@H](C)O1 919049819 AGTHCTGFWNDXSV-BZUAXINKSA-N 477.558 2.479 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(N2CCOCC2)nc1 919761474 DEAYJMAEBCOWHG-UHFFFAOYSA-N 477.544 2.104 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccc3nc[nH]c13)C2)c1cc(O)c(O)c(Cl)c1 1781122702 CKHWNQHIVGBANR-UZUQRXQVSA-N 485.928 2.464 10 20 JECD O=C(CCCc1ccccc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1784063021 BDCLYQKFTVXHBI-QRFRQXIXSA-N 457.502 2.248 10 20 JECD O=C(Cc1cccc(Cl)n1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1785427152 OGUUHIFOVAZKQW-LRQRDZAKSA-N 495.967 2.050 10 20 JECD Cc1nccn1[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1791705269 UQTNFXIHEQMDLV-HAHWVIBASA-N 462.934 2.111 10 20 JECD COc1c(Cl)cccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1792022188 HPDYWMJPYXISMG-NUTKFTJISA-N 461.902 2.062 10 20 JECD COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cc1 1792218529 JTQPUFLWDHRCER-CUDYJJFBSA-N 482.533 2.048 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1OCCO3)C2)c1cc(O)c(O)c(Cl)c1 1799768047 FVCVMUOHKVSVOJ-HBCWATKFSA-N 474.897 2.039 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1F)C2)c1cc(O)c(O)c(Cl)c1 1799768199 NLRJFEZRCKMSTR-VTEUUUEMSA-N 464.877 2.173 10 20 JECD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c(-n2nccn2)c1 1799768871 DSODSJNKZBJYJC-VPTLXERWSA-N 497.939 2.157 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccs1)C2 1802081302 PHWMMGOYDQKAEK-CPVVTZALSA-N 458.536 2.101 10 20 JECD COc1ncc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1F 1804961712 WRAKCWHZHMOTNE-VLIAUNLRSA-N 467.457 2.064 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1808001805 XKOVRPFTFGRFFS-UZLBHIALSA-N 485.541 2.121 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cccc2c[nH]nc12 1808065259 FYVHETMDCQHEPJ-KKSFZXQISA-N 494.602 2.138 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cnccn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811797798 WLPJGFUOKLBHAH-VFNWGFHPSA-N 467.913 2.499 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCC3)CC2)C1=NN(c2ccccc2)C(=O)C1 1817362582 ZZFBUHKTMPTSMO-AWEZNQCLSA-N 489.561 2.305 10 20 JECD C[C@H]1CCc2c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CN4C(=O)CSC4=S)[nH]n3)n[nH]c21 1818641413 NLUPZMHRERITJB-SMDDNHRTSA-N 487.611 2.349 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2NC(=O)C3)[nH]n1 1823499347 AEQLVEYVGVVPFE-OAHLLOKOSA-N 498.590 2.071 10 20 JECD Cc1cccc(/C=C/C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)n1 1828243788 VUUKNRQFMNDGSC-IZPAUZPXSA-N 487.632 2.332 10 20 JECD O=C(c1nccs1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898156 BYLCUQZQFSNXEC-CQSZACIVSA-N 452.627 2.237 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1)CCO2 1836597624 KDKXWOUDMBFULB-IMWIBFENSA-N 487.940 2.020 10 20 JECD Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)cc1O 1838660696 WQSNBMAURLMODN-UHFFFAOYSA-N 491.635 2.173 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)C(C)C)C3)C2)cc1 1839348775 LEHDIAOSWRJGNA-ZEQKJWHPSA-N 469.582 2.181 10 20 JECD CC(C)OCC(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1841127726 OSIIOMLARVWLIM-HXUWFJFHSA-N 474.602 2.333 10 20 JECD COc1ccc(/C=C/C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)c(OC)c1OC 1841435543 FLHNYCQEPCGQFI-SOFGYWHQSA-N 469.494 2.049 10 20 JECD CC[C@@H](C)[C@@H](N)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331335 LVDBOMMQHCBENH-DUXKGJEZSA-N 487.645 2.281 10 20 JECD Cc1nccnc1C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331378 RHKBYUQUOYWVSQ-HXUWFJFHSA-N 494.596 2.320 10 20 JECD C/C=C/C(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1845962714 WCMAVYIOAZAJFN-UABRLCRWSA-N 459.543 2.313 10 20 JECD COc1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c(OC)c1 1847038171 DGVJFWWDBGDUJI-WEVVVXLNSA-N 454.479 2.351 10 20 JECD COc1ccc(N2CCC(NC(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)CC2)cc1 726709586 PJUBSVPCARYKSZ-UHFFFAOYSA-N 466.586 2.097 10 20 JECD CCN(C1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1)S(C)(=O)=O 731359477 KSMJYPKSHIVCES-IAGOWNOFSA-N 470.611 2.395 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])n2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 761061707 POKQGEQEZFMSBR-UHFFFAOYSA-N 460.468 2.028 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3Cc4c(OC)ccc(OC)c4[C@H](O)C3)CC2)cc1 916197427 ZDFIAJFMBAIPPL-JOCHJYFZSA-N 484.597 2.483 10 20 JECD COc1cccc(/C=C(/C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n2nnnc2C)c1 917708536 INWJJDJGEICIIB-HMAPJEAMSA-N 452.490 2.280 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2F)C[C@@H](C)O1 917714291 UERSAGFYAGJPDE-ZIAGYGMSSA-N 470.457 2.260 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 918284484 HSFGMYOVEHZLBH-UHFFFAOYSA-N 491.523 2.242 10 20 JECD Cc1ncsc1C(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 919164603 KBYAZHBSGXIDDS-CHHVJCJISA-N 491.572 2.355 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1 920636841 NUDBWTLFVQWUBA-UHFFFAOYSA-N 499.948 2.057 10 20 JECD COc1cccc(/C=C(/C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)n2nnnc2C)c1 928982720 ACPDWEPQDZYDAW-HMAPJEAMSA-N 464.526 2.256 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3cc(O)nc4ccccc34)C2)C1 1777761515 RUOXNHPVADESNJ-MHZLTWQESA-N 499.527 2.177 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(Cl)s1)C2)c1cc(O)nc(O)c1 1777850848 KEXCTJYDAUEPOF-BFUOFWGJSA-N 452.920 2.044 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(F)(F)c1ccco1)C2)c1cc(O)nc(O)c1 1777851451 ZNLBZFFWTOWHRQ-JLTOFOAXSA-N 451.426 2.005 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1782009655 YIEIMZFXSSNLFP-MNCIPDHPSA-N 497.935 2.105 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)ncn1)C2 1783221725 MIDCPSAGZPRRGO-FKSJFJBLSA-N 488.928 2.088 10 20 JECD O=C(CCc1ccoc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1791731436 STPOVWJEXHDBMD-AJDLMDNBSA-N 456.495 2.022 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncccc3c1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479622 LVBGPVOUWOPONA-NXKWYNOOSA-N 483.528 2.231 10 20 JECD CC(C)(C)OC(=O)NCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796605638 VKOYVHCAVKJSOG-MUJYYYPQSA-N 462.547 2.296 10 20 JECD CCOC(=O)N[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1798268703 AFTCBUQWYKHDAN-SQMWVJLWSA-N 468.554 2.410 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)n1 1798770501 MSRTYOXZLHNUAK-ZSBIGDGJSA-N 472.514 2.213 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-c3ncc[nH]3)cc1)C2 1802082584 VEHBMBOSOHJKKU-VBNMUIRISA-N 490.516 2.110 10 20 JECD Cc1[nH]nc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)c1F 1808464861 PWVRFIOUWDSZDI-SBUREZEXSA-N 489.511 2.365 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1nc2ncccn2n1 1809229767 GBYRPHQAAVRFTC-KSSFIOAISA-N 493.911 2.217 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)CCc3cncnc3)C2)CC1 1810080831 WQUDCJQMLZKHBE-QPJJXVBHSA-N 466.538 2.471 10 20 JECD Cc1nn(C)c(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)c1F 1814162313 IJWWIYROURVDCG-QXMHPGBQSA-N 495.511 2.412 10 20 JECD CC(C)Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)n(C)n1 1815996933 QAPBIJBPHADKPS-ZDUSSCGKSA-N 470.555 2.421 10 20 JECD Cc1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)nn1C 1818146163 UWMSZAIPXWCOOQ-NRFANRHFSA-N 488.552 2.479 10 20 JECD Cc1noc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)n1 1818146516 NKWIICMROGOUJL-SFHVURJKSA-N 476.497 2.129 10 20 JECD Cc1ccn(C)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1820361932 QYKKNCWCWHAXNM-AWEZNQCLSA-N 460.585 2.223 10 20 JECD C[C@H](Nc1cnccn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428120 ISVTXIHYEBEMLT-YJBOKZPZSA-N 454.531 2.017 10 20 JECD O=C(COC1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1830385365 VWLGNKGSJPMNSF-HSZRJFAPSA-N 482.961 2.171 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccc2O)CC1 1831474444 COZZUQZNQLZSGV-SFHVURJKSA-N 475.636 2.415 10 20 JECD O=C([C@@H]1CCCS1(=O)=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878451 PKJQUCWDNUKYEO-QWSUTHEZSA-N 492.594 2.014 10 20 JECD COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)ccc1O 1832902124 ZBVXYHWGOCFKQQ-KRWDZBQOSA-N 491.635 2.494 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)[C@H]1CCc2ccoc2C1 1833363301 NDNYIDMEGBGLQN-KRWDZBQOSA-N 468.554 2.076 10 20 JECD COc1ccc([C@@H]2C[C@H]2C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834985936 REAUSEUEEHQNTN-XZOQPEGZSA-N 494.592 2.490 10 20 JECD COc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1836593922 CQGZANCMVHJGLF-UHFFFAOYSA-N 485.537 2.193 10 20 JECD CC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1837820879 YLSDDWMUZOHEPL-HWKANZROSA-N 454.470 2.470 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cccn4ccnc34)CC2)CC1 1838029939 SNKMHIDSMXHWQW-UHFFFAOYSA-N 465.510 2.067 10 20 JECD Cc1n[nH]c(C)c1CC(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838657011 GHDLIXDOERZLMP-GQCTYLIASA-N 498.580 2.398 10 20 JECD CC(C)CCC(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838752086 UCNYKOXBMQELQO-UHFFFAOYSA-N 455.646 2.282 10 20 JECD Cc1cc(Cl)c(Cl)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1839461629 NBVUTFIWLWAKKS-QFIPXVFZSA-N 496.347 2.492 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 1840880841 NXUYRHPPWBNLHS-JFAKYYBVSA-N 493.516 2.068 10 20 JECD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037087 DONQFEGQMZECBT-XVNBXDOJSA-N 471.441 2.310 10 20 JECD C[C@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 10795575 GHGLONURCNJQON-ZDUSSCGKSA-N 478.482 2.293 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)CC2)cc1 726725416 CMWDYYNGBOQHPO-UHFFFAOYSA-N 465.959 2.476 10 20 JECD COCCOc1ncccc1NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 728137948 MEPPIPKKLBVSLS-IYBDPMFKSA-N 460.506 2.114 10 20 JECD CC(=O)N1CCN(CCNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 729316844 SDGGGONBUVHBIN-SAPNQHFASA-N 466.654 2.010 10 20 JECD C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)C1 731219793 HWBGVCKWIOZXOG-FPOVZHCZSA-N 475.609 2.184 10 20 JECD Cc1cc(C(=O)CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 757915842 GJRCAQVQMOCVMF-KRWDZBQOSA-N 469.922 2.424 10 20 JECD Cc1cc(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)n1-c1ccccn1 914614211 VACVKFVYTFSKCX-UHFFFAOYSA-N 453.499 2.178 10 20 JECD COc1ccc(C(=O)N2CCN(Cc3cc(C(C)=O)cc(CN4CCOCC4)c3O)CC2)cc1 914782408 DCZNYDCMOZFOMR-UHFFFAOYSA-N 467.566 2.394 10 20 JECD Cn1cccc1C(=O)N1CCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 917126229 RNHWJYNZQASAPE-UHFFFAOYSA-N 456.502 2.197 10 20 JECD COc1ccc(N2CCN(C(=O)CNc3ccccc3C(=O)N3CCC[C@@H](O)C3)CC2)cc1 917824444 WLDZDFRHCUGZDZ-HXUWFJFHSA-N 452.555 2.053 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC3CCN(C(=O)c4ccoc4)CC3)cc2)C1 918117831 KLHMQHRKZQWDEA-GOSISDBHSA-N 453.543 2.085 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 918440256 PSFJRQFKHXZSGU-UHFFFAOYSA-N 498.555 2.043 10 20 JECD Cc1cc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(Br)c1 918568630 RKJOUDLYBWOFQN-INIZCTEOSA-N 482.400 2.280 10 20 JECD COCCN1C(=O)/C(=C/Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)C(=O)NC1=S 920979077 TVFLMKNCSAABDA-LWFDYCOSSA-N 452.536 2.363 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCC(CO)CC1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126501 YLUXLVRBBJFYBX-PEOIBFCHSA-N 496.608 2.092 10 20 JECD COc1ccc(COCC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1782008614 FSUPJQHIBMQZCE-XMMPIXPASA-N 490.940 2.420 10 20 JECD Cc1cccc2c(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)n[nH]c12 1785510006 KZSURGQMSBHRPW-UVXPNCNTSA-N 478.505 2.145 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1cccc3ccccc13)CCO2 1785539609 FCOWQMGQCLCLEK-HSZRJFAPSA-N 469.588 2.144 10 20 JECD COc1ccc2c(/C=C/C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)c[nH]c2c1 1787292335 SEZQNMULVGOLKL-NVZXKRJNSA-N 492.532 2.289 10 20 JECD O=C(CCCC(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1793735971 FMGBYTHRVWIDQM-SKBGBOCVSA-N 458.433 2.139 10 20 JECD CC(C)c1nc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)no1 1794271917 MMAQTLYWZHINPP-VBUUOAMHSA-N 464.526 2.167 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(Cl)c(Cl)c1 1798879901 HNSKDSKJXPFNFX-IVWMJMPLSA-N 452.294 2.317 10 20 JECD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c(F)c1 1799521953 MLNSJZLCSKWHKL-DBWKPXFBSA-N 464.877 2.416 10 20 JECD CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1 1801788281 CPHOAOBZRQJCRZ-CWPLJXCYSA-N 473.913 2.227 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccc(Cl)cc3n1)C2 1802079586 LVKBOROBLFIZQA-GAKFLWOGSA-N 498.923 2.021 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1csnn1 1803758031 WJBCHTPBXBCLDI-ZIPBJVRUSA-N 467.507 2.083 10 20 JECD COc1cc(Cl)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c1 1804340041 GLYJFIZQPYQESA-QDMKHBRRSA-N 468.000 2.461 10 20 JECD CN1CCC[C@H](C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)C1 1807573971 GQGXKVQOSRGXMC-NTQUVGCOSA-N 480.565 2.259 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)n1cccc1C=O 1807992852 DONPVRGRNBVOLP-JLDZCNIISA-N 463.494 2.083 10 20 JECD COc1cc(CCC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccn1 1807993893 PTAMJPHBLIHSJW-UUOWRZLLSA-N 477.521 2.244 10 20 JECD COc1ccc2[nH]cc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c2n1 1811321803 OIPNSCINCWETBN-CMJOXMDJSA-N 488.504 2.406 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)[C@@H]1CCCO1 1812847886 LTYOJLUZFBZYAQ-OMQJBHTJSA-N 453.495 2.097 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)C1CCC(O)CC1 1813194528 QYCOWTNLELVUPD-NQRRVNEBSA-N 489.576 2.431 10 20 JECD CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1813621016 ZTFBIFGLIXXOGL-ZWCUEREDSA-N 453.543 2.080 10 20 JECD Cc1cccc(CCC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)n1 1814184768 FRZWQYVXNAINMR-WZONZLPQSA-N 497.646 2.284 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)C(Cl)(Cl)Cl)[C@@H]1c1cccnc1 1814190191 SRLHHDNOQWDAMH-BXUZGUMPSA-N 495.841 2.318 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3ccnnc3O)sc2C1)c1cc(O)c(O)c(Cl)c1 1821102603 TUAQQFOTVIFWQV-VIFPVBQESA-N 461.887 2.243 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2CCCCO2)[nH]n1 1823496071 CJESOSOTDYYYDN-UKRRQHHQSA-N 465.601 2.221 10 20 JECD Cn1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)n1 1823708596 JFRREWORCNRHCE-NSHDSACASA-N 461.931 2.410 10 20 JECD Cc1cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)on1 1825020744 KFMROIBVQVSLMA-KRWDZBQOSA-N 464.613 2.006 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(F)s1)CC2 1828239947 MBUPZXKFOUZHDP-QMMMGPOBSA-N 470.598 2.430 10 20 JECD O=C(CCN1CCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1828398072 GODDLBSUKNMCFU-INIZCTEOSA-N 480.594 2.334 10 20 JECD CN[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1)C(=O)O 1830737279 MXLYIABGPGYYHX-IAGOWNOFSA-N 467.950 2.047 10 20 JECD Cn1nc2c(c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c3cc(O)nc(O)c3)CC1)CCC2 1830983502 LOBVEKMYVXFUJB-IBGZPJMESA-N 453.543 2.262 10 20 JECD COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)nc1 1832902455 MIEXYYSDTLMQBL-GOSISDBHSA-N 476.624 2.184 10 20 JECD Cc1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)nc1 1834986056 YIKKQCSJGFDNLS-UHFFFAOYSA-N 467.570 2.014 10 20 JECD COc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c(F)c1 1834987491 WFBOKEMSPXAPEA-UHFFFAOYSA-N 472.517 2.140 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCc4ccccc4O3)CC2)CC1)c1cc(O)nc(O)c1 1834988180 IIDUAXBKKPRTOJ-QFIPXVFZSA-N 480.565 2.072 10 20 JECD Cc1nc(C)c(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)s1 1837441628 PYJGXQDHCFKBIT-UHFFFAOYSA-N 496.680 2.232 10 20 JECD CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1838992659 GEQIQAFGIYZACM-QTOANSKZSA-N 482.533 2.149 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)c3ccco3)C2)C1 1839433105 LGVPROROMBMBPI-HXUWFJFHSA-N 486.855 2.206 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccoc3Cl)C2)C1 1839433950 ZBGCAKWEKRCLAS-FQEVSTJZSA-N 471.293 2.381 10 20 JECD Cc1onc(-c2ccncn2)c1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442684 UIHGWOLDRCIDJU-UHFFFAOYSA-N 485.504 2.050 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)C1 1845144114 VGLQOZANZAWJHS-UHFFFAOYSA-N 488.591 2.080 10 20 JECD O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847050984 OBVMAYUZSPJJKI-ZIAGYGMSSA-N 465.547 2.132 10 20 JECD CC(C)(C)OC(=O)NCC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1847303827 BDPRTNAAHCCMJL-PMACEKPBSA-N 495.580 2.286 10 20 JECD C[C@H]1CN(C[C@@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@@H](C)O1 729600353 XYPZHEOYNFWOQR-XZYOPWHXSA-N 457.619 2.172 10 20 JECD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(N3CCCC3)cc2)c1 915082669 PYJGUGKRRIHTAK-UHFFFAOYSA-N 472.611 2.364 10 20 JECD CON(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 916674312 YZKNASKNEHDMHX-UHFFFAOYSA-N 466.535 2.290 10 20 JECD COCCNC(=O)c1ccc(NC(=O)C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1Cl 918461807 MNVBOPQSYDHFLB-UHFFFAOYSA-N 488.972 2.402 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)cc3)nc12 918961399 VBAPWJRPYDDPJK-UHFFFAOYSA-N 476.511 2.045 10 20 JECD CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 920194464 DAXYNVYBELXQQF-UHFFFAOYSA-N 468.554 2.025 10 20 JECD COc1cccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1782000834 CAAVPNKGAQWLIG-HSZRJFAPSA-N 460.914 2.446 10 20 JECD COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)ccc1O 1782007444 GAKRAXBCXDKVIM-JOCHJYFZSA-N 462.886 2.223 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1783325045 RVEDUJOCCIEODX-KHGIRQKXSA-N 468.506 2.114 10 20 JECD Cc1ccc(-c2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)CN5C(=O)CSC5=S)C4)C3)c[nH]2)cc1 1785538396 ZYHJIBGWDIFLQY-XMMPIXPASA-N 498.630 2.294 10 20 JECD CC(=O)N[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788674235 XYLISDRXWVICCS-INIZCTEOSA-N 461.522 2.438 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(F)(F)F)CCC1 1795481075 DVTQXUGFZHCFAO-CCWDJLKJSA-N 478.471 2.102 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccccc1Cl 1795630293 XEYSTSDLZNPXQY-QDMKHBRRSA-N 452.001 2.381 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc[nH]n1)C2 1798418320 OGJDRXBGPPITKU-SFNKJDCFSA-N 499.568 2.209 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2)c1cc(O)c(O)c(Cl)c1 1799768441 ZPEKCEHXRSFRSH-IVWMJMPLSA-N 479.848 2.316 10 20 JECD Cc1cc(C)n2ncc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c2n1 1809191848 YJBYRSZQFXPGEV-HTAPYJJXSA-N 487.520 2.181 10 20 JECD Cc1nc(F)ccc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1811135585 QCBTVVHOVDLDOD-YWZLYKJASA-N 487.582 2.104 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)[C@@H]1[C@H]2COC[C@H]21 1813659360 KJFWNUIMTXJERQ-BYYUCUBISA-N 457.914 2.358 10 20 JECD Cc1ncsc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814186129 LUXARIMPNWIPGV-RHSMWYFYSA-N 475.621 2.026 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cccc3nc[nH]c23)[C@@H]1c1cccnc1 1814189688 WBYCVJLQRAMXGK-YCRPNKLZSA-N 494.602 2.138 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc(O)ccc2F)[C@@H]1c1cccnc1 1814190288 WBYZVUSIFPMCEE-VBKZILBWSA-N 488.566 2.106 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)C(=O)c1ccccc1 1816716628 HQQTWOAUKURCEB-HNNXBMFYSA-N 471.564 2.145 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728079 HFGDLPVBXJZXLX-GFCCVEGCSA-N 477.543 2.090 10 20 JECD CCOC(=O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367253 UXBGNPDTUTUXSK-AWEZNQCLSA-N 497.577 2.437 10 20 JECD Cc1ccoc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1817428357 RGIWLQRJSNWHTD-JTQLQIEISA-N 450.567 2.131 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)C1 1817845545 OMQHQXAXMJNFSG-INIZCTEOSA-N 486.529 2.389 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823706756 QJVSCFQQBNFQPM-WCQYABFASA-N 466.947 2.348 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cnccn2)CC1 1824305242 XBPSWRPTHMIZMQ-QHCPKHFHSA-N 474.565 2.432 10 20 JECD O=C(c1cccc(N2CCOCC2)n1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427111 GDPTVJNXSMKUKR-NRFANRHFSA-N 495.580 2.272 10 20 JECD COCCn1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)n1 1828199471 UZQRQYZXLJIKIK-RRFAQUSLSA-N 499.549 2.042 10 20 JECD Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)o1 1828240645 YTEQZQAPKHPXBH-SNVBAGLBSA-N 450.567 2.131 10 20 JECD O=C(CC1CC1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCN2C(=O)OCc1ccccc1 1829037372 FPYWUSMAMPPEQQ-SANMLTNESA-N 494.548 2.359 10 20 JECD O=C(CCN1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877552 QPEUEEJZTFCCCS-GZNAHNRGSA-N 487.597 2.159 10 20 JECD C[C@](O)(CC(=O)O)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878724 ZYLHEUNLAWNAKP-HABRTCSESA-N 490.553 2.052 10 20 JECD CC(C)c1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)co1 1833348638 UHYFWBTZWOSEMR-JOCHJYFZSA-N 479.917 2.246 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)c3ccncn3)CC2)CC1 1838117454 HDRJEAVLQLWKKZ-UHFFFAOYSA-N 460.918 2.467 10 20 JECD O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249087 UUNNEQPXIRKWEU-UHFFFAOYSA-N 467.457 2.132 10 20 JECD CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)CCOC1 1845501899 PBVXZRWWXMDXFV-QHCPKHFHSA-N 495.960 2.252 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N[C@H]3CCN([C@@H](C)c4ccccc4)C3)nnc2n1 108817074 CEHSCIJSUUWTHS-RDJZCZTQSA-N 469.619 2.427 10 20 JECD CC(C)C(=O)N1CCCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 727858495 BWUJSFRDORUUQL-UHFFFAOYSA-N 490.538 2.432 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3cnn(Cc4ccccc4)c3)cc2)C1 746703147 YUFVMZBOXJMDGW-FQEVSTJZSA-N 453.568 2.112 10 20 JECD CCN(CC)C(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(N(CC)CC)cc2)c1=O 914582321 UEBHUXPDSKWZOX-UHFFFAOYSA-N 455.624 2.213 10 20 JECD COc1cc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OCC(=O)N(C)C 916641498 MSRFJXKSKCJRMW-UHFFFAOYSA-N 470.570 2.340 10 20 JECD COc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1S(=O)(=O)NC1CC1 918138052 GBQLQXNPYCNKFR-UHFFFAOYSA-N 463.531 2.042 10 20 JECD CCCNC(=O)CN1CCC(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 918212481 NAXASUWPXVDXSY-ROUUACIJSA-N 463.598 2.229 10 20 JECD Cc1c(NC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(=O)n(-c2ccccc2)n1C 918288925 XSFSGMDNFLIYMD-IAGOWNOFSA-N 495.555 2.492 10 20 JECD O=C(COC(=O)c1ccc2c(c1)NC(=O)CS2)NCc1ccc(N2CCOCC2)c(F)c1 918803885 LYNNOZCVWNUCCN-UHFFFAOYSA-N 459.499 2.180 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(-n2cccn2)cc1 1780971535 RFEKIVMYGRAIFY-CJFMBICVSA-N 477.521 2.120 10 20 JECD O=C(Nc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc1)c1ccco1 1782122381 IIRUXMVHVKDBIB-RUZDIDTESA-N 492.488 2.095 10 20 JECD O=C1CCc2ccc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)cc21 1785509809 GFLOACTUTRDJED-ZWDKTXKMSA-N 478.501 2.089 10 20 JECD Cc1c(F)ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1N 1786949363 RJVAPCVWYDNLGU-BTVCQZFZSA-N 485.512 2.140 10 20 JECD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1)c1ccc(O)cc1 1787540140 ITPPDQSAKOZUFF-YQOCOVSOSA-N 490.560 2.268 10 20 JECD CCc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792217573 IFNCSIPZSSGQQP-WFYCYFGZSA-N 467.522 2.068 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnc4ccccc34)C[C@@H]21 1792219249 MQMXREQGIALCEK-LFMXZXMYSA-N 490.516 2.053 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3cncc(O)c3)CCC2)cc1 1792316215 WOLCVEAYYWYMIL-UHFFFAOYSA-N 456.549 2.395 10 20 JECD CC(C)(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c[nH]1 1794303796 NREXMAUBMRGESK-FEJSZKPUSA-N 477.565 2.308 10 20 JECD CCc1nn(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1Cl 1794424341 IODSLGGLISXCBO-DPIQGUFMSA-N 483.352 2.218 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(F)CCCC=C1F)C2)C1=NN(c2ccccc2)C(=O)C1 1796482745 VDVZXIOIEZGVHR-OZGBSPNSSA-N 472.492 2.115 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ncsc12 1798166164 IKDUCEOQVVSUJB-CLLJXQQHSA-N 460.606 2.408 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccoc3C1)C2)c1cc(O)c(O)c(Cl)c1 1799766892 DBIUHMPLTKTJPT-BCEDRHLLSA-N 460.914 2.353 10 20 JECD Cc1ccn(CC(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n1 1804621169 KUXMXVNZLOHYNN-NLFFAJNJSA-N 485.548 2.085 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1805222529 JEKCTINGEAEZGS-HNNXBMFYSA-N 462.547 2.251 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2c(F)cncc2F)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994333 GXLCSAZVEXJWJC-ZUOKHONESA-N 455.421 2.194 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1snnc1C1CC1 1808852932 BMPUGKGNDUCHKX-KUHUBIRLSA-N 466.523 2.250 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cncc2cnccc12 1811301505 XMWAUIKZUGWLCM-QMHKHESXSA-N 470.489 2.464 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cnc[nH]2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803897 OMCCFWPKXTWZSN-VBKZILBWSA-N 455.902 2.432 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)n1ccnn1 1811809475 KSKRSQNDYTVCKU-ZXYWRSMDSA-N 470.917 2.319 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccnc2ncccc12 1812159391 VEUWTIAPOVBLHS-AOMKIAJQSA-N 470.489 2.464 10 20 JECD COCc1oncc1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814164265 WXFKIHOVZLQMGE-VVVOIBFMSA-N 494.504 2.366 10 20 JECD Cn1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c(C(F)F)n1 1818374063 WVQDMOMYBWQDGJ-GFCCVEGCSA-N 497.553 2.247 10 20 JECD CCC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)CCC1 1818869224 DCINDGKAQIDRGW-NSHDSACASA-N 452.627 2.496 10 20 JECD C[C@H](Oc1cccnc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822820091 XOUYMRHHRJFCPQ-XJKSGUPXSA-N 488.595 2.125 10 20 JECD CCN(CC)C[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1831132039 VQCXKVVUXJYSLP-MJGOQNOKSA-N 482.716 2.444 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832218135 FPHQSJUQLNVDOC-AEFFLSMTSA-N 490.651 2.329 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1ccns1 1834053713 DZYOUXXGPODATA-DUXPYHPUSA-N 472.567 2.159 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)cn1)CCO2 1837899540 JYZIZVJREDTJPH-NRFANRHFSA-N 482.320 2.183 10 20 JECD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)n1cccn1 1838111859 UJDWLEKCDGGRDM-LJQANCHMSA-N 492.580 2.236 10 20 JECD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1840895554 XWKROMJGVSFSBV-WZZGFMSNSA-N 482.533 2.077 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)Cc2ccccc2I)C1 1841418186 UHEIDLDZRYCZFH-UHFFFAOYSA-N 493.301 2.157 10 20 JECD CC(C)(C)OC(=O)NCCOCC(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1845154788 XUXLJXWPBQBIJG-UHFFFAOYSA-N 483.949 2.110 10 20 JECD CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CSC1=S 1848096822 FMHPPTXYEZONHU-JYJNAYRXSA-N 498.671 2.132 10 20 JECD CN1CCN(C[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc2)CC1 727842231 SLDGRTHXUOSAJJ-QHCPKHFHSA-N 455.578 2.450 10 20 JECD CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1OC 916676309 GKXXLRKUNATKHO-UHFFFAOYSA-N 463.512 2.167 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnnn3C[C@H]3CCCO3)cc2F)C[C@@H](C)O1 917201492 OTKCVHQHHGQKST-HLLBOEOZSA-N 464.567 2.013 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCNC(=O)c3ccsc3)cc2F)C[C@H](C)O1 918899222 AMVVBGBUYREAGI-HOTGVXAUSA-N 477.558 2.480 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 919699728 ZCOXYUHKNQLYAI-HXUWFJFHSA-N 489.555 2.002 10 20 JECD COc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1F 1777851391 IFQHPKKZZOZVFK-UZUQRXQVSA-N 459.474 2.082 10 20 JECD CCn1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cc1C 1778128088 ZWUZHRRJVHVMEX-ATIYNZHBSA-N 492.580 2.132 10 20 JECD CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1782646895 DMPMDKLFFQQECZ-VWLOTQADSA-N 483.638 2.022 10 20 JECD C[C@]1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)CC=CCC1 1783247077 PYECLKCKFGJRII-URZJWIJPSA-N 465.641 2.107 10 20 JECD COc1ccc(F)cc1C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1785020629 HVUONAQGLHVILL-RUZDIDTESA-N 480.496 2.071 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccc3cc(O)ccc3n1)CCO2 1785505424 HUIRWBNCEKLLKG-VYRVQILBSA-N 491.500 2.214 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccc2c(c1)OCO2 1787810667 NDQZLRXJMJDHOL-KPHUOKFYSA-N 474.897 2.387 10 20 JECD Cc1cccc(-c2ncccc2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)c1 1796012717 JUYAQWAGYLAFKP-BBIADKPPSA-N 474.517 2.380 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(-c2ccccc2Cl)[nH]n1 1798682944 QECAAKOVIMAKSZ-GFENJXEQSA-N 483.912 2.053 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccccc13)C2)c1cc(O)c(O)c(Cl)c1 1799769388 IXQJWTLVXMVQPL-IVWMJMPLSA-N 456.886 2.145 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)[C@@H]1COc2ccccc2O1 1804199067 ZMJSURHXOYBVQS-GRWTVWFQSA-N 476.489 2.047 10 20 JECD COC(=O)N[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1)c1ccccc1 1805290448 PVPWOYGCYHJINY-OAQYLSRUSA-N 482.537 2.435 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(-n3cccn3)nc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995791 UTGUCCLGJOMRSL-GAJHUEQPSA-N 485.504 2.102 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC2(CCCN(C(=O)C3CCOCC3)C2)CC1 1809367559 PTMITPUEVPCZIM-UHFFFAOYSA-N 452.555 2.437 10 20 JECD O=C1Cc2cccc(C(=O)N3CCC4(CCCN(C(=O)c5cc(O)nc(O)c5)C4)CC3)c2N1 1810554153 DONGVYAWUZCBJF-UHFFFAOYSA-N 450.495 2.146 10 20 JECD CC(C)n1nccc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810890746 MKZLUIDZEMHTFO-KKSFZXQISA-N 450.499 2.299 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccc(O)nc1 1811465899 RKUSHDJPFTUMIJ-VZUGXPBKSA-N 476.489 2.332 10 20 JECD Cc1nn(C)c(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)c1F 1814162311 IJWWIYROURVDCG-QSUDOZCYSA-N 495.511 2.412 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cc(Cl)ccn2)[C@@H]1c1cccnc1 1814189773 YGDRKDKJJFHVAY-AUUYWEPGSA-N 490.010 2.310 10 20 JECD Cn1cccc1C(=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818147996 TYUVUVJYOFBVGG-IBGZPJMESA-N 487.520 2.416 10 20 JECD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1824176733 RGGXAECCSVVHLW-KZNAEPCWSA-N 495.667 2.056 10 20 JECD CC(C)c1nc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)co1 1828240572 XEOSEKPNIXRLDT-JTQLQIEISA-N 479.609 2.341 10 20 JECD CCc1noc(C)c1C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828244722 OSZRRMLSWTZQMD-JTQLQIEISA-N 479.609 2.088 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cncnc4)CCO3)C2)cc1 1833124989 CZKDSHNCYXFGSK-MHZLTWQESA-N 489.576 2.197 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348303 MBDLRTUIMNQXNY-IDISGSTGSA-N 496.608 2.031 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2ncn(-c3cccc(F)c3)n2)C1 1842170078 RPXQQSRONUQHMI-SOFGYWHQSA-N 479.468 2.054 10 20 JECD CCOC(=O)c1c(CCC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c[nH]c1C 1847034225 FTKNDXDQFPVNBY-UXBLZVDNSA-N 497.548 2.466 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncc(Cl)cc1Cl 1847205938 HDWNYTCUZHDMSZ-RYUDHWBXSA-N 459.380 2.064 10 20 JECD C[C@H](OC(=O)CNC(=O)c1ccc(O)cc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 727542484 TUWHGRKGZCWTJL-AWEZNQCLSA-N 472.453 2.468 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3cccc(NC(=O)CCn4ccnc4)c3)CC2)cc1 742916808 OMZDFROHUHHTAY-UHFFFAOYSA-N 476.581 2.473 10 20 JECD O=C(COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)NCc1ccc(N2CCOCC2)c(F)c1 743120511 ZUNCFNKBEHQWAC-UHFFFAOYSA-N 483.456 2.229 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4F)C3)CC2)cc1 914819318 KZXZLIOHTLXFKB-INIZCTEOSA-N 473.476 2.218 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(-n4cnnn4)c(C)c3)CC2)cc1 915345873 UPJCRSUVSWWFOO-UHFFFAOYSA-N 450.547 2.313 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)cc2)C1 918373347 WQOLQNPPAFUCFP-FQEVSTJZSA-N 484.622 2.078 10 20 JECD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C2CC2)cc1 918457013 QWXYLFJNEZKFLU-UHFFFAOYSA-N 450.539 2.355 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)cc2)C1 918464926 FFRYYBAWVGMNIB-FQEVSTJZSA-N 491.592 2.316 10 20 JECD COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCc3ccc(N4CCSCC4)cc3)cc2)[nH]1 918617019 FGPIEQBTIRWJIZ-UHFFFAOYSA-N 466.563 2.364 10 20 JECD Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)ccc12 918833108 RSVYMDFVJOHXKT-UHFFFAOYSA-N 484.480 2.316 10 20 JECD O=C(COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)NCc1ccc(N2CCOCC2)c(F)c1 919127122 OOISKXRJGHPHNU-UHFFFAOYSA-N 483.456 2.229 10 20 JECD Cc1ccn2c(=O)c(C(=O)OCC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cnc2c1 919152653 PHGHJEZRHFPQKY-IRXDYDNUSA-N 482.512 2.229 10 20 JECD CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 919778722 JDGHRVGROGHXLJ-OAHLLOKOSA-N 464.563 2.255 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)[nH]3)C2)C1 1779354968 XEGRNDHNXQFILY-JOCHJYFZSA-N 489.454 2.270 10 20 JECD O=C(c1c[nH]c2nccc-2c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782002081 QYJYTTWHKPBVSW-QFIPXVFZSA-N 456.886 2.336 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)cc1 1783981137 NQUKOHKDNPFSSB-HSZRJFAPSA-N 492.498 2.216 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3cc[nH]c13)CCO2 1785505376 GNWXQXBOTSNVSC-PIITYICYSA-N 463.490 2.442 10 20 JECD Cc1nnc(CC(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)s1 1792314019 VSPWNCOYVABPAJ-UHFFFAOYSA-N 475.621 2.383 10 20 JECD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc1Cl 1796482483 AIYDZILANUYGAI-GPVSGQMNSA-N 496.951 2.345 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc(Cl)cc1 1798936540 INEJZUWEPWSBOR-VYBCAQGZSA-N 458.898 2.373 10 20 JECD COC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)CC1 1800557327 XYSROBLHMDDVFV-VTYHHJSWSA-N 465.550 2.251 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3ncsc3[nH]2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993958 AQMDADHSYGVYIR-BFUOFWGJSA-N 464.507 2.459 10 20 JECD Cn1ncc2cc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)ccc21 1807996269 PZTSALIIGNVRAT-GAJHUEQPSA-N 472.505 2.408 10 20 JECD CN1CCCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808463560 DAYSRQSZUIJHAR-OPHFCASCSA-N 488.592 2.365 10 20 JECD Cc1nnsc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808646462 GOVYVZVDJKAWEH-LAUBAEHRSA-N 489.561 2.354 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)C(=O)Nc1cccnc1 1810465000 HGBOLBGGSIWYTC-MGPUTAFESA-N 495.923 2.500 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3cccc4c3OCCO4)CC2)C1 1810551428 KSSXQLHKYPYZFP-UHFFFAOYSA-N 453.495 2.423 10 20 JECD CCOC(=O)O[C@H](C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1812368973 VJQHZWIEKLIYLW-GPUHFJCASA-N 499.520 2.479 10 20 JECD O=C(CCn1ccnn1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1813431668 FIFNVKBLUSOSBA-YWZLYKJASA-N 470.917 2.148 10 20 JECD Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)o1 1813513557 LHWZTELNVSORRH-IERDGZPVSA-N 472.592 2.092 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccc(=O)oc2)[C@H]1c1cccnc1 1814162600 NEPZEOQEFGQDRQ-OBPZGGEISA-N 477.473 2.185 10 20 JECD Cc1ccccc1NCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814185950 IWZBWJQEXWTFQC-WZONZLPQSA-N 497.646 2.368 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)n1cccn1 1817366734 CIQLVPYRAXBISI-HUUCEWRRSA-N 477.550 2.306 10 20 JECD COC(=O)C1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)CC1 1818147975 SOGJWNZRRLJHDL-SFHVURJKSA-N 478.509 2.148 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCCCC2=O)[nH]n1 1823475961 MUFVVYPWNXFLMN-VMSUTVGLSA-N 483.525 2.245 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cnn3ncccc23)CC1 1827525502 VCORICNHHVKFLZ-SFHVURJKSA-N 450.499 2.083 10 20 JECD Cn1ccc(=O)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716433 LMBZNYLQQHVQKY-HSZRJFAPSA-N 489.576 2.412 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccnc3c1OCO3)CC2 1828198379 YWDGZAKNUAIIGP-RDNKVPPGSA-N 496.501 2.323 10 20 JECD Cc1ccccc1OCC(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828242894 USYOPBWXQSNPNT-CYBMUJFWSA-N 490.632 2.303 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1ccncc1 1834137001 VRQJBHOLLABNMX-UHFFFAOYSA-N 474.565 2.060 10 20 JECD O=C(Cc1ccc(F)cc1)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1837720858 RRDOPDVPZKGGBK-UHFFFAOYSA-N 493.626 2.227 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)c1F)CCO2 1838999405 GJGXKUSAUQLVHN-JOCHJYFZSA-N 482.867 2.413 10 20 JECD COC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348795 MSLDDOPROHVGHG-BCHFMIIMSA-N 469.582 2.447 10 20 JECD O=C(c1ccnc(C(F)F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431661 GVRXFAUADKXPKR-JOCHJYFZSA-N 497.882 2.468 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1839433283 CXOPKKMKGGMFGR-HSZRJFAPSA-N 486.912 2.011 10 20 JECD CC1(C)C=C(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CN1C(=O)c1ccccc1 1843250911 BUQXUBVZXHVEPN-UHFFFAOYSA-N 476.533 2.171 10 20 JECD COc1ccc(COCC(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1846452692 INYNAXDIDHQBOK-UHFFFAOYSA-N 476.533 2.208 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1ccc(C(F)(F)F)cn1 1848209862 ZFPOYSBXWRQHLT-GJZGRUSLSA-N 486.541 2.095 10 20 JECD COc1ccc(N2CCN(C(=O)CNc3cc(S(=O)(=O)N(C)C)cc(C)c3C)CC2)cc1 105036101 TWXAPGZRTJSCNC-UHFFFAOYSA-N 460.600 2.323 10 20 JECD COc1cccc(CNC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1O 729545765 FHDIAMQSKQQNDJ-UHFFFAOYSA-N 455.920 2.397 10 20 JECD CSC[C@@H](C)C(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 731389647 CSGNDPIDGQSZNY-GGNJANJASA-N 482.605 2.275 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3ccc(N4CCNC(=O)C4)c(Cl)c3)CC2)cc1 743299571 SJRJVDCNKLFFJF-UHFFFAOYSA-N 487.004 2.229 10 20 JECD CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)c(Cl)c3)ccc21 747017915 SHVJEJORJCDAFS-UHFFFAOYSA-N 470.957 2.450 10 20 JECD Cc1nn(C)c(=O)c(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1C 878587716 WNCLJKPPEZVAAT-AWEZNQCLSA-N 459.458 2.357 10 20 JECD Cc1cc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)n([C@@H]2CCS(=O)(=O)C2)n1 913128646 DGRJTMTZOYAONP-CYBMUJFWSA-N 494.485 2.487 10 20 JECD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 915731931 HOMRETPCQRZAMP-UHFFFAOYSA-N 458.584 2.491 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCCS(=O)(=O)Cc3ccccc3)cc2)C1 918118358 ZMSMGUVXBJISJC-OAQYLSRUSA-N 472.611 2.193 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C[C@@H](NC(N)=O)c3ccccc3)cc2F)C[C@@H](C)O1 918927914 JZFSAVUZUAAPAB-LLGFUMIMSA-N 486.544 2.398 10 20 JECD CNC(=O)c1ccc(CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919785231 WFHILUCPMNYLFE-UHFFFAOYSA-N 477.544 2.301 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1 920636198 QHBZKKMZYQGTCF-UHFFFAOYSA-N 499.427 2.159 10 20 JECD COc1ccc([C@H](NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)C(C)C)cc1 920636405 UDCPDHRZHXMABL-HXUWFJFHSA-N 450.513 2.443 10 20 JECD CCN(CC)S(=O)(=O)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1251440255 JSTROAZJARVVSN-UKTHLTGXSA-N 492.442 2.353 10 20 JECD Cc1cccc2c(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3cc(O)nc(O)c3)C4)n[nH]c12 1781388832 AZELGECBWZXXSF-MZNJEOGPSA-N 465.510 2.119 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1782008363 ZVOKPNDTFNUBBI-QFIPXVFZSA-N 456.886 2.156 10 20 JECD Cc1[nH]ccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783222550 YRYZFHATLCEPGX-XHDSPZKDSA-N 455.511 2.281 10 20 JECD Cc1ccc(C)c(OCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1 1785010638 MXPQBCYKVJTOPH-ZGONIQJLSA-N 496.560 2.492 10 20 JECD O=C(/C=C/c1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1785384362 WPICMTOZPVTSLO-PBDUMINYSA-N 457.914 2.453 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)CSc1ccccc1)CCO2 1785508304 DQTRBXANQHNZFI-RXVLNYDTSA-N 470.547 2.439 10 20 JECD Cc1cc(C)c(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(C)c1 1793243975 QKFXRMIQCARYJT-CUKIBGOQSA-N 496.560 2.410 10 20 JECD Cc1ccc(-c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)nc(O)c3)c[nH]2)cc1 1796136164 XJBCNYGMELYFCK-BBIADKPPSA-N 462.506 2.313 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccc2ncccc12 1796801642 RXUVSLYEIJBUNE-JLMZWKBBSA-N 475.501 2.268 10 20 JECD CN1CCN(c2ccc(C(=O)N3CCCC4(CCN(C(=O)c5cc(O)nc(O)c5)CC4)C3)cc2)CC1 1804807429 ZYIRMWXKEVVULF-UHFFFAOYSA-N 493.608 2.403 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccn2nccc2c1 1810045218 QIXVQUNJNSOERW-VGOFRKELSA-N 458.478 2.169 10 20 JECD CCCC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814163687 IFGSPPCQNANMDI-RPGSIGHESA-N 496.564 2.222 10 20 JECD Cn1cnc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)c1 1816574311 PBVCKQSGEUYNGF-IBGZPJMESA-N 460.498 2.242 10 20 JECD COc1nc(C)ccc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816725998 QVSZJJQRQGFGAJ-GFCCVEGCSA-N 455.496 2.201 10 20 JECD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821290904 DXWWAFHDRWJUPO-IAQYHMDHSA-N 499.977 2.108 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@H]1[C@H]2SC=C[C@H]21 1821709640 HTNMCUHLBVEBDX-XBPFNRNPSA-N 463.610 2.137 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(=O)oc2)[nH]n1 1823474769 DKASNTJPPOSFEF-WHWKNOJMSA-N 466.450 2.499 10 20 JECD COC(=O)C12CC(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)(C1)C2 1831603605 ZPKZDXZVWYUQDT-XWFFHEKESA-N 457.527 2.069 10 20 JECD CC(C)n1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)n1 1838030396 WPYOPGGKJJSWSQ-UHFFFAOYSA-N 457.531 2.196 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccc3[nH]1)CCO2 1839493551 OYWGXKLKVDAEKL-HSZRJFAPSA-N 486.912 2.011 10 20 JECD COc1ccc(CN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@@H]2CCS(=O)(=O)C2)cc1 27651360 AVSUCAFNXPELAM-JOCHJYFZSA-N 487.622 2.042 10 20 JECD CC[C@H](C)C(=O)N1CCC[C@H](C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 726030241 BATZETCNXPOKEI-HKUYNNGSSA-N 463.550 2.106 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc4nc(C)sc4c3)CC2)cc1 743432749 QBIZHNQWIKGHLO-UHFFFAOYSA-N 453.568 2.490 10 20 JECD Cn1cc(S(=O)(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1C(=O)O 914564615 VHPHWYCCXFLMTJ-GFCCVEGCSA-N 467.569 2.373 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3nn(C)c(=O)c4ccccc34)cc2F)C[C@@H](C)O1 918812559 YEKKURXFRJTQRA-HZPDHXFCSA-N 482.512 2.159 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@]1(F)CCCC=C1F)C2)c1cc(O)nc(O)c1 1777851264 DWYHUKOZEARJPC-NPFVIJTESA-N 451.470 2.366 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)Cc3c[nH]c4ccccc34)C2)C1 1781014169 UHNJOMWLXDWWGK-AQBQYSGMSA-N 477.517 2.371 10 20 JECD O=C(Cc1ccc(F)cc1F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1781922679 SDZZJLMHIVCPCZ-WZONZLPQSA-N 461.465 2.141 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3ccnc4c(O)cccc34)C2)C1 1782510411 GNSRPFDJIWLEFH-MXDXTTGUSA-N 491.500 2.214 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccnc(C(F)F)c1 1785526285 QGRAZIFOXQJASJ-GMFVMRAESA-N 489.475 2.443 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)C1(c3cccc(Cl)c3)CC1)CCO2 1785541396 ZDPHUFJXVWYXCJ-OAQYLSRUSA-N 494.038 2.062 10 20 JECD Cc1cccc(C)c1SCC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785541694 YEHOYUHZMQKUMN-QFIPXVFZSA-N 493.676 2.086 10 20 JECD COc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1 1789537271 QVVNYZBUJCCUFW-HARLFGEKSA-N 476.533 2.081 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccnc1 1795238521 GOVLJUWCXCFGIP-CIAFKFPVSA-N 496.612 2.240 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799766883 CFNPMNCGADXANW-FRQROOTJSA-N 497.976 2.115 10 20 JECD C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2)Oc1ccccc1 1801455121 ONCMBFBFZYBVPO-NXOAAHMSSA-N 461.609 2.343 10 20 JECD Cc1cnc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cn1 1805551633 CJYDOXSOEHMQLX-YADARESESA-N 483.532 2.293 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1cccc(O)n1 1805670765 HOBPWSLTLXWCQQ-KOSHJBKYSA-N 484.516 2.295 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cccc(O)n1 1805678226 LDYVMBPAWARDMV-XFKNCTKQSA-N 476.489 2.332 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)[C@H]1CNc2ccccc21 1807177811 IKILEUGAJYDBDH-ZJBJCVSYSA-N 495.630 2.157 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1nc2ccccc2[nH]1 1809042532 XEVHIKMTHOMFHB-YCRPNKLZSA-N 458.478 2.398 10 20 JECD C[C@H](Cn1cncn1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811806300 JYRLRMQVVDILJL-IIMJZQEZSA-N 484.944 2.394 10 20 JECD COc1cccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1814190041 PDVVOUSJYJAZMQ-UTKZUKDTSA-N 484.603 2.270 10 20 JECD O=C(COc1cc(Cl)ccn1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816726463 WOGWTCWDECMGDZ-GFCCVEGCSA-N 475.914 2.303 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(CO)c(F)c1)CC2)c1cc(O)nc(O)c1 1816728114 JANGPTXOMAWNEV-ZDUSSCGKSA-N 458.471 2.120 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc(CO)c(F)c1 1823326619 MJIDKMNUYDDUHE-INIZCTEOSA-N 491.570 2.207 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1nc3ncccn3n1)CC2)c1cc(O)c(O)c(Cl)c1 1823711320 ZTJQTLIAGLGRJJ-JTQLQIEISA-N 485.913 2.185 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)COc2ccc(O)cc2)CC1 1824006785 FCNAXKQXSDPOQE-IBGZPJMESA-N 491.635 2.251 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3ncsc3[nH]1)CC2 1828244677 NQHXFQXPFHQWDO-QMMMGPOBSA-N 492.633 2.167 10 20 JECD C[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)O1 1828407853 DVJDZRUJYJLHJP-HYVNUMGLSA-N 453.630 2.034 10 20 JECD C[C@@](O)(CC(=O)O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1831864468 JDBCFVIXUSIZPM-RLWLMLJZSA-N 498.580 2.015 10 20 JECD O=C(c1ccc(O)nn1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876233 GNCYQBJQJGPDMB-YXOJNZSOSA-N 468.510 2.246 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccsc1)CCO2 1833968318 XJVJGDVBUCPCQF-HXUWFJFHSA-N 452.916 2.197 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C3CC3)cc1)CCO2 1839441321 OQQRIKJLGDGBQD-LNYWEAQCSA-N 494.544 2.464 10 20 JECD CN1CCC[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)C1 1843331237 ALGUQUTXIFUMDE-IFMALSPDSA-N 499.656 2.250 10 20 JECD O=C(c1n[nH]c(C2CC2)c1F)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441217 FMDGIWSGQKTFAC-UHFFFAOYSA-N 450.474 2.036 10 20 JECD COc1ccc2c(c1)CC[C@H](CC(=O)N1CCCC13CN(C(=O)CN1C(=O)CSC1=S)C3)C2 1843898436 UHQHKQQKALJJLG-INIZCTEOSA-N 487.647 2.254 10 20 JECD C[C@H](N[C@H](C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1)C1CC1)c1ccccc1 1847055122 FZFRCAPNEDCVCI-KKSFZXQISA-N 486.663 2.180 10 20 JECD Cc1cc(Br)c(N)cc1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056919 VFDBJOFQGXOSJL-UHFFFAOYSA-N 497.440 2.017 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3CC(=O)N(Cc4ccc(C)cc4)C3)CC2)cc1 23474006 PNPUCLKOODGONS-NRFANRHFSA-N 465.550 2.244 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(C(=O)NC(C)C)cc3)nnc2n1 108885532 NQPYUHPJJIRRGR-UHFFFAOYSA-N 457.564 2.252 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)nc12 728315860 GCUUUXMEUJDFPI-UHFFFAOYSA-N 467.887 2.172 10 20 JECD CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 728837720 XXEAHWUQXOMDRL-UHFFFAOYSA-N 462.480 2.393 10 20 JECD COC(=O)[C@H](C)NC(=O)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)c([N+](=O)[O-])c1 917087144 SMMJXTVEHZNXMX-AWEZNQCLSA-N 460.462 2.474 10 20 JECD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(N4CCCC4)c3)c2)CC1 917697727 LFRBMOQQOFNOMS-UHFFFAOYSA-N 456.568 2.392 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)N3CCN(c4ncnc5c4cnn5C)CC3)cc2F)C[C@H](C)O1 918223223 YMGVCIDQZQCNQM-IRXDYDNUSA-N 482.564 2.148 10 20 JECD CC(C)(C)OC(=O)N1CCC(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 919003607 JKUPUUREZVFCDU-UHFFFAOYSA-N 479.549 2.469 10 20 JECD Cc1cc(C)cc(N2CC[C@@H](C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)C2=O)c1 919749897 DYFPJOJFIGFTGW-QFIPXVFZSA-N 455.580 2.208 10 20 JECD Cc1c(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cccc1[N+](=O)[O-] 919799385 AEJIOXKTHWIWKA-UHFFFAOYSA-N 493.499 2.414 10 20 JECD CN(C)S(=O)(=O)c1cccc(NC(=S)NNc2ccccc2S(=O)(=O)NC(C)(C)C)c1 920074940 QTEOIZIFUBCHEY-UHFFFAOYSA-N 485.657 2.327 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CCS(=O)(=O)c3ccccc3)cc2F)C[C@@H](C)O1 1318012118 GAXMPNXUFMNLPG-QZTJIDSGSA-N 492.569 2.463 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3onc4ccccc34)C2)C1 1782344736 ACZHYWDSYDSFHY-RUZDIDTESA-N 473.489 2.064 10 20 JECD CC(C)(C)c1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c[nH]1 1783245322 RXCLBDOWAROBQD-UZUQRXQVSA-N 492.667 2.300 10 20 JECD Cc1cc2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)[nH]c2cc1C 1785506613 AVBCEAOAKZWXDC-CKUSHTOWSA-N 492.532 2.453 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)CCc1ccc(F)cc1)CCO2 1785509819 ADXWHNZNJVVRSK-WHTWLKBESA-N 470.497 2.418 10 20 JECD CO[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccccc1 1786465132 KVFUECCXCBHPIU-YALMDMJRSA-N 490.560 2.147 10 20 JECD CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)c(F)c1 1787294229 LPMGFGXMRPXTRY-DCPHZVHLSA-N 473.501 2.326 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1793865675 DCISIBYTFNYHDA-XNZHWBCHSA-N 487.553 2.464 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCNC(=O)c1ccc[nH]1)c1cc(O)c(O)c(Cl)c1 1794307101 OCJAWEIGIPBLGA-QDMKHBRRSA-N 460.918 2.151 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796602572 QBLUZISTFOVMAJ-RYNBEVSTSA-N 486.569 2.392 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2ccco2)C3)cc1 1799620523 NTQNXYHDXSTLGC-GQEURGSBSA-N 490.560 2.320 10 20 JECD COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1804291692 UJAGPEUJGJJIMH-WUCQSGCMSA-N 472.538 2.434 10 20 JECD Nc1ncc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)s1 1807271949 HEQTXBIXGGNTLX-KKSFZXQISA-N 489.561 2.233 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992216 MBUGZQGZYUDIIG-YJYMSZOUSA-N 453.411 2.022 10 20 JECD CC(=O)C[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813008853 FGKQDSUCQHHPQZ-REIDKSKDSA-N 475.549 2.496 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@H]2CCCCO2)[C@H]1c1cccnc1 1814162685 VNGCVZFWCDKVEC-WCGQXLBRSA-N 467.522 2.487 10 20 JECD CNc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1814186850 YRCIGGYPTVCYEV-LAUBAEHRSA-N 483.619 2.303 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CC[C@@H](N)C(N)=O)sc3C2)cc1 1815067085 UPCVDYCPQXVIQL-PKOBYXMFSA-N 494.621 2.369 10 20 JECD CC(=O)NCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815342119 PXUZRQJAWOZLBB-FQEVSTJZSA-N 493.568 2.357 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3nccnc3c1)CC2)c1cc(O)nc(O)c1 1816724743 FTTOKSREONIACP-ZDUSSCGKSA-N 462.491 2.432 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3c1OCCO3)CC2)c1cc(O)nc(O)c1 1816725168 LNTBREIQIHAXCR-LBPRGKRZSA-N 468.491 2.260 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccc(CO)o3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1820529707 RCSAJXNLISRYAB-CYBMUJFWSA-N 479.518 2.247 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821291743 CEWGXTAZIMHMKJ-NHYWBVRUSA-N 461.906 2.471 10 20 JECD CN1CCCC[C@@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1822600831 MGRPOAOMDVIQFM-CAQACHJTSA-N 472.567 2.370 10 20 JECD CCc1[nH]nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1F 1832896846 RONHBUHABHKJOQ-HNNXBMFYSA-N 481.619 2.205 10 20 JECD COc1c(Cl)ccnc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988920 TVKXQCMZTRQFII-UHFFFAOYSA-N 489.960 2.049 10 20 JECD CC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835132845 SCQJLFCICCIQGJ-UHFFFAOYSA-N 461.513 2.006 10 20 JECD O=C(/C=C/c1cc2ccccc2o1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836418503 YBPPKNHTOGDCDN-GJCNFQEQSA-N 479.489 2.022 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3ccnc(Cl)c3)CC2)CC1 1837473684 YTCSPOQIHCWBAM-UHFFFAOYSA-N 497.042 2.208 10 20 JECD CCN(C)[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838110377 DIJUEJOGTNNCNS-LJQANCHMSA-N 483.613 2.118 10 20 JECD CCC1(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)CCC1 1838295113 DPDQEVIKLDGVBI-UHFFFAOYSA-N 467.657 2.426 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3scnc3C3CC3)C2)C1 1839431585 AIVYYEZPJBIKMU-JOCHJYFZSA-N 493.969 2.469 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1ncccn1)C2 1843330634 JRWJFRSESVWKCP-LJQANCHMSA-N 480.569 2.012 10 20 JECD O=C(CC(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)Nc1ccc(F)cc1 1844991433 NHLBYBAOHPDGSE-UHFFFAOYSA-N 477.496 2.151 10 20 JECD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1847014805 ULDCMMJVQVKLKV-LJQANCHMSA-N 489.931 2.455 10 20 JECD CNS(=O)(=O)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)ccc1OC 109702444 ABECLPBMERQOHJ-HXUWFJFHSA-N 461.584 2.491 10 20 JECD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=S)NCc2ccc(S(N)(=O)=O)cc2)cc1 726446315 YEKUIGGTFVNQRE-HXUWFJFHSA-N 462.641 2.456 10 20 JECD CN(Cc1nccn1CC(F)(F)F)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 729598803 KPQVGDMSWDFAPT-MRXNPFEDSA-N 452.481 2.489 10 20 JECD Cc1nc(COc2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2)no1 731126064 QQYZOHDPOVLDDA-UHFFFAOYSA-N 479.537 2.421 10 20 JECD CCCC(=O)N1CCC[C@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 748377997 UDHOQEGHIXWZLF-FQEVSTJZSA-N 475.567 2.259 10 20 JECD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 915269410 YDHNCESZWSEYDX-KRWDZBQOSA-N 454.570 2.012 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 917707625 QUXUYASLHIREFC-LJQANCHMSA-N 461.559 2.379 10 20 JECD COc1ccccc1N1C[C@@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1=O 917831825 AWKJIASWFGTFKK-OALUTQOASA-N 450.539 2.066 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 918440388 QSWNMPNTZOTFEX-UHFFFAOYSA-N 468.529 2.278 10 20 JECD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(N2CCOCC2)cc1 919766610 LCJVRWUFZQVFQK-HXUWFJFHSA-N 481.615 2.379 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(N4CCOCC4)cc3)cc2)C1 919792326 XAJSUGCPPCVPAY-OAQYLSRUSA-N 451.571 2.224 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H](C)OC[C@H]2CCCO2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 921096099 OZMQEBPLFHHMHX-SJLPKXTDSA-N 464.540 2.052 10 20 JECD Cc1nc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)no1 1781750406 GMNCRZYDIMCKBX-VWLOTQADSA-N 463.538 2.472 10 20 JECD Cc1ccccc1CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1781874255 WWCHXYUKXFETBZ-NTKDMRAZSA-N 489.663 2.302 10 20 JECD O=C(C[C@H]1COc2ccccc2O1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004498 YAKMMEQJDDAMPD-FYSMJZIKSA-N 488.924 2.425 10 20 JECD O=C(/C=C/c1cnc[nH]1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1782431383 FMJCENAQEALUBD-SRIRNZLBSA-N 460.918 2.315 10 20 JECD CCOc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c1 1783246233 XLUNTENBZHJSOK-WZONZLPQSA-N 491.635 2.073 10 20 JECD Cc1ncc(/C=C/C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)s1 1784689082 QMPQYTWKGWRFCX-BTAFLDDYSA-N 471.535 2.125 10 20 JECD Cn1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(C(F)(F)F)c1 1785505934 SSYRHYMNMRYBRY-YXMLYAQVSA-N 495.454 2.318 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC1(c2ccc(NC(=O)CN3CCOC3=O)cc2)CCC1 1786250319 UNASYSKAJIIHEE-YCRREMRBSA-N 467.478 2.403 10 20 JECD CCc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787537338 OUIQHXJJJPDSNJ-NYDSKATKSA-N 475.549 2.030 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1OCCc2ccccc21 1793491729 OGMXTIWMGXGUAX-ZMMAXQRCSA-N 473.620 2.189 10 20 JECD CC(=O)N/C(C)=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799622594 USFYZQILPISRRH-RXIBNGGZSA-N 464.566 2.337 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccnc2c(O)cccc12 1804336218 KQLVPASXCUCVIV-BTTYYORXSA-N 470.576 2.053 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1804350521 SXSHMGXSRIVLIJ-BZNRXQDOSA-N 487.560 2.236 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnn3cccc(F)c23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001309 UMXSJJJKVGDBIX-BTYIYWSLSA-N 476.468 2.308 10 20 JECD CCN(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814167144 YQTUMZYDGYCBPX-GYNLSJJSSA-N 468.554 2.258 10 20 JECD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)C1(O)CCC1 1817357070 KUJVICHZTIFCPG-LSDHHAIUSA-N 481.578 2.399 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)sc2C1)c1cc(O)nc(O)c1 1825595549 DIHKSXOOICRRKV-XYWAVCLCSA-N 491.529 2.085 10 20 JECD Cc1ccc(O)c(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1 1828246912 IHDSUKYIKXLCBA-LLVKDONJSA-N 476.605 2.243 10 20 JECD Cc1c[nH]c(C)c1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1830901488 LPQQAWAWHVVOJQ-XMMPIXPASA-N 491.972 2.399 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(Cl)c1)CCO2 1834184093 GUFUOICXJFRHPD-NRFANRHFSA-N 482.320 2.183 10 20 JECD CC(C)(F)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835132659 BFGMETWKJNESPX-UHFFFAOYSA-N 457.550 2.099 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)c3cc(=O)cco3)CC2)CC1 1837593307 SRBXRXSKCRFFIV-DUXPYHPUSA-N 484.505 2.082 10 20 JECD Cc1cccc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1839368063 DEDNXIULXRDGCY-HHHXNRCGSA-N 490.560 2.166 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)C(F)(F)C1 1843250544 KEQNWFXRKPWARA-OAHLLOKOSA-N 496.511 2.202 10 20 JECD O=C(c1n[nH]c2c(F)cccc12)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441852 RPNJOKFPUDVWNO-UHFFFAOYSA-N 460.469 2.312 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 15141598 ARHMYMJZMNFNLJ-UHFFFAOYSA-N 476.555 2.089 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 36784779 CZNSURATCGJYIM-OAQYLSRUSA-N 489.594 2.025 10 20 JECD COc1cc(/C=C2\SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc2c1OCO2 726626211 BASAZWTZMBXTCI-PXNMLYILSA-N 464.546 2.473 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)c1 729063684 KLSWOLDHGGMFRS-HNNXBMFYSA-N 488.516 2.017 10 20 JECD COC(=O)[C@H](F)C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 814330302 PKTSLQPYAPVGSZ-QGZVFWFLSA-N 498.423 2.053 10 20 JECD CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 917834910 UGTGZCQIKQOEGG-PXNSSMCTSA-N 472.611 2.395 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc4nc5n(c(=O)c4c3)CCC5)cc2F)C[C@@H](C)O1 918286619 JBFBACYPPTYVGL-IYBDPMFKSA-N 493.539 2.350 10 20 JECD O=C(CNC(=O)NCc1ccc(F)cc1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919697903 NUDPFVYGBGCWLK-UHFFFAOYSA-N 495.534 2.197 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NC1CCC2(CC1)OCCO2 919785312 XJKSDCSPOGPDMT-UHFFFAOYSA-N 470.549 2.427 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 920194410 BSLOERZTYIASNF-UHFFFAOYSA-N 474.443 2.378 10 20 JECD CC(C)O[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1779475197 RSVQNBHPZUZJSW-YCEDMPBVSA-N 462.543 2.144 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cc(C(F)(F)F)ccn3)C2)C1 1779664150 IGLKBWJKJXPSPH-YSNSILARSA-N 493.438 2.374 10 20 JECD CC(C)n1nccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1779748235 IYGWRARGUIIIJA-ATIYNZHBSA-N 492.580 2.384 10 20 JECD Cc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1[N+](=O)[O-] 1781308639 PSMCDQPYVBCJHW-NHDFZSDJSA-N 497.504 2.106 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781539997 HJHQOWSSOBHQLG-NRFANRHFSA-N 477.857 2.122 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)[C@H]1C[C@H]1c1ccccc1 1782132043 CXBZARHWPFOWBJ-YBJWPOLQSA-N 487.647 2.164 10 20 JECD COc1c(Cl)ccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785507104 KZCBAXQUSQGLEW-UUCGHWEQSA-N 489.912 2.017 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(F)CCCCC3(F)F)C[C@@H]21)c1cc(O)nc(O)c1 1787292483 YVUAWMKEUITGIK-LTKYSVDLSA-N 457.449 2.004 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](N)c2ccccn2)cc1 1795614181 GADOZWCGTNNNOT-RRJCBXKSSA-N 473.577 2.392 10 20 JECD Cc1cccc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]c12 1796479327 BMSBUDCRUPKBJZ-HBNMSFMJSA-N 485.544 2.472 10 20 JECD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c(C)c1 1796480943 WMLAGAFGPZVSDA-NHKMSHSESA-N 460.534 2.300 10 20 JECD Cc1nc2ccncc2cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1798017941 DQSUIKYMTALADQ-MUJYYYPQSA-N 469.592 2.050 10 20 JECD Cc1ccc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1 1802082231 BBSYIBSKTNRGNO-HCSKGQDESA-N 452.507 2.337 10 20 JECD CC(C)(C)n1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)nn1 1804288805 IRCFNJPDZVSMSF-BEVBHUTCSA-N 455.515 2.115 10 20 JECD COc1cncc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1804485595 UIOROROYJOCPRB-MHECFPHRSA-N 477.521 2.244 10 20 JECD Cc1ccn(CC(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)n1 1807146857 FNJRXCMOGMZYEP-UHFFFAOYSA-N 462.554 2.216 10 20 JECD COc1nn(C)cc1C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)C1 1807989330 PKJLFKKOVNYLQK-FNORWQNLSA-N 470.526 2.104 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc3[nH]ncc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995422 YUXOHVHAWPWUPJ-NYHFZMIOSA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc2[nH]ccc2n1 1809794078 PFOBFTZZJKSBJP-YCRPNKLZSA-N 494.602 2.138 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cc2cnccc2[nH]1 1809993523 OOLROLPVTJDLCT-YCRPNKLZSA-N 494.602 2.138 10 20 JECD Cn1ccc(=O)cc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811806453 NUVTXUAFCWVHPY-QVKFZJNVSA-N 482.924 2.478 10 20 JECD Cc1cccn2ncc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c12 1812269644 CWVNIGGDMADGPZ-SBUREZEXSA-N 472.505 2.477 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)nn1C 1814162371 IRIMYDRSZZKPPR-LFXIQIKPSA-N 477.521 2.273 10 20 JECD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cn1 1814162498 LJCYTYQJIFTKOH-IAADTXTGSA-N 475.505 2.330 10 20 JECD Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)nc1C 1814186464 PLHHGVMQRKUBRY-UWJYYQICSA-N 483.619 2.273 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc2nc[nH]c2c1 1819065194 HDNMLAYTSRLRFU-MRXNPFEDSA-N 483.579 2.452 10 20 JECD Cc1nc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cs1 1823496040 BPFSEKRDFCPQPQ-CQSZACIVSA-N 478.625 2.270 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)CSc1ncccn1)CC2 1828198453 FRNQCEVBKKEDSM-MXPWBENCSA-N 499.574 2.468 10 20 JECD Cc1ccccc1OCC(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828242895 USYOPBWXQSNPNT-ZDUSSCGKSA-N 490.632 2.303 10 20 JECD Cn1ccc(=O)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1829646821 CCTHHKIHIWBLOU-CPSHHHPTSA-N 481.549 2.449 10 20 JECD O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836419122 SSHBLZPFHJGCLP-OAQYLSRUSA-N 499.417 2.035 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1839219548 LLYMYXAOASYWBO-VOIUYBSRSA-N 490.940 2.289 10 20 JECD Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1839313339 ACDZZUFGXYTSSN-CIFMFNLYSA-N 486.496 2.034 10 20 JECD CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)c1ccc(O)cc1 1843248710 GSSTVDOIRIXHEB-HXUWFJFHSA-N 498.536 2.281 10 20 JECD CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1844256957 URGBGMJZTDDIII-INIZCTEOSA-N 460.531 2.099 10 20 JECD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1846965909 NBLSPHYXJXEJRO-DZZUKKPASA-N 475.542 2.323 10 20 JECD Cc1ccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1F 18925912 HNVLZLUXMYXPGJ-UHFFFAOYSA-N 469.520 2.377 10 20 JECD CN1CCN(c2ncccc2CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 195712744 DJVQOVKPMWINMF-UHFFFAOYSA-N 452.603 2.042 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(Cc4ccc5c(c4)OCCO5)CC3)CC2)cc1 742948462 SUSWNWTWYQCPPN-UHFFFAOYSA-N 495.624 2.116 10 20 JECD CCC1(CC)NC(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1=O 916456901 ZBDBUIVAAHTBGK-UHFFFAOYSA-N 456.465 2.269 10 20 JECD Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 917712702 QLGSZBVTDCIFLZ-OKILXGFUSA-N 455.538 2.325 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)cc2)C1 918032315 WMJPEWZLIPDNKF-IBGZPJMESA-N 463.538 2.359 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N[C@H](C)C(=O)NCc3ccccc3)CC2)cc1 919912023 ZQGJOXYOGMKYFA-HXUWFJFHSA-N 453.587 2.211 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 920636746 ZPTKHVRZLVQNDC-UHFFFAOYSA-N 477.373 2.486 10 20 JECD C[C@H](NC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 920920267 KVSLRJRCOSAEJV-CVDCTZTESA-N 451.571 2.138 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cc(O)nc4ccccc34)C2)C1 1777765055 RTYUBUGNMFJXEZ-WHVGEVHXSA-N 491.500 2.214 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1csc(C(F)(F)F)n1)C2)c1cc(O)nc(O)c1 1777851330 WEDXFORAMPCBEU-BFUOFWGJSA-N 486.472 2.409 10 20 JECD CC(C)(C)OC(=O)C(C)(C)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777852691 PLBKAQBZHUOONA-CRICUBBOSA-N 491.585 2.378 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC1CCOCC1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126537 ZGBRJQXZLRUWTF-ATIYNZHBSA-N 482.581 2.110 10 20 JECD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cn1C 1778292769 SMFWLAFUVJXFBR-OOSRFHLNSA-N 469.538 2.291 10 20 JECD CC(=O)O[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)C(C)C 1779209903 BIZMHULGHLAJAI-KKLQWCBXSA-N 482.961 2.466 10 20 JECD C[C@](O)(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)C(F)(F)F 1781119615 QOJPETNMBMINAZ-MDASCCDHSA-N 480.867 2.192 10 20 JECD O=C(CCc1ccccc1Cl)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1786599875 HWKAAVXVGMTWHJ-IEZWGBDMSA-N 459.930 2.372 10 20 JECD O=C(CCNC(=O)c1ccc[nH]1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1786831278 RZBSTWQXHMIMJN-UHFFFAOYSA-N 499.618 2.129 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(C(F)(F)F)CC1)C2)c1cc(O)nc(O)c1 1796136047 KMQYOMCWSUCVMX-RCCCYXHRSA-N 457.449 2.065 10 20 JECD O=C(Cc1cccc(Cl)n1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804699931 MKBPOHIZEDUJCG-OYHNWAKOSA-N 467.913 2.499 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1805527798 BRIYGFQZHHHHID-INIZCTEOSA-N 476.574 2.498 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3c[nH]nc3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993868 MNSJVQPHBFMGDJ-JTSKRJEESA-N 458.478 2.398 10 20 JECD O=C(Cc1ccc(O)cn1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813498675 OIMIRUMLGVOQIJ-CAWKPXHPSA-N 490.516 2.261 10 20 JECD COc1ncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cc1F 1816150519 GRCMDXGDFQOVDM-HNNXBMFYSA-N 456.434 2.378 10 20 JECD CC(C)Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)n(C)n1 1816722508 JTTSKPBVQPGCAC-CYBMUJFWSA-N 470.555 2.421 10 20 JECD O=C(Cc1ccc2c(c1)CCO2)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816729079 QHUYDXZVBLIMEE-OAHLLOKOSA-N 466.519 2.353 10 20 JECD C[C@H](Nc1cccnc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1817323148 LYGKUFFBWHXWIL-SUMWQHHRSA-N 451.487 2.417 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2ON=C(c3ccccc3)O2)[nH]n1)c1cc(O)nc(O)c1 1817846375 ULOHIDKABGQRGJ-WAIKUNEKSA-N 478.465 2.257 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cnn4ccccc34)sc2C1)c1cc(O)nc(O)c1 1818094340 BHPUXRUWSWLFGX-GFCCVEGCSA-N 450.480 2.137 10 20 JECD O=C1Cc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)ccc2N1 1818981089 YCVVSLBHAQWKKP-KRWDZBQOSA-N 462.466 2.330 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)C(F)(F)Cl)[nH]n1 1823499722 VMFURNRHIAZLON-SECBINFHSA-N 451.908 2.094 10 20 JECD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1824176736 RGGXAECCSVVHLW-RCCFBDPRSA-N 495.667 2.056 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(F)c(F)cc3F)CC2)CC1)c1cc(O)nc(O)c1 1834987205 GSJKOLLMWQPRTQ-UHFFFAOYSA-N 478.471 2.409 10 20 JECD COc1ccc2cc(C(=O)NC3CCN(C4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)[nH]c2c1 1835335109 YWSPLRUJVKAOGW-UHFFFAOYSA-N 493.564 2.482 10 20 JECD CC[C@@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1835913735 GTRJOHVWCOMJJV-BVAGGSTKSA-N 468.598 2.162 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1C 1840881410 SUVYRMLKZQVRHD-WHVGEVHXSA-N 482.533 2.204 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cc(Cl)c3nncn3c2)C1 1844227581 SXYSAHBMCJIQOP-HWKANZROSA-N 469.885 2.030 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)C(C)(C)F)C2 1844251810 YTSHLUQKKHQRFI-INIZCTEOSA-N 479.549 2.485 10 20 JECD COc1cncc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1848189107 CMSJMKAADQTQNG-VXKWHMMOSA-N 461.522 2.018 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)nnc2n1 108195988 LZANUXSDDVMLBK-UHFFFAOYSA-N 490.037 2.473 10 20 JECD Cc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 819846172 XJNYLIXNPAPRSW-UHFFFAOYSA-N 478.482 2.213 10 20 JECD CCN(CC)c1ccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 916502718 VKHPBBUNPFDWPW-UHFFFAOYSA-N 451.614 2.474 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCCN(C[C@H]4CCCO4)CC3)cc2F)C[C@@H](C)O1 917052731 MLDBSACXANVNNT-KCZVDYSFSA-N 462.610 2.242 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CN3C(=O)COc4ccc(Cl)cc43)cc2)C1 917834955 VFFBTPGNTQVOKG-MRXNPFEDSA-N 456.930 2.084 10 20 JECD COc1cc(OC)c(OC)cc1CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918118440 SFVDJWJTMHXDLH-QGZVFWFLSA-N 456.543 2.414 10 20 JECD O=C(O)/C=C\c1ccc(N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 918735644 LGIGFFZTFDDZGW-XQRVVYSFSA-N 457.468 2.080 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)cc2F)C[C@@H](C)O1 918976644 LBBLNFJIKSOMLC-CPMLIZHXSA-N 479.574 2.053 10 20 JECD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 919043692 YPDWWGAYPSSRLZ-UHFFFAOYSA-N 460.462 2.110 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)CC2)cc1 920255065 PUMUHFKPAJCRAS-KHPPLWFESA-N 476.533 2.188 10 20 JECD CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)cc1 1318378538 IZJPSZAEOSUEPG-UHFFFAOYSA-N 480.593 2.155 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnn1-c1ccccc1)C2)c1cc(O)nc(O)c1 1777848232 NERFFPZEXCWJEV-CJFMBICVSA-N 477.521 2.120 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1occc1Br 1778184665 MFEMFLARSZIRQB-JLTOFOAXSA-N 480.315 2.290 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)nn1C 1781121432 VRFLNESEJCVEGP-XMSQKQJNSA-N 462.934 2.234 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccnc4ncccc34)C2)C1 1782343229 DCXMRRNUWVAEBD-HSZRJFAPSA-N 468.897 2.452 10 20 JECD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc(OC)c1C 1785177655 CDXJULDMFQQVFY-UJWGQFCKSA-N 498.532 2.286 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)c1ccccc1)CCO2 1785503935 UNZMQUYJHGFBFV-YTYDODPHSA-N 456.470 2.357 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]21)c1cc(O)nc(O)c1 1787295475 XRLFQGBNZYSPBH-JQFCIGGWSA-N 465.428 2.419 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)s3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537236 HMJIDPGPFLMUDB-ZVZYQTTQSA-N 470.526 2.273 10 20 JECD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C[C@@H]21 1788755536 PLYOJBVEZTWULK-NMTNEYKDSA-N 478.593 2.378 10 20 JECD O=C(CCC1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1795035952 CHKPHQGIKNJIBY-NHKMSHSESA-N 452.555 2.339 10 20 JECD COc1ccccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796479513 STOPZQRJINASJZ-ZJZZYZHZSA-N 490.560 2.010 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc3[C@@H]1O)C2)c1cc(O)c(O)c(Cl)c1 1799767136 SAUVOVXWZKRKIF-HIFDQRORSA-N 486.952 2.250 10 20 JECD CC(C)(C)OC(=O)NCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804331329 UPXGVZQSJBOSGM-MUJYYYPQSA-N 498.671 2.180 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1cccc(=O)n1O 1804951784 KCVMNLHSBBYPAE-VLIAUNLRSA-N 484.896 2.179 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)on1 1814190316 WPSFQHUDPUKADQ-MGPUTAFESA-N 487.607 2.373 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(Cl)cnc1O)CC2)c1cc(O)nc(O)c1 1816717476 SVVHWDPLFRVVPL-SNVBAGLBSA-N 461.887 2.243 10 20 JECD N[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1ccccn1 1817332525 DSHGRNJKKCTBPG-OFNKIYASSA-N 486.536 2.290 10 20 JECD COCC1(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)CC1 1817363029 FMBGFIQREAWITJ-CQSZACIVSA-N 467.551 2.275 10 20 JECD CCC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367003 MROVYAQKAYQFJM-QAPCUYQASA-N 496.593 2.153 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)Cc2ccccc2)[nH]n1)c1cc(O)nc(O)c1 1817847173 NEOAFJDBYIATER-QZTJIDSGSA-N 451.483 2.125 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)c3cc4ncccn4n3)sc2C1 1819015694 BIRZEMAJCCYWEQ-MXPWBENCSA-N 492.517 2.242 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H]4C[C@H](O)CN4)sc3C2)cc1 1822616166 MRHMDFUEPDNOMZ-LMNJBCLMSA-N 479.606 2.499 10 20 JECD CN(CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)C(=O)c1ccccc1 1824383094 RQIRRJWUJIAMGM-OAQYLSRUSA-N 480.565 2.498 10 20 JECD Cc1cn2c(=O)c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)cnc2s1 1827427056 CLXJFDAOXRDOTB-GOSISDBHSA-N 497.577 2.418 10 20 JECD O=C(COc1cccnn1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717634 QUODJKHFYHPWMG-JOCHJYFZSA-N 490.564 2.268 10 20 JECD COc1nc(C)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1829414604 DQAWXXCJTFHXQX-GOSISDBHSA-N 490.651 2.492 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876031 FMOKKLUEXNKSTF-MXFAVLBMSA-N 471.554 2.127 10 20 JECD CCOC(=O)O[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899342 FCNMQRNCOIBVTH-HOCLYGCPSA-N 485.628 2.028 10 20 JECD CCOC(CC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)OCC 1832900578 WRGHZPMEDJCMIB-QGZVFWFLSA-N 485.672 2.256 10 20 JECD CCn1nc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c2ccccc21 1834948558 DOSHYZIYWWBBJY-UHFFFAOYSA-N 492.580 2.361 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)C1 1841445145 DSBUJFPQMVJAOJ-FCXRPNKRSA-N 455.423 2.235 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ccc3ncncc3c2)C1 1844090292 BNADDAPGPDBABL-UHFFFAOYSA-N 454.490 2.240 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc(F)c(F)c(Cl)c2)C1 1846867560 BQNMBRXXSUOYOI-UHFFFAOYSA-N 459.927 2.296 10 20 JECD O=C(c1cccnc1-c1ccccc1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054015 CWPDFGSZLMOSNV-UHFFFAOYSA-N 466.588 2.426 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC12CN(C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2 1847056542 QLKJZKGESGNWFP-JOCQHMNTSA-N 463.547 2.419 10 20 JECD O=C1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc(O)c(O)c2O)CN1Cc1cccs1 1848150922 YNTMMKOWBOKHQD-CBIZVPMZSA-N 497.573 2.129 10 20 JECD CS(=O)(=O)Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1 726048419 HYSMSOTXEFNVTI-UHFFFAOYSA-N 467.455 2.395 10 20 JECD CN(C)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1F 746797995 LQPOMYNJPKRYNT-UHFFFAOYSA-N 455.939 2.496 10 20 JECD Cc1cc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(C)n1-c1ccc2c(c1)OCCO2 845930665 ASBHOVREEPSMDX-SEMUBUJISA-N 490.512 2.398 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)OCC(=O)N1CCCC1=O 913363994 VCRFMUNPUJKRLR-MDWZMJQESA-N 483.365 2.343 10 20 JECD C[C@@H]1CN(c2ccccc2NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 920195332 PZTRZOKBFXYBGR-RTBURBONSA-N 452.555 2.392 10 20 JECD COc1ccc2c(c1)CC[C@@H](CC(=O)N1CC[C@@]3(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO3)C2 1778227433 XDUZCRYAGNUBEQ-WGDIFIGCSA-N 481.549 2.140 10 20 JECD Cc1ccc(OC(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)nc1 1780968334 DTPNXXCOSNZFLK-KXZPLDGJSA-N 497.548 2.208 10 20 JECD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1781835904 QYKKOFDNROWVPD-GIFQPEHOSA-N 479.668 2.187 10 20 JECD CN(C)c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)cn1 1783221877 OWZHNTAROAIVDG-DWRUAZSGSA-N 496.564 2.105 10 20 JECD COc1ccccc1CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1783330330 YOFCZMMAMNXSEH-QHCPKHFHSA-N 460.914 2.446 10 20 JECD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccccc1 1785544127 CRGSSGSOZWKMPK-KHGIRQKXSA-N 452.507 2.450 10 20 JECD CC(F)(F)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787537265 KGQVUVLYGVLWLJ-IEZWGBDMSA-N 476.524 2.440 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)[C@@H]1CCC[C@H]2CCCC[C@@H]21 1788215107 KRRXSEBGYZFEAF-JIFZMYKYSA-N 493.695 2.433 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccc4o3)C[C@@H]21 1792218106 QCZVJSKYEOBVJR-CTQSHSCDSA-N 479.489 2.251 10 20 JECD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)nc1 1794091159 JRPGLCCDYCDEMZ-VPTLXERWSA-N 459.930 2.291 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1Cc2ccccc2CN1 1796768587 ZJFZCGSLPAUMJH-ADXQKQJASA-N 463.534 2.169 10 20 JECD Cc1cc(C)n(CC(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n1 1804579341 LXCSWSWLVKPEDT-RLWLMLJZSA-N 499.575 2.394 10 20 JECD CC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1806387974 MYSIZJMKHGYQRG-YADARESESA-N 461.522 2.250 10 20 JECD Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)nc1 1807059767 UFZOQYISTXLCJX-UHFFFAOYSA-N 474.652 2.414 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)[C@@H]3Cc4ccccc4CN3)CC2)C1 1810543386 BPRYXSHNPJEHCU-FQEVSTJZSA-N 450.539 2.052 10 20 JECD COc1cc(CCC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)ccn1 1816720811 AFPZTPGDSZLTCW-CQSZACIVSA-N 469.523 2.212 10 20 JECD Cc1nccc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n1 1817361894 AZFQDCVIILXRGY-AWEZNQCLSA-N 475.534 2.260 10 20 JECD CC(C)n1cnc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)n1 1817684338 XYHCUFGCYRPGOW-CQSZACIVSA-N 492.565 2.334 10 20 JECD Cc1ncncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1820705953 QHSNHBKAPNSDAF-MXPWBENCSA-N 467.507 2.298 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)cncc2F)[nH]n1 1823500222 WYUOKLDXWFRAGE-CYBMUJFWSA-N 480.522 2.249 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccn(C(F)F)n2)[nH]n1 1823500226 WZQCPEOVTIRKJF-GFCCVEGCSA-N 483.526 2.168 10 20 JECD O=C(c1nc(O)n2c1CCCC2)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428576 WWUYHJNZQQMUEE-QGZVFWFLSA-N 469.542 2.278 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)Cc3ccc4c(c3)CCCO4)CC2)CC1)c1cc(O)nc(O)c1 1834987043 BNGXLJPXUPEEKB-UHFFFAOYSA-N 494.592 2.246 10 20 JECD Cc1nscc1C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835134345 GUJUMPAPKCOUBY-UHFFFAOYSA-N 494.621 2.430 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccc2cc[nH]c2c1 1835295729 SVTMWVWKZBGLSS-UHFFFAOYSA-N 463.538 2.473 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cnc(C(F)(F)F)cn3)CC2)CC1 1838017188 WWHVXVUXGAAGBR-UHFFFAOYSA-N 495.458 2.228 10 20 JECD O=C(CS[C@H]1CCCCO1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838029774 IUGISYWZOKXWKS-QFIPXVFZSA-N 479.599 2.365 10 20 JECD COc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)cc1 1838596739 GJEJTORBQXHFTO-UHFFFAOYSA-N 491.635 2.168 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncn4C)C3)C2)cc1 1839348733 JDILUKUPXVBANN-SANMLTNESA-N 477.565 2.211 10 20 JECD CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1839348955 VZTPDOGFJSRXOV-ZPIZUECNSA-N 495.576 2.283 10 20 JECD Cc1cccnc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432231 HNVHYVGGVMLJQI-XMMPIXPASA-N 489.956 2.157 10 20 JECD CCCCC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1839906112 KWQQYUNETLPSLK-DEMXCCBQSA-N 476.570 2.489 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(F)CCCC=C1F)CCO2 1840952872 ZOJPXURBVROQFG-HWGSQVGPSA-N 494.491 2.019 10 20 JECD C[C@H]1Oc2ccc(C(=O)N3CCCC34CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)cc2NC1=O 1844729195 VMNXZXKANUGCLS-MRXNPFEDSA-N 487.516 2.016 10 20 JECD CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846297910 UXRUJGNWUPIXAJ-MRXNPFEDSA-N 460.531 2.003 10 20 JECD CCN(CC)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1F 731346029 OPZWJTOAYYJVAF-UHFFFAOYSA-N 490.601 2.455 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC(=O)N(c4cc(C)ccc4OC)C3)CC2)cc1 742927292 MQQHTBXNRMBNPS-HXUWFJFHSA-N 466.582 2.304 10 20 JECD COCCN1C(=O)/C(=C/NNc2ncnc3scc(-c4ccc(C)cc4)c23)C(=O)NC1=S 814318142 BUDDMWLFMDFWIR-NTEUORMPSA-N 468.564 2.357 10 20 JECD CNC(=O)c1cc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cn1C 914688920 MLLHKOYXJHTHCZ-UHFFFAOYSA-N 484.506 2.265 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCc3cccc(C(=O)N(C)C)c3)CC2)cc1 916197432 ZMFFBULJZXBZLI-UHFFFAOYSA-N 453.587 2.409 10 20 JECD O=C(N[C@@H]1CCN2CCC[C@@H]2C1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 917291994 GMORUVACOLNBCD-GDBMZVCRSA-N 460.512 2.458 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H](CN3CCOCC3)c3ccccc3)cc2)C1 918118879 VSBRQOXISOUEHA-VWNXMTODSA-N 465.598 2.261 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 918138806 VPUWNYJIJFFOSV-LJQANCHMSA-N 477.558 2.050 10 20 JECD CCCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 919971811 YHIVZDLEMCNFKE-UHFFFAOYSA-N 455.596 2.245 10 20 JECD COCCOC(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 920320024 LCNKASCQJFRECB-UHFFFAOYSA-N 488.516 2.237 10 20 JECD COC(=O)c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c(C)c1 1783081569 GYMGRBLDMGNKOE-KBMIEXCESA-N 483.521 2.029 10 20 JECD Cc1ncc(/C=C/C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)s1 1785510193 FWMFHFDGQPHJLT-GWQVUSPRSA-N 471.535 2.125 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)C[C@@H]21)c1cc(O)nc(O)c1 1787292414 OYCZXZAFLOPPFP-UYYRZJCPSA-N 455.486 2.029 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc2scnc2c1 1788397695 CAFQIDKDDQFQTG-QRTARXTBSA-N 454.508 2.010 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@@H]21 1792219454 WITJYOHYVZSEJZ-OQEHJRJISA-N 462.886 2.357 10 20 JECD CC(C)[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1)c1ccccc1 1792237415 IWTBIECGZYTGOH-ZVVDCOBXSA-N 489.663 2.266 10 20 JECD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[S@](=O)c1ccccc1 1800216391 POHNTSGBJUDNQF-DTMRKAIASA-N 492.981 2.151 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804291598 SAMIRPARAUJOBH-FJXIAYRNSA-N 475.542 2.370 10 20 JECD CN1CCC[C@H]1C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1806414057 MJQBTEXZUOQYCR-NRFANRHFSA-N 451.571 2.105 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1noc2c1CCCC2 1808031248 OBTQEZCBODFLEV-VFNWGFHPSA-N 499.618 2.128 10 20 JECD Cc1nccc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1808767579 GZFGBAOMWZQDDU-NTPDFONASA-N 475.505 2.330 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(-n2ccnc2)ccn1 1811583074 SZZBMRLIRDYEKW-SBUREZEXSA-N 485.504 2.102 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)n1cccn1 1813423701 YKTYMIKBBIANAK-WWEVIYMKSA-N 485.548 2.338 10 20 JECD CC(=O)Nc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1813891071 ZDNXMAZTANLVJZ-WZONZLPQSA-N 475.505 2.480 10 20 JECD CCc1noc(C)c1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814188936 GAMHJFSGFNVPQE-FOIQADDNSA-N 487.607 2.120 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cncs1 1816583994 AAVTWQZZASBDTG-LLVKDONJSA-N 450.571 2.032 10 20 JECD CCc1noc(C)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1819843551 DWJPSURHXQBRNH-AWEZNQCLSA-N 476.584 2.435 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)[C@H]3CC=CCC3)sc2C1 1822798987 KDBVFJJCXODGMD-RYUDHWBXSA-N 450.611 2.272 10 20 JECD CCc1oncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823495894 DYBICTDAIVXXKZ-ZDUSSCGKSA-N 462.557 2.126 10 20 JECD Cc1nc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)no1 1823708409 YCPZOLQAHPPMQL-JTQLQIEISA-N 463.903 2.368 10 20 JECD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)no1 1832929070 DCNCBBLUXLIBIC-AREMUKBSSA-N 493.564 2.098 10 20 JECD CC[C@H](C)[C@@H](N)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1834687242 MOBCRJRKKQBBIG-VBKZILBWSA-N 467.010 2.310 10 20 JECD CC1=C(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)CCO1 1835132739 JBCZILFHEMMHGO-UHFFFAOYSA-N 479.581 2.045 10 20 JECD O=C(c1c[nH]c(-c2ccc(F)cc2)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417783 MIHSMBJSWZCCCN-VWLOTQADSA-N 496.495 2.011 10 20 JECD Cc1nc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)sc1C 1838029855 LOCMGVGLCZVLSN-UHFFFAOYSA-N 460.556 2.492 10 20 JECD Cn1ncc2cc(C(=O)N3CCC(OC4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)ccc21 1838031488 HQAIETAIMMIRGR-UHFFFAOYSA-N 479.537 2.306 10 20 JECD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)c1ccc(O)cc1 1839170865 CCKIAHJFKRSHNK-OWJWWREXSA-N 490.940 2.331 10 20 JECD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc(C)c1O 1840676339 OZQLJQWZIZYYFB-XMMPIXPASA-N 490.940 2.457 10 20 JECD Cc1c(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)ccc2c1OCCO2 1847039057 OBNKCZSBZOWFPU-XBXARRHUSA-N 466.490 2.413 10 20 JECD CCOc1cc(/C=C2\SC(=S)N(CC(N)=O)C2=O)ccc1OCCn1c([N+](=O)[O-])cnc1C 727176549 VGAKSEACRIOKSP-SXGWCWSVSA-N 491.551 2.264 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)cc2)C1 730480925 FYYZBUNKWLJIHQ-DHIUTWEWSA-N 498.649 2.247 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 730911737 OBGGEELFJJVJME-FQEVSTJZSA-N 457.502 2.475 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)CC2)cc1 743432819 SZMJLVZLKSYVKH-XMMPIXPASA-N 482.581 2.130 10 20 JECD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NCc1ccc(N2CCOCC2)cc1 745267993 WTAZUGCHOHGKIH-UHFFFAOYSA-N 454.527 2.326 10 20 JECD CC(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 917834360 JGPMKFOGJRKXLV-LJQANCHMSA-N 458.584 2.005 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3nc(N4CCCC4)ncc3Cl)CC2)cc1 919347515 UEDASMSRFJDWKY-UHFFFAOYSA-N 459.934 2.244 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 919968606 JMEWJPHMRHGDKP-HSZRJFAPSA-N 487.622 2.283 10 20 JECD C[C@@H](NS(=O)(=O)c1ccc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)cc1)[C@H]1C[C@H]2CC[C@H]1C2 920980687 WEQGUFHHHDQBTO-LDDOYCOJSA-N 460.556 2.136 10 20 JECD Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)n1 1785114053 GVHSUEAVGHDXPG-APTRMMRNSA-N 489.576 2.095 10 20 JECD O=C(CCc1ccc(O)nn1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1791033373 MVJFWDPXCWXWEC-UHFFFAOYSA-N 485.591 2.109 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1-c1ccccc1)C2)c1cc(O)nc(O)c1 1796137820 QDYDIARVDBLIFF-OPMZPASUSA-N 460.490 2.072 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1nnc(-c2ccccc2)o1 1797821802 TWSPNIXQXZYEBG-JLVBRIDZSA-N 484.896 2.318 10 20 JECD Cc1cccc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802079828 ZUNBHSJTQYEARQ-JWMIDBARSA-N 452.507 2.337 10 20 JECD Cc1nn(C)cc1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1803828995 DGJSMRIUDDSLTO-AEVOMHCASA-N 477.521 2.273 10 20 JECD CN1N=C(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)CCC1=O 1804125410 WINJHGLNWGAPMH-XOBRGWDASA-N 485.928 2.074 10 20 JECD Cc1cccnc1CCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1804405587 KTJQLYXKOPTBMY-MBSDFSHPSA-N 497.646 2.284 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)C1CCOCC1 1806704404 CUNSPZHGSDYCHS-YCUVPZCXSA-N 467.522 2.344 10 20 JECD O=C(CCC(F)(F)F)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1806834037 ILEFVDFGPKTXFD-SUMWQHHRSA-N 474.530 2.290 10 20 JECD COc1cncc(CCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1807994230 TZRWFAQTXXLPPL-HOYKHHGWSA-N 477.521 2.244 10 20 JECD Cn1cc(CCC(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cn1 1808467936 JROCJRBRNVAIOW-HFZDXXHNSA-N 499.575 2.247 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)/C=C/c2ccoc2)[C@H]1c1cccnc1 1814184747 FIIAXZVZPXWDRV-RSMHPUSESA-N 470.576 2.254 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cn1 1814185160 LOKGDJYYXJUDLU-XXBNENTESA-N 497.646 2.284 10 20 JECD COc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1O 1816720410 QVFAFFNPAWPRKD-CYBMUJFWSA-N 470.507 2.132 10 20 JECD O=C(COc1ccc(F)cc1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722458 HQIGZSVRKUVHTN-ZDUSSCGKSA-N 458.471 2.393 10 20 JECD O=C(CN1CCCCC1)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362678 TXGMRHHMHXIIJF-MRXNPFEDSA-N 480.594 2.334 10 20 JECD CC(=O)C[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367392 ZMUBBPFQLQQPLW-DZGCQCFKSA-N 467.551 2.463 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc(O)ccc1F 1821080697 ABFJNIDDYGOCMU-OAHLLOKOSA-N 477.543 2.421 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cnc2O)[nH]n1 1823496572 KQUYGDKQVJVEJD-CYBMUJFWSA-N 494.986 2.330 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3onc4ccccc34)sc2C1 1824110954 UEJGFYJXSDWEDX-JTQLQIEISA-N 487.588 2.370 10 20 JECD CNCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714982 FKLWKZPVGIOKMZ-JOCHJYFZSA-N 453.587 2.399 10 20 JECD CCc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cn1 1828239726 FGFMDUQOMHCJTK-CYBMUJFWSA-N 475.621 2.187 10 20 JECD O=C(Cc1cnc[nH]1)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838072555 HORMOSQNQUIHQT-UHFFFAOYSA-N 462.934 2.329 10 20 JECD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)n1ccnn1 1838687956 UHXZWKREGVIATB-CQSZACIVSA-N 477.949 2.216 10 20 JECD Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)cccc1C(F)(F)F 1840762054 YXRPZIZVXCQJGW-QFIPXVFZSA-N 495.454 2.204 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)CCc1ncc[nH]1)C2 1843331517 FLITWJCKYPPIAE-HXUWFJFHSA-N 496.612 2.264 10 20 JECD Cn1cc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c(C(F)(F)F)n1 1843441774 PIUBWHCPNPTHJO-UHFFFAOYSA-N 474.443 2.049 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)C1(F)CC1)C2 1844251455 AVMOVRSYEHEZSS-MRXNPFEDSA-N 477.533 2.239 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)cc2)C1 1844948939 YGHRFJPNNDNLEE-UHFFFAOYSA-N 457.499 2.383 10 20 JECD CCNC(=S)NCC(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1845760142 MODKKZVKRMVFBC-UHFFFAOYSA-N 453.612 2.395 10 20 JECD COc1ccc(Cl)c(CC(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)c1F 1846433468 WSQOSKARQOSGDM-UHFFFAOYSA-N 485.990 2.094 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1C(=O)O 728014802 HCGGRQZBRGISEE-UHFFFAOYSA-N 467.294 2.459 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1C(=O)O 728015652 UMZGRWCTYKAHIY-UHFFFAOYSA-N 461.477 2.276 10 20 JECD C[C@H](NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1nnc2n1CCC2 730937325 PKMYZIXUTYPMLM-INIZCTEOSA-N 465.537 2.040 10 20 JECD Cc1ccc(C(=O)OCC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cn1 899711352 GRMXQNXECBBTMG-GIJQJNRQSA-N 485.543 2.293 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)cc1 915731905 GVCFVKZRCOLFIT-UHFFFAOYSA-N 471.583 2.258 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccccc3C(=O)N3CCCC3)CC2)cc1 915743615 IPSGUWRYPZCHGZ-UHFFFAOYSA-N 493.608 2.198 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCN3CCN(Cc4ccccc4)CC3)cc2)C1 918117971 LWTVLKNZFDSUCM-DEOSSOPVSA-N 478.641 2.005 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 918217409 CTEMZRQDCJGRHS-UHFFFAOYSA-N 498.527 2.157 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)C3CCCCC3)cc2F)C[C@H](C)O1 918870445 FPZXGDXCTOJGOI-IRXDYDNUSA-N 463.550 2.295 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cc4c(OC)cc(OC)c(OC)c4[nH]3)nc12 919129583 SDLUPHPSMRDILJ-UHFFFAOYSA-N 470.438 2.476 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cc(N2CCCC2=O)ccc1F 919660078 NEVHOJKTRXBHNA-UHFFFAOYSA-N 458.465 2.183 10 20 JECD COCCN1C(=O)/C(=C/Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)C(=O)NC1=S 920975478 GEZDFCKVVMKRNQ-SFQUDFHCSA-N 494.982 2.326 10 20 JECD Cn1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c2cccnc21 1778769257 MJDQEZZFVMPVIE-QHCPKHFHSA-N 470.913 2.395 10 20 JECD COc1cc(F)c(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c(F)c1 1781708148 RCUWKIJCTNAIAU-RUZDIDTESA-N 498.486 2.210 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCn3ccnc3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790246079 JRPMQEZLBJPSKX-QOKNQOGYSA-N 462.934 2.021 10 20 JECD CC[C@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)CC1 1791108225 YLLQMWDXUFZULC-ATIWLJMLSA-N 467.657 2.043 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccccc2=O)cc1 1795776276 MEZCUPDJSPFMHW-MOOYMSSBSA-N 474.561 2.159 10 20 JECD CN(C)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1 1798884214 BDHSYCMXEJHZGA-CWPLJXCYSA-N 459.930 2.334 10 20 JECD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccs1 1801298578 VWUBKFMERJEUIB-OFTYRASOSA-N 458.536 2.271 10 20 JECD C[C@H](Cn1cccn1)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1804723593 IGABYWNVIQQONU-VJVCHYCPSA-N 491.548 2.450 10 20 JECD Cc1nscc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1805194125 WVGRWWWGMQMBRQ-KSSFIOAISA-N 475.621 2.026 10 20 JECD COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1806586033 USUGPYUIWIFWPJ-MHECFPHRSA-N 462.506 2.459 10 20 JECD O=C(CCC(F)(F)F)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1806834033 ILEFVDFGPKTXFD-DYVFJYSZSA-N 474.530 2.290 10 20 JECD COc1nc(C)ccc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807994841 KHVITWPJYZPMTR-KKSFZXQISA-N 463.494 2.233 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnc3ccccn23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996221 OGYGAWOEURIBJB-AOMKIAJQSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3cnccc3[nH]2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996419 RUTZYAXJGZPGFE-OYHNWAKOSA-N 458.478 2.398 10 20 JECD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)on1 1808463283 BLXBXBBWWIAVJN-UQBPGWFLSA-N 486.532 2.419 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808465300 SUUQAOLGQSKPGA-CLOONOSVSA-N 485.548 2.236 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@H](CNC(=O)C2(Br)CC2)[C@H]1c1cccnc1 1808707757 OJSIOHXANGFKIN-CXAGYDPISA-N 461.316 2.135 10 20 JECD O=C(Cc1cc[nH]n1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1812417970 FSPKSOBBSQVVRG-XOBRGWDASA-N 455.902 2.432 10 20 JECD CC(C)OCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162957 ZUKKXBIEQKFBND-LFXIQIKPSA-N 455.511 2.343 10 20 JECD Cn1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)c1=O 1815420307 PWKMEBHAJQHIPN-SYJIQKIWSA-N 479.493 2.245 10 20 JECD Cc1nc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cs1 1815892568 YWJKDCDHAXZVGS-CQSZACIVSA-N 478.625 2.270 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnn3c1CCC3)CC2)C1=NN(c2ccccc2)C(=O)C1 1817361659 BCWFGEFNURCUPA-CQSZACIVSA-N 489.561 2.305 10 20 JECD Nc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)sc2nccnc12 1817437189 SGBBEWRCZOIOGF-LBPRGKRZSA-N 480.510 2.423 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccc4cnccc4n3)sc2C1)c1cc(O)nc(O)c1 1818193468 NHHGXSPKOCSVOK-CYBMUJFWSA-N 462.491 2.432 10 20 JECD CN1CCC[C@@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)C1 1822560034 UPASZSVRHXIHFL-BKILABGBSA-N 472.567 2.227 10 20 JECD CC(C)O[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823499997 JGZCJHYPVJLCBW-TZMCWYRMSA-N 453.590 2.076 10 20 JECD CCn1nc(C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1827424744 NPBAZQLSAMQDID-QGZVFWFLSA-N 477.656 2.305 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2F)CC1 1829463629 QJYXBKNXPAFGBM-INIZCTEOSA-N 464.588 2.314 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3cc(Cl)ccn3)CC2)CC1 1838454094 SWXIKECGLFMBTC-UHFFFAOYSA-N 497.042 2.208 10 20 JECD Cc1cncc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)c1 1839432690 WYIKFRARLBISEF-XMMPIXPASA-N 489.956 2.157 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@@H](C(=O)N1CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C1)C2 1843250416 WGXZAUOVABOAQJ-NJAFHUGGSA-N 486.569 2.345 10 20 JECD C[Si](C)(C)c1cc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)co1 1847037904 WWPOVTYJIWVRGP-SOFGYWHQSA-N 456.571 2.472 10 20 JECD O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 725887642 SWOVGDJEAOJSDV-UHFFFAOYSA-N 464.497 2.040 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(Cc4ccccc4OC)CC3)CC2)cc1 728132642 QEKHGSOOFAWCOE-UHFFFAOYSA-N 467.614 2.353 10 20 JECD COCCOc1ncccc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 728139928 UWQMTBBSBVMTBC-UHFFFAOYSA-N 482.459 2.217 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N(Cc3ccc(C(N)=O)cc3)C3CC3)CC2)cc1 743362815 IVLLMTLRWMXUBM-UHFFFAOYSA-N 451.571 2.290 10 20 JECD COc1c(F)cc(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1S(N)(=O)=O 751407003 SRSRLTGGQIERHT-LJQANCHMSA-N 479.574 2.298 10 20 JECD COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@]4(CCCc5sccc54)C3=O)CC2)cc1 776404617 QEENIQPWLPPACI-QHCPKHFHSA-N 454.552 2.189 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(CC(=O)N3CCc4ccccc43)CC2)c1 917464685 BNIWUSXBYCZIKR-UHFFFAOYSA-N 492.620 2.134 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)OC)cc(C(=O)OC)c2)cc1C 917758020 GJLCOUPPFMZEQN-UHFFFAOYSA-N 470.525 2.131 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2F)C[C@H](C)O1 917918183 LZMQRBVRPYQEEI-KBPBESRZSA-N 461.515 2.144 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc4c(c3)NC(=O)CO4)cc2F)C[C@@H](C)O1 918891619 HNFZYXLERHTJKN-HUUCEWRRSA-N 471.485 2.243 10 20 JECD CC(C)[C@@H](NC(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc2c(c1)OCCO2 920638316 VHNBSZOIZYUACR-OAQYLSRUSA-N 478.523 2.205 10 20 JECD CCOc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1 1777852777 UDKQHVSHROVWGF-NTKDMRAZSA-N 455.511 2.333 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc[nH]c2nccc1-2 1777895188 JFDDEJIVDGTGKK-ZYAZBWOASA-N 492.532 2.472 10 20 JECD Cn1ncc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)ccc21 1778020196 FQKRVBLIXYLVEJ-HSZRJFAPSA-N 470.913 2.395 10 20 JECD CC(=O)O[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)C(C)C 1779209911 BIZMHULGHLAJAI-QMHWCDLVSA-N 482.961 2.466 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CCCC3)CCO2 1782002034 QOBIIKBEULOXHR-QFIPXVFZSA-N 460.918 2.110 10 20 JECD O=C(CCc1ccc(OC(F)(F)F)cc1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783031525 ZPSKXQNCVKQNBB-JOCHJYFZSA-N 495.454 2.468 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1ccc(-c3cccnc3)cc1)CCO2 1785545509 YVQZFPCFDJTYRH-DEOSSOPVSA-N 496.614 2.052 10 20 JECD CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C[C@@H]21 1790867805 DNTFRNZPYMMDKJ-MHFNLWBJSA-N 466.582 2.212 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@H]1C[C@@H]1c1ccc(F)cc1 1792811981 DNUWPZSSMIZYMP-QMTYCMNYSA-N 482.508 2.349 10 20 JECD Nc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)sc2nccnc12 1796160224 KPXVOGYJAZTHIL-RBVVOMGSSA-N 489.561 2.318 10 20 JECD CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796599031 ZTGKTYRXNBOXIS-QRIFCXAISA-N 472.542 2.214 10 20 JECD Cc1ccc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CN3C(=O)CSC3=S)sc2c1 1802107556 NPUMIFNSZJLSTN-YVWYUNDQSA-N 489.644 2.273 10 20 JECD COc1cc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c(F)c1 1804335683 CPDSTIMLQLZVQJ-ZSBIGDGJSA-N 469.535 2.086 10 20 JECD O=C(/C=C/c1cccnc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1804637153 FOMAPAZRCYQRTO-JNQOSRSFSA-N 481.603 2.056 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc2cccn2cn1 1809446811 OCHLALNSPYRLGI-KSFYIVLOSA-N 458.478 2.169 10 20 JECD C[C@H](Cn1cncn1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1810478566 XYRSFORPVJKFEV-AKCHCHLHSA-N 484.944 2.394 10 20 JECD CCc1cc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)nn1C 1811138683 HSFJETPCLHYFCN-UQBPGWFLSA-N 499.575 2.490 10 20 JECD Cc1nc[nH]c1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814163756 KWFBKNMOTXZTCG-UDGCLTLRSA-N 463.494 2.263 10 20 JECD CCOC(=O)C1(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)CC1 1814165554 HQUZLCQTXDVAOG-HQWUWBFJSA-N 495.532 2.261 10 20 JECD COc1cscc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814189474 QIHAZSBWNFHLNZ-KUHUBIRLSA-N 490.632 2.332 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720572 YQWNHYPWUZOYSD-WCQYABFASA-N 491.570 2.336 10 20 JECD Cc1ccn2c(=O)c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)cnc2c1 1817845395 LZJTUKGZLYYCQF-KRWDZBQOSA-N 489.492 2.152 10 20 JECD COc1ncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cc1C 1823495883 DTPAXYZLKXCDJK-HNNXBMFYSA-N 488.595 2.288 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2)n1cccn1 1826867890 LPXPGIYENGLIAP-BILJCIPTSA-N 469.523 2.343 10 20 JECD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)n1cncn1 1827717630 QTSJKMZHKWCADP-AVRDEDQJSA-N 477.569 2.252 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccccc1F)CC2 1828247248 QZWCHMWCKUWUNO-JTQLQIEISA-N 464.569 2.368 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccncc3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132837 ROVWWSNTGONBSB-UHFFFAOYSA-N 474.565 2.060 10 20 JECD COCCCC(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1836653498 BUSDFFKUQYIWTC-FNORWQNLSA-N 462.543 2.242 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1838032345 MTDHHARHKBCOKV-UHFFFAOYSA-N 482.537 2.377 10 20 JECD CC(=O)C[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838111961 YINLBIYOXMQDCB-GOSISDBHSA-N 482.581 2.393 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)cc1)CCO2 1838956123 BCBOZNJYXRJEQT-QFIPXVFZSA-N 464.877 2.274 10 20 JECD CC(C)OC(=O)c1ncccc1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1842185412 WGLWNUOPWVAMTN-UHFFFAOYSA-N 489.532 2.257 10 20 JECD N[C@@H](C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)c1cccc(Cl)c1 1847039225 UELBEFTZQJAQOV-ZLQZBKBYSA-N 457.914 2.373 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)cc2F)C[C@H](C)O1 747841254 BHMRMPABQMJYHM-GJZGRUSLSA-N 462.547 2.108 10 20 JECD O=C(NCCCN1CCN(c2ccncc2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 748343471 IUEVUHGPFSTNFJ-UHFFFAOYSA-N 456.566 2.069 10 20 JECD CCN(CC)c1ccc(CN(C)CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 759643662 OLGMJJKGSIGXLV-FCHUYYIVSA-N 451.633 2.159 10 20 JECD COc1ccc(OC)c2c1CN(C(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)C[C@@H]2O 918117072 GEMYHNGPRPBVRA-PXNSSMCTSA-N 468.554 2.164 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCN(Cc2cn3ccccc3n2)CC1 918219890 PYBAFSDPWBZTTO-UHFFFAOYSA-N 466.561 2.462 10 20 JECD COc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 918224564 QWLBPUCTKWPWQU-UHFFFAOYSA-N 456.518 2.339 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)CC2)cc1 918461797 LYBIJPKHNOSMTF-UHFFFAOYSA-N 490.557 2.052 10 20 JECD CC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 918464691 ZJITYXLWDODSLW-INIZCTEOSA-N 471.945 2.255 10 20 JECD Cc1nc(-c2ncccn2)sc1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 919438886 OAPYHFKTARQUED-UHFFFAOYSA-N 471.514 2.357 10 20 JECD CC(=O)NC1(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CCCCC1 919854993 CWETVFMJIVXRGH-UHFFFAOYSA-N 454.550 2.398 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](C)NC(=O)OCc3ccccc3)CC2)cc1 919867271 JZGJHAZDDCGDMJ-GOSISDBHSA-N 455.511 2.202 10 20 JECD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 920036259 FETMCISUUMWJQT-AGKZXYDUSA-N 494.567 2.206 10 20 JECD O=C(O)/C=C\c1ccc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 920957518 LRQKPRGMIUEWSM-ALCCZGGFSA-N 462.440 2.112 10 20 JECD COc1cc(F)ccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785509932 CQKPUDOKNHMFKN-MLENBVEFSA-N 472.469 2.108 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)cc1F 1787538499 DPWCBINZIHPFQF-LTMIRXACSA-N 494.523 2.221 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc(-c2cccs2)on1 1788911306 ZYWJJRWVCQGKSB-JDFRZJQESA-N 470.507 2.116 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc[nH]c2nccc1-2 1796187509 NWNYQQKPFJIIDZ-IVWMJMPLSA-N 456.886 2.096 10 20 JECD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(F)c1 1799457013 XMRWEELAPOAPEX-GPVSGQMNSA-N 464.497 2.130 10 20 JECD Cc1cc(F)c(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1799811310 XCNPQXANNASHNV-PWRVDJJQSA-N 474.460 2.307 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C2 1802078855 KMBNJXJSEIQCNO-GQDIDFGHSA-N 482.508 2.349 10 20 JECD Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c(C)n1 1802749022 QFSDCHOJNDRBGL-BCDXTJNWSA-N 460.625 2.130 10 20 JECD O=C(Cc1cccc(Cl)n1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804699925 MKBPOHIZEDUJCG-NYHFZMIOSA-N 467.913 2.499 10 20 JECD CC(=O)Nc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1 1816728174 LZNMZXNXXGHMAP-HNNXBMFYSA-N 467.507 2.447 10 20 JECD CCc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)nn1C 1817362279 ULMUEWRLLFQSTO-CQSZACIVSA-N 491.577 2.458 10 20 JECD O=C1CSc2ncc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)cc2N1 1817847338 WMLVYXYYJBLBGZ-OAHLLOKOSA-N 495.521 2.275 10 20 JECD CC(C)(C)OC(=O)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822118831 ZRXBRHAIMIKCLB-CQSZACIVSA-N 460.491 2.047 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(Cl)cn2)CC1 1825684428 TXYVDIXSCRDYHZ-HNNXBMFYSA-N 482.031 2.224 10 20 JECD Cc1cc(C)n(CC(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)n1 1828194893 ARTPLGPQYUVJKE-SGJXGLNRSA-N 483.550 2.399 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828244703 OIPYJRBMYAIGQT-WOPDTQHZSA-N 452.627 2.352 10 20 JECD CN1CCC(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)CC1 1833105064 VEUUQZWNYLANRD-UHFFFAOYSA-N 479.021 2.278 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC[C@H]3CCCC[C@@H]31)CCO2 1836701828 CCJAOKLEFMJCOD-RVGQZVGJSA-N 473.570 2.169 10 20 JECD Cn1cc(CCC(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)cn1 1837933192 MFFHFURUYHZKPG-QPJJXVBHSA-N 498.580 2.182 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)n2cncn2)CCO3)cc1 1840420427 KNULCMQVCQURBY-HFZDXXHNSA-N 492.580 2.017 10 20 JECD CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)C1=CCC=CC1 1843250051 FYTMHLFRYGMFIH-HXUWFJFHSA-N 484.553 2.480 10 20 JECD C[C@H]1Oc2ccc(C(=O)N3CC4(CCCN4C(=O)/C=C/c4ccc(O)c(O)c4O)C3)cc2NC1=O 1847038194 DGXVVXIQUSTQOS-LHRNQBEKSA-N 479.489 2.053 10 20 JECD O=C(COC(=O)CN1C(=O)NC2(CCCCC2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 10054551 NNMCLYTVOAIKMZ-UHFFFAOYSA-N 489.484 2.198 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC(=O)N(Cc4ccc(C)cc4)C3)CC2)cc1 742917407 WMWXQMCBQGPWTL-JOCHJYFZSA-N 450.583 2.291 10 20 JECD O=C(NC[C@@H]1CCCO1)c1c(NS(=O)(=O)c2cccc(-n3cnnn3)c2)sc2c1CCCC2 743729479 GYPAJSKLGZHHIC-HNNXBMFYSA-N 488.595 2.312 10 20 JECD CCOc1ccc(S(=O)(=O)NCC(=O)NCc2ccc3c(c2)CCCN3C)cc1OCC 751387237 NSIHBFMMMRWNFE-UHFFFAOYSA-N 461.584 2.461 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)/C(=C\c3ccccc3)n3nnnc3C)CC2)cc1 843444121 IHODWOYOCOWYIL-LYBHJNIJSA-N 461.570 2.317 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)c2C)cc1 913374369 BMRVPUMZSRGTGK-UHFFFAOYSA-N 460.490 2.388 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cccc(-n4cccn4)c3)CC2)cc1 915744370 BDUDAYCFIKTXFC-UHFFFAOYSA-N 462.554 2.148 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 916392480 YOJPFVJYUPNMRF-UHFFFAOYSA-N 451.571 2.446 10 20 JECD O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)c1ccc(O)c(O)c1 916590328 OKWXTQZNZGXKCO-UHFFFAOYSA-N 490.317 2.465 10 20 JECD Cc1nnc(SCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1Cc1ccccc1 916676761 QUAJTEHTGCUIQH-UHFFFAOYSA-N 485.635 2.278 10 20 JECD COc1ccccc1-n1nnnc1SCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 917172558 JUURQIMAIAVPRZ-UHFFFAOYSA-N 458.519 2.055 10 20 JECD CN(CCCNC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)S(C)(=O)=O 917205568 DAEHRXLVPYPNBE-SFHVURJKSA-N 466.629 2.219 10 20 JECD CCOC(=O)c1c(NC(=O)CN2CCCN(c3ccc(OC)cc3)CC2)sc(C(N)=O)c1C 917207934 QFDHPWLZXQRPFS-UHFFFAOYSA-N 474.583 2.492 10 20 JECD COc1ccc(N2CCCN(S(=O)(=O)c3ccc(N4C[C@@H](C(=O)O)CC4=O)cc3)CC2)cc1 917759314 NGVSSCPHYWOHGL-KRWDZBQOSA-N 473.551 2.034 10 20 JECD O=C(CCN1CCOCC1)Nc1cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)ccc1F 918265926 LGYYKZCYJAFZNF-UHFFFAOYSA-N 497.571 2.342 10 20 JECD CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)CC1 918311877 WLEQUJTZNMOUFN-UHFFFAOYSA-N 479.625 2.258 10 20 JECD O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 919729547 BDIVSFBRFZYZKG-UHFFFAOYSA-N 479.624 2.176 10 20 JECD O=C(c1cc(O)nc(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004637 IXYLERJMNSYWFA-HXUWFJFHSA-N 468.293 2.263 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1ccc(O)cc1F)CCO2 1782007936 PDXNWBJUQHIWNJ-NRFANRHFSA-N 450.850 2.353 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCCC1(F)F)C2 1783245316 RWKLTODXHZOMOS-BXTJHSDWSA-N 489.610 2.186 10 20 JECD COc1ccc(/C=C(\C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)cc1 1787294522 VMJCKEBJCADCFL-DCPWPXLHSA-N 467.522 2.198 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790245203 XCOUTFZHWULKMD-DFHZNHDVSA-N 474.945 2.240 10 20 JECD O=C1CN(CC(=O)NC2(c3ccc(NC(=O)c4cc(O)c(O)c(Cl)c4)cc3)CCC2)C(=O)N1 1790775505 FSUITWUEDOIVLS-UHFFFAOYSA-N 472.885 2.051 10 20 JECD Cc1nccn1CC(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1791112714 RBEKEXSCLXYISO-UHFFFAOYSA-N 457.581 2.186 10 20 JECD O=C(CCc1c[nH]c2ccccc12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1795833844 HWCJFCXNHXMQKV-VXECKQGCSA-N 499.571 2.483 10 20 JECD COc1ccc(-c2ncccc2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)cc1 1796138311 ULUCHKZMGRIQSY-FEJSZKPUSA-N 490.516 2.080 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1ccc(-c2ccc(O)nn2)cc1 1796604213 QJSJVVSLFVEULA-BCDXTJNWSA-N 461.478 2.221 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1ccc2occ(Cl)c2c1 1798614491 LINCYPRJZDRQPV-DBWKPXFBSA-N 493.994 2.150 10 20 JECD COC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1802598303 CCTMFJOKJRUOEC-AVRDEDQJSA-N 463.538 2.305 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1803337256 RPCFIHKOQCOUIF-UFGBVDADSA-N 451.571 2.290 10 20 JECD COc1cccc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n1 1804431819 KPAQUVHHGZIBBK-BXKMTCNYSA-N 477.521 2.244 10 20 JECD COc1cccnc1CCC(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1806973782 ZTSCWEOVZUYSCT-UHFFFAOYSA-N 490.651 2.114 10 20 JECD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)[nH]1 1808464303 KIXMWSXIODBKGD-WZONZLPQSA-N 471.521 2.226 10 20 JECD CO/C=C(\C)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808468587 UTVAMRXJDONZOU-IQPBZMAQSA-N 461.522 2.431 10 20 JECD Cc1nc[nH]c1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1808687761 RKKNOIXUFJOKHC-PQGDUDRBSA-N 463.494 2.263 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CC2)C1 1810546340 FBASFCIRPMXEJL-UHFFFAOYSA-N 482.493 2.495 10 20 JECD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)[nH]1 1814162920 ZDDJUGSXIBPXDW-IRUILINGSA-N 463.494 2.263 10 20 JECD NC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)c1ccccc1 1817844800 MITLMPZUNJGIRY-WMZOPIPTSA-N 450.499 2.264 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2ON=C(c3ccccc3)O2)[nH]n1)c1cc(O)nc(O)c1 1817846374 ULOHIDKABGQRGJ-QMHKHESXSA-N 478.465 2.257 10 20 JECD O=C(CCN1CCOC1=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1818846560 XUCWIYHHOMWCBV-IBGZPJMESA-N 493.524 2.037 10 20 JECD O=C(c1cc(Cl)ncn1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901125 NTBHWSDDUMIFNX-HNNXBMFYSA-N 482.031 2.224 10 20 JECD CCN1CCC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1832955401 OYKIYVLNRUOEDM-LJQANCHMSA-N 480.700 2.198 10 20 JECD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccccc1 1834988169 ICAODYRJIJLBKT-QGZVFWFLSA-N 452.555 2.482 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)cco4)C3)C2)cc1 1839349019 ZQOIFHDUNGGOSL-MHZLTWQESA-N 491.544 2.431 10 20 JECD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)c1ccc(O)cc1 1839433794 VGQKBPGQTILFON-MYYSRTQBSA-N 490.940 2.331 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)Cn2ccc3sccc3c2=O)C1 1842021089 QHXQZUQADJMUGR-HWKANZROSA-N 481.530 2.097 10 20 JECD CC[C@@H](C)[C@H](N)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1842891815 MMWDKNUHRFBQRQ-UIFIKXQLSA-N 487.645 2.281 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(CS(C)(=O)=O)o3)cc2F)C[C@@H](C)O1 726047012 NCOMQZVMPZOFPS-HUUCEWRRSA-N 482.530 2.050 10 20 JECD CCOC(=O)c1cc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)ccc1Cl 743432412 LQJWSXCCPUYZDA-UHFFFAOYSA-N 488.972 2.402 10 20 JECD COCCN1C(=O)c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2S1(=O)=O 917094945 PPNQWBKBUMUCQG-UHFFFAOYSA-N 457.552 2.348 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N(C)Cc3ccccc3O)CC2=O)cc1 917309088 ILYMGZCWVGKOBZ-SFHVURJKSA-N 459.568 2.434 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)cc2)C1 917835068 YLTZWTCBWTWQMH-SIKLNZKXSA-N 450.539 2.436 10 20 JECD Cc1ccc(C(=O)N2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)s1 917839274 HLGAEKAUKQERRX-UHFFFAOYSA-N 460.575 2.106 10 20 JECD COCC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 918275260 OQQCVLHDVPQICF-UHFFFAOYSA-N 494.470 2.382 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc4c(c3)OCC(=O)N4)cc2F)C[C@H](C)O1 918892242 WXCOYIIMVPZUMM-GJZGRUSLSA-N 471.485 2.243 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cc3nnc(O)c4ccccc34)cc2F)C[C@@H](C)O1 918952111 DZPCWUKDLBCBDH-HZPDHXFCSA-N 482.512 2.490 10 20 JECD CCN(CC)CCCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 919790104 GHLUNGXSDWUFOJ-UHFFFAOYSA-N 459.635 2.293 10 20 JECD CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 919840803 XNOBYHPQDQLVBR-UHFFFAOYSA-N 465.597 2.203 10 20 JECD NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 920939625 FFIUUADUHHLVKQ-OFNKIYASSA-N 478.597 2.160 10 20 JECD CN1CCC(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)CC1 1778126600 FCWYNWHMTYAQAL-YIXXDRMTSA-N 495.624 2.025 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3ccc4occ(Cl)c4c3)C2)C1 1780220707 RCVFEXLMPOGVIC-OAQYLSRUSA-N 493.994 2.390 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1782004473 WHTBNPSTQULFBO-CVDCTZTESA-N 474.897 2.035 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)ccc1F)CCO2 1782007698 KWTRZNMPIXAKFU-NRFANRHFSA-N 450.850 2.353 10 20 JECD Cc1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)ccc1F 1783220299 WZWOCIFWTDDUBO-BDBNTTMOSA-N 485.512 2.487 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1cccs1)C2 1783245924 KQQSKVUHUOXSEU-MZSRDANUSA-N 479.649 2.136 10 20 JECD COc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785510546 OUXWQBXCZOSMAM-CMEAPCDJSA-N 472.469 2.108 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3cccc(Cl)c31)CCO2 1785546444 FNJIQMKQGJYXGG-NYHFZMIOSA-N 494.038 2.060 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C(F)(F)F)CCC3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539198 ZWHIADRSPMYKHW-IEZWGBDMSA-N 492.498 2.492 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)[C@H]1CCc2ccccc2O1 1791228954 IDLQMRXIGINUFR-GDZMFZFSSA-N 494.544 2.190 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(F)CCCCC1(F)F)C2)C1=NN(c2ccccc2)C(=O)C1 1796479624 LYHJOVBNISPQFP-BORIIKKCSA-N 492.498 2.287 10 20 JECD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)N1CSCSC1 1796934428 BWWBOKRYVJOBQJ-DKKFBQAASA-N 487.651 2.461 10 20 JECD CCN(CC)C[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1801281893 GHSDBOVVZRIDNG-RMVXJAJNSA-N 453.587 2.395 10 20 JECD CCOc1ncccc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1802319640 UWKYIMCYOFQEAP-JXFKEZNVSA-N 499.618 2.055 10 20 JECD COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1804283215 NZMPCDWGTFPPLN-BNFYLJQCSA-N 458.511 2.044 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cc(O)nc2ccccc12 1804333030 ACQYWYWOEASJAO-BTTYYORXSA-N 470.576 2.053 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc2cccnc2[nH]1 1809901833 SNQNCLHBDYXETL-IIBYNOLFSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cnc(Cl)s1 1811034935 FPHNFMFUAQDRAY-MLGOLLRUSA-N 496.039 2.371 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cn2ccccc2=O)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811802793 CGOKBRVPETYAIJ-OPAMFIHVSA-N 482.924 2.328 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2noc3c2CCCC3)[C@H]1c1cccnc1 1814188822 AZZUZWSTWYMNMA-VFNWGFHPSA-N 499.618 2.128 10 20 JECD CN(C)c1cncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c1 1816105812 ZBJDPAODGLBFTM-MRXNPFEDSA-N 487.611 2.037 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3nonc3c1)CC2)c1cc(O)nc(O)c1 1816726433 YPXJZSUZUODDME-LLVKDONJSA-N 452.452 2.025 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cccc(N2CCOCC2)n1 1818281653 PWWGUOXHFJPKLS-SFHVURJKSA-N 493.524 2.067 10 20 JECD Cc1cc(C)n2ncc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)c2n1 1818585854 XGXAXFIGOVNWLG-QGZVFWFLSA-N 476.497 2.495 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc4cccnc4[nH]3)sc2C1)c1cc(O)nc(O)c1 1819165962 PPZPAUWVUANZAQ-LBPRGKRZSA-N 450.480 2.365 10 20 JECD COc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)ccc1O 1823500224 WZBWOIZRRJUGSW-AWEZNQCLSA-N 489.579 2.290 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1824397390 IGOFHSIXDJQBOQ-GCJKJVERSA-N 481.597 2.314 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)C3CC4(CCC4)C3)sc2C1 1827375619 YNCOSXMJUGKOHL-LBPRGKRZSA-N 464.638 2.496 10 20 JECD CC1=C(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)CCO1 1834918870 CZZHNDVLOPLOOM-HWKANZROSA-N 471.554 2.083 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(OC3CCN(C(=O)Cn4cnnn4)CC3)CC2)cc1 1837968053 UQEITTVQAGABPR-UHFFFAOYSA-N 491.596 2.393 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)CN2CCCC2)C1 1841091723 INKXHXAOZNCMGM-OAQYLSRUSA-N 485.629 2.004 10 20 JECD COc1ccc(N2CCC(NC(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)CC2)cc1 726715424 SCLHRVFWZHGDMF-UHFFFAOYSA-N 465.598 2.308 10 20 JECD COc1ccc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)cc1Br 727177216 DRJGGHASHOWDNA-XYOKQWHBSA-N 451.389 2.208 10 20 JECD CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)cc1 857453441 IOTVHCPBCBWQSZ-MRXNPFEDSA-N 475.567 2.078 10 20 JECD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(OCC(=O)O)cc3)cc2F)C[C@@H](C)O1 917917248 FCTORBGWRCFNJN-HUUCEWRRSA-N 452.504 2.381 10 20 JECD CCS(=O)(=O)NC1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 918219221 HEKTWBSOKCQVCY-IYBDPMFKSA-N 456.584 2.053 10 20 JECD COc1ccc(N2CCCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc3ccccc3)CC2)cc1 918705382 DAGFQYZWEJSDBX-QFIPXVFZSA-N 468.554 2.294 10 20 JECD CS(=O)(=O)Nc1cccc2c1CCN(C(=O)NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)C2 919653750 BKOUCZDFZWJHAH-LJQANCHMSA-N 485.610 2.028 10 20 JECD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777852106 BVIUDBJYBPQBNQ-UZUQRXQVSA-N 488.472 2.290 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc2n(n1)CCCC2 1779039963 ICQWSTYZTKBSTG-ZYHKADTASA-N 496.564 2.177 10 20 JECD COc1nc(C)ccc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1779743582 NNRJLUCUQOSVIM-QFIPXVFZSA-N 461.902 2.221 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)nc1 1783220349 YODGVQYCSCWQIO-SZMMQSAJSA-N 467.522 2.348 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cc(F)c(F)cc1F)CCO2 1785509759 CFROORAMCXCRAQ-ZGVNINRLSA-N 478.423 2.378 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)Cc1c[nH]c3ccccc13)CCO2 1785510127 NMLZLZCUXWAKST-AQBQYSGMSA-N 477.517 2.371 10 20 JECD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788428983 KRIMJMUGIOKZPT-UHFFFAOYSA-N 479.449 2.011 10 20 JECD COc1ccccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1789466705 SUTIVYFZNLBDIQ-NYDSKATKSA-N 476.533 2.081 10 20 JECD COc1ccc([C@H](O)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)cc1 1790242951 GLYVUWAFMFOKCY-XWIOLROMSA-N 490.940 2.087 10 20 JECD CC(C)c1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)cc1 1791010494 QVSWGAPIXMEXBH-UFYCRDLUSA-N 489.663 2.193 10 20 JECD CC(C)(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cn1 1792396786 YVXYLEHNFWWESO-XFPJJLEJSA-N 481.549 2.413 10 20 JECD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2)n1cccc1C=O 1796203293 ZWZQZSKJSAPMIX-OUVYDVBVSA-N 453.495 2.330 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3c(s1)CCC3)C2)C1=NN(c2ccccc2)C(=O)C1 1796481282 ONFSOAWRZFCDKW-GPVSGQMNSA-N 478.574 2.233 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1ccccc1[N+](=O)[O-])c1cc(O)nc(O)c1 1802182603 AJPLODFMBKKKFB-QDMKHBRRSA-N 458.496 2.445 10 20 JECD CC[C@@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1802882872 XPKMLXQKWIBGGS-XFQXTVEOSA-N 474.945 2.381 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1csnn1 1803751131 QRIDRJRRNRCAPZ-HRAATJIYSA-N 475.534 2.046 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1occc1Br 1804333904 YSXXUUUHHXQZNU-JGPRNRPPSA-N 472.386 2.154 10 20 JECD Cn1c(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)cccc1=O 1805312309 CSVFWROVTJFMGX-QVKFZJNVSA-N 482.924 2.478 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2ccc3c(c2)CCO3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998566 MHESFUFEMQBMDZ-CLOONOSVSA-N 474.517 2.385 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cccc2[nH]ncc12 1808039105 APGZPKBQEXJSPQ-QVKFZJNVSA-N 494.602 2.138 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2ccc(O)cn2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470203 UBARCUGCTLOEPQ-SIBVEZHUSA-N 498.543 2.224 10 20 JECD Cc1cccc(CCC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)n1 1814184766 FRZWQYVXNAINMR-JPYJTQIMSA-N 497.646 2.284 10 20 JECD COc1cnc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)cn1 1816612340 RZUCZKYYYORHAS-BVBGJJFLSA-N 480.481 2.344 10 20 JECD COC(=O)c1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)s1 1816727248 IJOSHQKOMCACGL-NSHDSACASA-N 488.547 2.266 10 20 JECD COc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1NC(C)=O 1816727506 ZMZOTHNKRJHKFN-CQSZACIVSA-N 497.533 2.456 10 20 JECD C[C@@H]1CC[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)O1 1818739364 HDSDGTLXKKGMEJ-PAQMHRHSSA-N 459.524 2.453 10 20 JECD CC[S@](=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1819510795 QEGWPNYNRIYTOA-UUBFPDNSSA-N 487.607 2.007 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ncc(F)cc2F)[nH]n1 1823497276 TZEPZRJEXCBJPM-CYBMUJFWSA-N 480.522 2.249 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(O)nn1)CC2)c1cc(O)c(O)c(Cl)c1 1823708286 PGWGTRNOPXAAGF-VIFPVBQESA-N 461.887 2.243 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)CCOc1ccccc1)CC2 1828242212 DWACOPMFVGDTRP-ZDUSSCGKSA-N 490.632 2.385 10 20 JECD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)n1cccc1C=O 1832898614 SGNNUBOCPAJERT-LPHOPBHVSA-N 490.651 2.342 10 20 JECD O=C(CCc1cnc[nH]1)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837137095 KVVNTSRWBDLWIR-UHFFFAOYSA-N 492.580 2.134 10 20 JECD O=C(Cc1ccsc1)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1837957413 AQSWGPVSNHYLSK-UHFFFAOYSA-N 481.665 2.150 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)cc1 1839348287 LEHZCGKWIJQCCR-AREMUKBSSA-N 477.565 2.130 10 20 JECD CNS(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)ccc1OC 108898273 NTICOGCTXAFHKP-UHFFFAOYSA-N 458.584 2.388 10 20 JECD COc1ccc(N2CCC(NC(=O)NCc3ccc([C@]4(C)NC(=O)NC4=O)cc3)CC2)cc1 726711455 AFTOGSSQEWLSOC-DEOSSOPVSA-N 451.527 2.218 10 20 JECD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3cc(C(N)=O)n(C)c3)sc2C)s1 727249512 YZQDRLDQIOTYBZ-UHFFFAOYSA-N 453.571 2.054 10 20 JECD C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 729598630 IEVJTNWEPZRSRC-FUPPJEDESA-N 470.662 2.088 10 20 JECD NC(=O)c1ccccc1OCC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 729928039 WNZDUPUBHJWBFC-UHFFFAOYSA-N 458.426 2.122 10 20 JECD COC(=O)CCOc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 747560608 OHEYSEJQSJTINB-QGZVFWFLSA-N 455.511 2.281 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](CC(C)C)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)CC2)cc1 784496872 YGXSGFWBSDAUBD-XPWALMASSA-N 497.592 2.253 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)/C(=C/c3cccc(F)c3)n3nnnc3C)CC2)cc1 818196116 QISXYNMTLUDHHQ-JCMHNJIXSA-N 480.500 2.019 10 20 JECD CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C(=O)OC)cc3)cs2)cc1 906375279 OITGSXKMDGSKRH-UHFFFAOYSA-N 467.550 2.306 10 20 JECD CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 917911339 DXJOCSMXFWBTEQ-MRXNPFEDSA-N 479.521 2.152 10 20 JECD Cc1ccc(-c2nnc(S)n2CCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 918336110 VTBIKYCXUDCRJC-UHFFFAOYSA-N 485.635 2.484 10 20 JECD COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 918438041 DKVZMFIYUDISJO-UHFFFAOYSA-N 463.893 2.482 10 20 JECD COc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1S(=O)(=O)N1CCCCC1 918443274 CDCDVDMGZMGDTC-UHFFFAOYSA-N 461.540 2.173 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)CC2)cc1 918461453 CUNKUWOTQGNYCC-UHFFFAOYSA-N 467.494 2.369 10 20 JECD CCn1c(S)nc2cc(C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)ccc2c1=O 919840613 SQJVCSCKFHJVFV-UHFFFAOYSA-N 458.565 2.192 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C2)C1 1781884306 GQVCMLCGXWXGFX-WHVGEVHXSA-N 490.516 2.350 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccnc3c(O)cccc13)CCO2 1785510173 QJINBQCKKBLCEK-MXDXTTGUSA-N 491.500 2.214 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1ncccc1-c1ccccc1)CCO2 1785539549 DEWRBEZMYISZJJ-DEOSSOPVSA-N 496.614 2.052 10 20 JECD O=C(Cc1ccccc1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1790899792 ITHCIDRDCQIJBH-UVFQYZLESA-N 460.914 2.293 10 20 JECD Cc1ncccc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792217435 CFTBMPKTAWIXAN-LRWDDDAMSA-N 481.549 2.133 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3Cl)C[C@@H]21 1792218361 VWBKEUJOSIDSDR-HAMHFSBISA-N 473.913 2.159 10 20 JECD Cc1cc(Br)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796140211 HIIRNJRJOSETNB-HBCWATKFSA-N 476.327 2.081 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(F)F)cc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480816 KJLUOPPTLUWNJH-FAQVEIGNSA-N 498.486 2.284 10 20 JECD O=C(CNC(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800715815 QLLQEYUMZPSLFN-BTTYYORXSA-N 463.943 2.495 10 20 JECD Cc1ncsc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1805760557 VINURVVEMNOUDN-PBHICJAKSA-N 475.621 2.026 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC2(CCCN(C(=O)c3cnsn3)C2)CC1 1807604200 SBMZKDIECYXXHL-UHFFFAOYSA-N 452.540 2.176 10 20 JECD CC(C)Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n(C)n1 1807995080 XLFFVPBFFDDHBT-HXOBKFHXSA-N 478.553 2.453 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCCO2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808464867 PYNGEYMSZGTNRU-KWOQKUFVSA-N 475.549 2.449 10 20 JECD O=C(NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](O)CC2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470885 ZSTQGASKTOSZGJ-HWZPKBPFSA-N 489.576 2.431 10 20 JECD O=C(CCn1cncn1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1813320503 PZXRNWRHHUVWLC-MGPUTAFESA-N 470.917 2.148 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cnoc2)[C@H]1c1cccnc1 1814163547 HGBAWXBJLDRCRH-PEOKUMBASA-N 450.451 2.219 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821291623 WHAGNGYIQVTNNR-ABAIWWIYSA-N 484.962 2.461 10 20 JECD O=C(c1cnc(OCF)cn1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827426811 IFKMPWMGZQFSBJ-KRWDZBQOSA-N 459.478 2.136 10 20 JECD O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717330 AXGCJISJTVMNFZ-ADGBJGEGSA-N 464.566 2.291 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832449014 MIEJHQGDLBVPNU-MOPGFXCFSA-N 480.700 2.339 10 20 JECD O=C(/C=C/C1CC1)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1833325515 QTCWMNLSIUSSRO-CMDGGOBGSA-N 463.582 2.317 10 20 JECD CC1(C(=O)NC2CCN(C3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)CC1 1834350826 MGZHQNHRBCUILK-UHFFFAOYSA-N 451.571 2.151 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)C3CC4(CCC4)C3)C2)C1 1839435325 HBYKEAAXABASGP-QHCPKHFHSA-N 464.946 2.402 10 20 JECD O=C(c1ccc(Cl)nc1F)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441436 XDJWIDDWNBSXDA-UHFFFAOYSA-N 455.877 2.484 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@H]1F)C2 1844251523 DQJKNOFPUQYPMK-YESZJQIVSA-N 477.533 2.095 10 20 JECD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034364 IVCQLJXOBBWDFL-CSKARUKUSA-N 475.542 2.323 10 20 JECD COc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847035244 UQMWIRSRLSBDRC-CSKARUKUSA-N 454.479 2.108 10 20 JECD COc1ccc(CCN2C(=O)C(=O)N(CN3CCCN(c4ccc(OC)cc4)CC3)C2=O)cc1 725770482 WZDMOEQAJCKECE-UHFFFAOYSA-N 466.538 2.207 10 20 JECD CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 727600159 BVZQSDBCZGYWAT-HNNXBMFYSA-N 464.563 2.255 10 20 JECD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc2c(c1)CCCN2C 746811834 LJGPTRCUPPTXIO-UHFFFAOYSA-N 459.568 2.029 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1F 747012348 VASPXAMXFGTCQM-UHFFFAOYSA-N 462.547 2.321 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(CC(=O)Nc4ccccc4)CC3)cc2F)C[C@H](C)O1 916974488 KLGPCUHVBRQEEB-SFTDATJTSA-N 497.615 2.312 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(Cn4cncn4)c3)cc2F)C[C@H](C)O1 918286628 JDILSVYZNXVPCI-IRXDYDNUSA-N 466.517 2.334 10 20 JECD COC(=O)COc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)c1 918298329 ZTEULSZMYDBJRD-LJQANCHMSA-N 456.495 2.399 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnc(S)n1-c1ccc(F)cc1 918336393 ZEMXTVJSKRJJJG-UHFFFAOYSA-N 460.556 2.465 10 20 JECD CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 918671575 DVLOCARCBOSTHH-LJQANCHMSA-N 488.610 2.234 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCC(=O)c3ccc4c(c3)OCCO4)cc2)C1 918673826 SBLZZZYABYUTEQ-LJQANCHMSA-N 451.523 2.439 10 20 JECD COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 921063062 ORFXUDWRFAPCBI-YHYXMXQVSA-N 476.551 2.410 10 20 JECD Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C(=O)N[C@@]3(C)CCS(=O)(=O)C3)C(C)C)sc2n1 924234169 ROQWXRQDUSMVSO-QRWLVFNGSA-N 453.586 2.370 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)c3ccccc3o1)C2)c1cc(O)nc(O)c1 1777846608 QGUBVHUWNGJLJH-CJFMBICVSA-N 479.489 2.041 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCc3ccccc3O1)C2)c1cc(O)nc(O)c1 1777851034 UIXFGJVKMQUAMO-WZOHSFFVSA-N 467.522 2.014 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4cccc(Cl)c34)C2)C1 1778762663 ISVSJLNTWYWUML-OAQYLSRUSA-N 493.010 2.125 10 20 JECD CCn1nc(C(C)C)cc1C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1780400497 IRSBFKXGPJZKJY-SANMLTNESA-N 492.580 2.263 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1ccc(Cl)cc1 1780424859 OBPOKKVBUGIIIZ-IIBYNOLFSA-N 482.027 2.328 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc(O)c(F)c1 1780919958 HIAUVVLQTCTJML-ATIYNZHBSA-N 494.523 2.452 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)C1 1782600408 WTIKOHJFDZIHAU-QFIPXVFZSA-N 484.490 2.373 10 20 JECD O=C(Cc1ccc(F)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1786539604 KGIPQBWXVIVZOC-COXPJZAUSA-N 470.497 2.178 10 20 JECD CN(C)[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccccc1Cl 1790677093 CMVKCGJRDXCIDJ-DHKPLTOSSA-N 488.972 2.042 10 20 JECD Cc1ccn(CC(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n1 1804621166 KUXMXVNZLOHYNN-CPJSRVTESA-N 485.548 2.085 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n(C)n1 1805639300 FYZGKWTWSSEKCG-CYFREDJKSA-N 485.548 2.236 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ncn(-c3ccccc3)n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994544 UJPALGFLVFNHBP-VGOFRKELSA-N 485.504 2.102 10 20 JECD Cc1cnn(CC(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)c1 1810196715 VKMDGYBELFUERY-UHFFFAOYSA-N 462.554 2.216 10 20 JECD CCOC(=O)N1CCC(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)CC1 1814059768 JQGBTTPFESUMEI-GCJKJVERSA-N 497.552 2.076 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)Cc2ccsc2)[C@H]1c1cccnc1 1814189676 VWUNRKFQKNXCPP-UZLBHIALSA-N 474.633 2.252 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCSC2)[nH]n1 1823500826 HJNRJMUJPSPQAP-TZMCWYRMSA-N 467.642 2.405 10 20 JECD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1)n1cncn1 1823713205 HIOWIFIYEFSUHY-KOLCDFICSA-N 462.919 2.286 10 20 JECD N=C(N)SCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1826883057 KVPMSONSMPQGAQ-QQOXCAACSA-N 476.599 2.453 10 20 JECD O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717331 AXGCJISJTVMNFZ-JXKFMYIUSA-N 464.566 2.291 10 20 JECD CCOC(=O)O[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1831139100 BCVRZMXJOBGGEI-HOCLYGCPSA-N 485.628 2.028 10 20 JECD O=C(COCc1ccccc1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837796568 AQISMVJYPJTVGJ-UHFFFAOYSA-N 469.538 2.322 10 20 JECD CC[C@@H](C)[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1847831175 CMYOQIJCQHMWCJ-PJYFRALDSA-N 488.629 2.313 10 20 JECD COc1cc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc(O)c(O)c2O)cc(OC)c1OC 1847975356 BKZZJLVCEDCOLB-KEEVIKFDSA-N 498.532 2.287 10 20 JECD CCCCn1c(N)c(N(CC)C(=O)CSc2ncc(-c3ccccc3)n2C)c(=O)[nH]c1=O 19429583 GOYDMJIGSBMWKL-UHFFFAOYSA-N 456.572 2.465 10 20 JECD Cc1cc(C(=O)COC(=O)CNC(=O)c2cccc(F)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 21463376 KIOBQMWEVGRXHQ-UHFFFAOYSA-N 487.509 2.037 10 20 JECD CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1cccc3c1C(=O)c1ccccc1C3=O)n2C 104946966 VTBVFDNRKCHXDQ-UHFFFAOYSA-N 486.484 2.356 10 20 JECD O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCC[C@@H](C2OCCO2)C1 728074298 YEMBVMBUHVGCQB-CQSZACIVSA-N 477.495 2.326 10 20 JECD CN(C)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1F 746975316 BMRBWMLQWGNFHD-UHFFFAOYSA-N 465.507 2.016 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC[C@H](C(=O)NCC4CC4)C3)cc2F)C[C@@H](C)O1 917060066 LSQXBGFSDQTYEI-OPYAIIAOSA-N 460.594 2.294 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1cccc(Cl)c1)C2)c1cc(O)nc(O)c1 1777846541 NRNXMKCHUDOZJH-WZONZLPQSA-N 475.929 2.353 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC(F)(F)F)C2)C1=NN(c2ccccc2)C(=O)C1 1778126075 FZRHAGXUITXSPZ-DYESRHJHSA-N 466.460 2.246 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1coc(Cl)n1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126172 JIXYYHBWBSLVIR-WZONZLPQSA-N 485.928 2.248 10 20 JECD Cc1cc(/C=C/C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)no1 1779435455 LCVDPMPWTYTWQL-TZTFUPGCSA-N 491.548 2.303 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)c(F)cc3F)C2)C1 1781582675 ZFOPCAJBGIETNE-XMMPIXPASA-N 486.450 2.340 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1nccc3[nH]ccc13)CCO2 1782002229 SUIKBNJXWZOHEI-QFIPXVFZSA-N 456.886 2.385 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)c(F)c(Cl)c3)C2)C1 1785172055 YFVTTXTZQPTKAW-HXUWFJFHSA-N 453.829 2.182 10 20 JECD COc1ccsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1789077082 ADDZHQUNCKXHSE-KOSDZWPSSA-N 474.535 2.180 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCCC2)cc1 1792542806 JPWSJKLUTIGCCV-BRTYFSMRSA-N 450.583 2.393 10 20 JECD O=C(Cc1c[nH]c2ccccc12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1799125094 CYDUPSNSRRXIDK-SKPYDUSBSA-N 477.517 2.130 10 20 JECD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)sc1C 1799769011 JGRQEFRCWAJJAE-YWVIFJGQSA-N 451.932 2.342 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3c(F)cc(F)cc3[nH]1)C2 1802079665 QAHUYCULLZXKKY-LJHGLZDNSA-N 499.470 2.480 10 20 JECD CC(C)COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)ccn1 1804333447 LAYDBTMTAAUGPF-BJWYYQGGSA-N 476.624 2.229 10 20 JECD C[C@H](Cn1cccn1)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1804716771 RHWPGPPUFOJDBU-FZOAFFARSA-N 499.575 2.413 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)n1cccc1C=O 1807386667 DWOZXUQXYUDLNY-ZDPZECHZSA-N 463.494 2.083 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1807999737 FQIQUPGGOFBTJP-WZONZLPQSA-N 475.505 2.480 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)CC1 1808002647 XDCSNQJBZRGNBQ-UZLBHIALSA-N 497.552 2.265 10 20 JECD CN(C)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)nc1 1816219032 LVOYEPVDZTVZDM-INIZCTEOSA-N 487.611 2.037 10 20 JECD O=C(Cn1cccn1)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1817631153 QPAWCROAFQPJMG-BVBGJJFLSA-N 452.471 2.129 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)[C@@H]1[C@H]2COC[C@H]21 1823058026 ATOMMDOXCBNLPW-LQLPYNBSSA-N 462.510 2.087 10 20 JECD CC(C)N1CCC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)CC1 1823497431 VXEMOSDNNLETQN-KRWDZBQOSA-N 492.671 2.383 10 20 JECD CC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823706754 QJVSCFQQBNFQPM-AAEUAGOBSA-N 466.947 2.348 10 20 JECD O=C1CCc2ccc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cc(O)nc(O)c3)CC4)cc2N1 1824332174 XIRIRJKFCWXMMP-AWEZNQCLSA-N 479.518 2.374 10 20 JECD O=C(Cc1ccc(F)cc1F)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1825487751 KHSAMZCDYPXBSJ-GFCCVEGCSA-N 496.586 2.436 10 20 JECD COc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)ccc1[N+](=O)[O-] 1827833605 NSMJJYJIOYQKGS-GFCCVEGCSA-N 485.478 2.406 10 20 JECD CCn1nccc1C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828195301 KXVSJILOZHAFCM-FLUIGGAXSA-N 469.523 2.416 10 20 JECD COC(=O)CCCCCC(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828250436 SEFFHWCJKZZNQZ-LBPRGKRZSA-N 498.652 2.039 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cc3ncccn3n2)CC1 1828553013 KQQUMPZVNRPLKS-GOSISDBHSA-N 450.499 2.083 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)o1 1828922058 JCPBVPVATPXHEN-MRXNPFEDSA-N 492.623 2.332 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)C(C)C)CCO3)cc1 1830871785 BBVPTGUZRPPDOG-ZEQKJWHPSA-N 469.582 2.181 10 20 JECD Cc1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)ccn1 1832625389 JBTVCDSBNNNVPD-DEOSSOPVSA-N 489.956 2.157 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1ccccc1O 1834048009 PCQXPSQNAYOYTG-SOFGYWHQSA-N 481.549 2.408 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)cc1)CCO2 1838960743 BFUQPNIHTSVNLS-LHLOKTHNSA-N 488.924 2.240 10 20 JECD CC(C)(C)OC(=O)NCCCC(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843443305 VXTUALWXAUUBIN-UHFFFAOYSA-N 483.569 2.288 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3cc(-c4ccccc4)on3)cc2)C1 116418828 LBQVGMFOGCXJBI-IBGZPJMESA-N 461.522 2.090 10 20 JECD COc1ccc(S(N)(=O)=O)cc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565988 JPDCEECGLHCROY-UHFFFAOYSA-N 455.483 2.343 10 20 JECD Cc1cc(C(=O)CN2C(=O)N[C@H](CCS(C)(=O)=O)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 757915846 GJRCAQVQMOCVMF-QGZVFWFLSA-N 469.922 2.424 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(Cn4cncn4)c3)cc2F)C[C@@H](C)O1 918286626 JDILSVYZNXVPCI-CALCHBBNSA-N 466.517 2.334 10 20 JECD Cc1cc2nc(C)c(CCC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)c(C)n2n1 918333728 AOEXEHBCVCSYMQ-UHFFFAOYSA-N 455.584 2.138 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)COc3ccc(C=O)cc3)cc2F)C[C@H](C)O1 919040977 KMQRCFCUAAAIRL-IRXDYDNUSA-N 458.486 2.490 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NC[C@H](O)COc1ccccc1 919785465 ZOWWDTXPWYLSDC-FQEVSTJZSA-N 480.544 2.181 10 20 JECD CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)cc1 919806976 YGSIJGRIGDXECS-UHFFFAOYSA-N 481.596 2.034 10 20 JECD Cc1cc(C(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)c(C)n1-c1cccc(Cl)c1 920662521 PQNZEXFYLDZFES-UHFFFAOYSA-N 460.962 2.137 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CC3(CC(=O)N4CCOCC4)CCCC3)cc2)C1 1251133399 BBOWTWJJYHKOIO-OAQYLSRUSA-N 470.614 2.204 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCc3ccccc3N3CCN(C)CC3)CC2)cc1 1338575932 WBJKGVBDQRKRPL-UHFFFAOYSA-N 480.657 2.459 10 20 JECD CCN1CCC[C@@H](CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 1338637020 CDYAOPDJIFYZJT-FQEVSTJZSA-N 455.582 2.473 10 20 JECD Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)oc2ccccc12 1777752043 IIQPHXSKBCVDFH-JOCHJYFZSA-N 473.576 2.045 10 20 JECD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(O)cc1 1780732790 WYNQQUREHAOTMZ-ZCLJVBCSSA-N 455.511 2.130 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3nn[nH]c3c1)C2)c1cc(O)c(O)c(Cl)c1 1781123180 ZFZCKDJFSHNLAC-AUSIDOKSSA-N 485.928 2.464 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnc4cccc(Cl)c4c3)C2)C1 1782500226 DROUTVHLAMYKIS-HSZRJFAPSA-N 468.897 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1c(Cl)cccc1Cl)CCO2 1785545238 KTTVCJYARNOOHO-IBGZPJMESA-N 488.418 2.297 10 20 JECD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1786803044 WAGLWKPIWMDSGU-UHFFFAOYSA-N 452.427 2.045 10 20 JECD COc1cc(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)c(C)c1 1787294114 ABWFZOZSRVLWHZ-SNRMKQJTSA-N 455.511 2.025 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCCS4(=O)=O)C[C@@H]32)cc1 1790125967 CLRHTCQLWVTHKQ-TWDDROGUSA-N 499.633 2.265 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242170 QNFFNZDPVZPHBV-HTZUNMPGSA-N 488.924 2.316 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)CCc3cnccn3)CCC2)cc1 1792316306 ZCBUZIFFODQMGI-UHFFFAOYSA-N 469.592 2.404 10 20 JECD COc1ccc2c(CC(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CN3C(=O)CSC3=S)C4)c[nH]c2c1 1793174421 RFZRSBOZRYOLGY-MUJYYYPQSA-N 486.619 2.218 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1n[nH]c(C2CC2)c1F 1796932751 ZVCMDHPWSCZMSO-ACHSLPGTSA-N 464.501 2.471 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(Cl)sc1Cl 1798292024 LQIWYVWXOSJHRG-KEODLESXSA-N 458.323 2.378 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799769364 IGMLCAWCGUIJCJ-CULMDFNYSA-N 488.850 2.021 10 20 JECD Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)s1 1804331360 VKBRJISFSIJCGA-QDMKHBRRSA-N 451.639 2.488 10 20 JECD O=C1C[C@@H](C(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)CN1Cc1ccccc1 1805818790 GFUOZXCMVJIMIN-OAQYLSRUSA-N 492.576 2.386 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)[S@@](=O)c1ccccc1 1812355374 XUBOVLDKEAUCAV-LYPBZDTESA-N 494.573 2.404 10 20 JECD O=C(COc1ccc(F)cc1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1813723363 AVWMZZMLGHHTEJ-CYBMUJFWSA-N 458.471 2.393 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCC3)[C@@H]1c1cccnc1 1814163782 LVLUEMFGYKTSKJ-BHIFORQISA-N 489.532 2.374 10 20 JECD CCc1cnc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1814188853 BWPKVVKGTWTPHG-KDOFPFPSSA-N 489.648 2.280 10 20 JECD CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)C(=O)OC(C)(C)C 1817028163 YQSZOSWNHXGBBP-OAHLLOKOSA-N 474.518 2.389 10 20 JECD N[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cccnc1 1817411791 NVOACSOUPWURSY-WBVHZDCISA-N 451.487 2.007 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817846370 UKOPDGOAHPRUPW-CZUORRHYSA-N 451.487 2.417 10 20 JECD COc1ncc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cc1C 1832898464 NUIXFZJNHOHPCZ-SFHVURJKSA-N 490.651 2.492 10 20 JECD CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1834753429 KGYPNOUFDYLYJY-IOORJIKKSA-N 496.560 2.467 10 20 JECD Cc1scc(C(=O)N2CCOC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1C 1836525879 BCAGJDBYVALXPN-RUZDIDTESA-N 496.589 2.228 10 20 JECD CCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cn1 1837384178 NQELZWSEYUWWFE-UHFFFAOYSA-N 454.527 2.376 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)c3ccno3)CC2)CC1 1837459836 GMXHQNRMCOZDCW-UHFFFAOYSA-N 465.510 2.080 10 20 JECD Cc1ccncc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432115 BRXKUYYTIKKPKT-DEOSSOPVSA-N 489.956 2.157 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)n2ccnn2)CCO3)cc1 1839710577 NMETVEBBZWVRIY-RLWLMLJZSA-N 492.580 2.017 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccncc2-c2ccccc2)C1 1844588905 RDDBWOAPGRVHIN-UHFFFAOYSA-N 466.588 2.426 10 20 JECD O=C(c1cc(=O)c2ccccc2o1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034871 POCNTFOBQZZOEI-VQHVLOKHSA-N 462.458 2.440 10 20 JECD COc1ccc(N2CCC(NC(=O)CN3C(=O)N[C@@](C)(c4ccc(OC)cc4)C3=O)CC2)cc1 110356088 YXUZAERZGKPQBI-VWLOTQADSA-N 466.538 2.256 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3cnn(-c4ccccc4)c3)CC2)cc1 195707305 PEKNIJGIYGHDMG-UHFFFAOYSA-N 455.584 2.372 10 20 JECD COc1ccc(N2CCC(NC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 726626981 BGTLNGXDLXLCPB-UHFFFAOYSA-N 457.527 2.236 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CCNC(=O)c3n[nH]c4ccccc34)CC2)cc1 726879894 BCEJEWQWRMKIJK-UHFFFAOYSA-N 464.570 2.020 10 20 JECD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CCn3cc(S(N)(=O)=O)cn3)c2C)c1 749328531 RWDHYCWZODWXAL-UHFFFAOYSA-N 476.580 2.476 10 20 JECD CN(CCc1ccccn1)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 754398264 YKQICKCNYYZLCP-DEDYPNTBSA-N 484.603 2.302 10 20 JECD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCSCC3)cc2)c1 917386591 FKVIIVKVNGHWSM-UHFFFAOYSA-N 461.609 2.427 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)cc2F)C[C@H](C)O1 917918388 PBBOPKCXGLPZGM-HOTGVXAUSA-N 464.563 2.482 10 20 JECD COc1ccc([C@@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)N2CCOCC2)cc1 919790614 URKSUKGBKVFEIK-XMMPIXPASA-N 454.571 2.405 10 20 JECD C[C@H]1Cc2cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2N1S(C)(=O)=O 919969804 ZOBUYYZAPAMRGH-HNNXBMFYSA-N 461.559 2.427 10 20 JECD Cc1ccc(CNC(=O)c2nnc(COC(=O)c3cc(NS(C)(=O)=O)ccc3O)s2)cc1 920635599 ITVHAJHUUWANGB-UHFFFAOYSA-N 476.536 2.211 10 20 JECD C[C@@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1ccc(N2CCOCC2)cc1 920880425 IWVWTSGVYMLILO-GOSISDBHSA-N 499.637 2.470 10 20 JECD C[C@H](NC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 920920270 KVSLRJRCOSAEJV-WMZHIEFXSA-N 451.571 2.138 10 20 JECD COc1cncc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1782003461 JNPCJFYSVOGSCB-QHCPKHFHSA-N 475.929 2.231 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)o1 1783222345 OPGLGKBCCWWUOH-ZQPJQOKASA-N 499.520 2.196 10 20 JECD Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(C(F)(F)F)o1 1785509174 OSDLYMYYDANYER-GUWAZMKPSA-N 497.426 2.276 10 20 JECD COC(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(C)c1 1785511911 YUBKNHXEIUKVPU-ZWDKTXKMSA-N 496.516 2.055 10 20 JECD Cc1cccc(-c2ncccc2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)c1 1796138278 QLJVDMDXUZTBAD-BBIADKPPSA-N 474.517 2.380 10 20 JECD CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796307632 NREJBJVVENNUEJ-BAYUQKDNSA-N 474.602 2.094 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1[C@H]2Sc3ccccc3[C@@H]21 1797768210 HGJMWWKFMPVTPY-WDISSQSASA-N 494.569 2.294 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc3c(c1)OCO3)C2)c1cc(O)c(O)c(Cl)c1 1799770775 FWPQDUNZTXYFHS-MFKICJERSA-N 488.924 2.316 10 20 JECD O=C(CC12CCCN1CCC2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804289116 XKIKNKLMHFIORR-QGZGNFAASA-N 455.555 2.473 10 20 JECD COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1806587717 KTRLYDHJUMDNKX-WZONZLPQSA-N 498.630 2.199 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cncc3cnccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995635 SMRGJFYQGSTIJR-WAIKUNEKSA-N 470.489 2.464 10 20 JECD CC(=O)c1cc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n[nH]1 1808463641 DWTONISIISGKPK-KOSHJBKYSA-N 499.531 2.120 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)[C@H]1Cc2ccccc2O1 1809588687 SRIZESKHCDLNOF-XTQVGHSUSA-N 460.490 2.211 10 20 JECD CCc1cc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n(C)n1 1810923666 UJHHFFDECARGEL-DFBJGRDBSA-N 499.575 2.490 10 20 JECD CC(C)n1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)n1 1811583694 QNZAGBBRVGSCGJ-OXQOHEQNSA-N 486.623 2.039 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)n1cccc1 1813315248 RUDUHJAFXZHSAM-WRWLIDTKSA-N 471.608 2.010 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCc3ccccc3[C@@H]1O)CC2)c1cc(O)nc(O)c1 1816719964 BYWOTXPLRRYTCJ-ZJTDPSCFSA-N 480.546 2.471 10 20 JECD COc1ccc(OCC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1 1816720391 PRPXDZPXAVUUMU-ZDUSSCGKSA-N 470.507 2.263 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc[nH]c3nccc1-3)CC2)c1cc(O)nc(O)c1 1816725111 KPCAADHLJGUPRB-LLVKDONJSA-N 450.480 2.317 10 20 JECD O=C(Cn1ccccc1=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1817515578 ABKFMBAICIHABE-HXUWFJFHSA-N 487.520 2.057 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cc[nH]c3nccc2-3)[nH]n1 1823497291 CHLHDACIQOPZAH-HNNXBMFYSA-N 483.579 2.404 10 20 JECD CCn1nc(C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823497313 CIHOJZQGXVSVSW-CQSZACIVSA-N 475.600 2.101 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cccn3nccc23)[nH]n1 1823499509 KHLYSKZJSDNVSO-INIZCTEOSA-N 483.579 2.224 10 20 JECD O=C(/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1)NC1CC1 1823711005 QVALVCKJZVIRDY-FJOGCWAESA-N 476.942 2.268 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc[n+]([O-])cc1)CC2)c1cc(O)c(O)c(Cl)c1 1823712729 WCXIBZBLPSPWNJ-GFCCVEGCSA-N 460.899 2.381 10 20 JECD CN1CCCC[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828194960 FJXOPXAISHYHAC-NMUURSEASA-N 472.567 2.370 10 20 JECD Cc1nccn1CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828198365 YAUICLIKYSZVJH-UFZAZABTSA-N 469.523 2.090 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3[nH]ncc13)CC2 1828242858 SOUCVQICWGKBPP-JTQLQIEISA-N 486.604 2.106 10 20 JECD CN(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cn1 1832901330 SZWWTWBIOTXJBY-GOSISDBHSA-N 489.667 2.241 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1scnc1C1CC1 1834036967 CZSMXAVOMVAEOS-UHFFFAOYSA-N 471.583 2.326 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)cc1 1838338199 RSHJYFANUGGIMP-MHZLTWQESA-N 490.560 2.111 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)c3cc(CO)on3)CC2)CC1 1838556324 RNGZRFLJHNWYMN-UHFFFAOYSA-N 479.917 2.158 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)c4ccco4)C3)C2)cc1 1839348976 WUOULMAKSSAKJC-SHQCIBLASA-N 493.560 2.491 10 20 JECD C[C@H](C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2)n1cccn1 1846617484 BUXBBVBJNNNVNG-WIYYLYMNSA-N 496.612 2.366 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1846843749 ZOFJKRMPLYZUJE-UHFFFAOYSA-N 459.506 2.255 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(N2CCOCC2)n(C[C@@H]2CCCO2)c1=S 14215461 RAVXXGAFGBHBRU-QFIPXVFZSA-N 488.658 2.356 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 18225441 UVOKJVRNQBAWEC-UHFFFAOYSA-N 459.568 2.353 10 20 JECD COc1ccc(N2CCCN(C(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 108579763 JNZRETSGPSQEEV-UHFFFAOYSA-N 457.527 2.190 10 20 JECD CC(C)COC(=O)N1CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 725801064 QCFOOGWGSKTETO-UHFFFAOYSA-N 450.555 2.079 10 20 JECD COc1ccc(N2CCC(NC(=O)NCCNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 726702697 PAVXIICRAZWMDR-UHFFFAOYSA-N 491.570 2.387 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3nnn(-c4cccc5ncccc45)c3C)nc12 731379445 YJPQMWQFAGADIR-UHFFFAOYSA-N 473.449 2.406 10 20 JECD C[C@@H](OC(=O)c1ccc(CS(N)(=O)=O)cc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 746628544 MOSDCYXYYIGITE-CQSZACIVSA-N 492.509 2.435 10 20 JECD C[C@@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 756824096 FQVDPMZCBJXRIP-ZIAGYGMSSA-N 453.472 2.281 10 20 JECD Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C 904226092 KOQABKNJLWNLIS-UHFFFAOYSA-N 461.584 2.192 10 20 JECD COC(=O)CCNC(=O)c1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 918030005 JUTBYVOHNUMFJA-LJQANCHMSA-N 481.553 2.003 10 20 JECD Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)c12 918339279 DWGWPXUCVFZMGW-UHFFFAOYSA-N 453.568 2.319 10 20 JECD COc1cc(NC(C)=O)c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OC 918824660 KKZOTMQEPZGLRL-UHFFFAOYSA-N 489.500 2.111 10 20 JECD COc1cc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc(OC)c1OC 918850778 NJPDCIDPQCQZDM-UHFFFAOYSA-N 462.474 2.161 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3nc(-c4ccccc4)oc3=O)cc2F)C[C@@H](C)O1 918890469 XCTYTZDWYNNIPM-IAGOWNOFSA-N 498.511 2.116 10 20 JECD CC(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 919303481 AXFTZUIILJWWNC-UHFFFAOYSA-N 478.542 2.318 10 20 JECD Cc1cc(C(=O)COC(=O)Cc2ccc3c(c2)OCO3)c(C)n1-c1ccc(S(N)(=O)=O)cc1 919640834 FEDVBMQTBPNXQW-UHFFFAOYSA-N 470.503 2.439 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCC(=O)Nc2ccc(Br)cc2)c1 919818991 IJAHGENLMMVMOO-UHFFFAOYSA-N 456.318 2.285 10 20 JECD CC[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1)N(CC)CC 1778126845 LNPBSUKGLYDVJL-QHWMMSMNSA-N 497.640 2.414 10 20 JECD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1)c1ccccn1 1778127154 CHVZQUUXWTWOGB-AUZMWRNASA-N 489.576 2.492 10 20 JECD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(O)cc1 1780732788 WYNQQUREHAOTMZ-OFJJYEOVSA-N 455.511 2.130 10 20 JECD O=C(CC1Cc2ccccc2C1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1783303216 XCYXDGJDXUQWSH-QFQXNSOFSA-N 465.550 2.425 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4c(F)cc(F)cc4[nH]3)C[C@@H]21)c1cc(O)nc(O)c1 1787291978 MEMUGMCYALJFLV-LLJZQGTPSA-N 472.448 2.159 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)C[C@@H]21 1792219378 ULYDAVCMXRDEAN-KCBZAUGUSA-N 466.481 2.232 10 20 JECD O=C(/C=C/c1ccc(OC(F)(F)F)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1795395040 CROYLIMDMRIHFM-NCLGQRILSA-N 493.438 2.308 10 20 JECD COc1cc(/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)cc(OC)c1OC 1796602900 YSMPHFBJMFZNNC-WWCSPDMBSA-N 483.521 2.484 10 20 JECD COc1ccc([N+](=O)[O-])c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)n1 1797211209 JNYATOQLYPRNCQ-ACHSLPGTSA-N 492.492 2.043 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nn[nH]c1C(F)(F)F)c1cc(O)c(O)c(Cl)c1 1799441183 LXQOTWZRYVAKEN-ILWJIGKKSA-N 459.812 2.454 10 20 JECD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)ccc1F 1799770118 HYLGGISKQSBEMI-HBCWATKFSA-N 464.877 2.416 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC2(CC1)OCCO2 1801504717 NOBFFXVZAWOSAH-XWXKOERESA-N 472.538 2.388 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)cc1)C2 1802080500 QUKVWOPTVYCUID-VYBCAQGZSA-N 458.898 2.373 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ncsc1Br 1804333450 LDEIIWSEGCRGDF-ILWJIGKKSA-N 489.442 2.018 10 20 JECD CCOC(=O)O[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1812368975 VJQHZWIEKLIYLW-OVEDZIDSSA-N 499.520 2.479 10 20 JECD O=C(/C=C/c1cccc(O)c1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1812729482 FXGWIIMRNSFQSG-KUSROVSMSA-N 496.614 2.367 10 20 JECD CC(C)OCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162959 ZUKKXBIEQKFBND-XZSBDORCSA-N 455.511 2.343 10 20 JECD Cc1ncccc1CCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814185380 QJAZNVVFWJPXJC-CVDCTZTESA-N 497.646 2.284 10 20 JECD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1814189818 ZTNCFMPIZZTZCT-KDOFPFPSSA-N 475.621 2.026 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc(F)nc1F 1814335116 CAFXVSUGQXIAKU-GFCCVEGCSA-N 480.522 2.249 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3nccc4occc34)sc2C1 1815930260 UUGXKVAEIAQLGV-JTQLQIEISA-N 487.588 2.370 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728080 HFGDLPVBXJZXLX-LBPRGKRZSA-N 477.543 2.090 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cc2ncccn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146185 VHHDZSFUUZGFSB-IBGZPJMESA-N 472.509 2.227 10 20 JECD Cc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)o1 1827089474 BYVHVTPDSBZWOC-NSHDSACASA-N 464.594 2.060 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)COc1ccccc1F)CC2 1828249493 IMBRIFGZMRVBAM-NSHDSACASA-N 494.595 2.134 10 20 JECD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)n1cncn1 1832212852 XBDGDMPWCPOVQO-IESGORFISA-N 469.542 2.289 10 20 JECD Cc1cnn([C@@H](C)C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1 1832899214 BILJPAUCSHPDQQ-FUHWJXTLSA-N 477.656 2.233 10 20 JECD Cc1nn(CCC(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)c1[N+](=O)[O-] 726646973 GJZBQOOTSJRVJA-HUUCEWRRSA-N 491.520 2.411 10 20 JECD CN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)c1 727250375 JLFUZGFJFGCLBX-UHFFFAOYSA-N 455.525 2.288 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3cccc(CN4CCOCC4)c3)CC2)cc1 727753572 WEIWXGSYQOJCRI-UHFFFAOYSA-N 452.599 2.470 10 20 JECD COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 746990871 UDMBZDRIHLSUGT-LJQANCHMSA-N 496.564 2.217 10 20 JECD NC(=O)C1CCN(c2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2)CC1 749023181 HDMLSXXGRIFXLJ-JOCHJYFZSA-N 480.565 2.240 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C[C@H](NC(N)=O)c3cccc(C)c3)CC2)cc1 914446342 WZCSIGCZGZWCPS-QHCPKHFHSA-N 453.587 2.432 10 20 JECD COC(=O)c1ccc(CS(=O)(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 915219674 HNDVAZWIIMDJJN-UHFFFAOYSA-N 461.584 2.114 10 20 JECD CN(C)c1ccc(CN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C2CC2)cc1 917073862 FDIPFHCUURGSTO-UHFFFAOYSA-N 474.602 2.389 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)cc2F)C[C@@H](C)O1 917710486 JJZHAEODBHMYDU-COLOXBMXSA-N 480.540 2.449 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 918442404 GHOCVKNKJWFXQN-UHFFFAOYSA-N 450.539 2.042 10 20 JECD C[C@@H]1Oc2ccccc2N(CC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1=O 919699356 MALFCPINOHNIER-SFHVURJKSA-N 490.539 2.373 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC3(N4CCOCC4)CCCCC3)CC2)cc1 920254523 OUZDWVLPQQZLTP-KTKRTIGZSA-N 470.614 2.051 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc(OCC(=O)N(C)C)cc3)CC2)cc1 920254684 MRSGXSNUHFDAJI-SEYXRHQNSA-N 466.538 2.006 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)c1 920637082 YXKGNBRSQHMWHJ-INIZCTEOSA-N 473.463 2.484 10 20 JECD C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)c1ccc(N2CCOCC2)cc1 920881711 XHGOGGLLBORMCK-QRWLVFNGSA-N 458.946 2.028 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1ccc2cnccc2c1 1778611389 LPEWTCVDKAZNOE-NTKDMRAZSA-N 498.630 2.223 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(C)C(=O)CC4)CCO3)C2)cc1 1781750811 JYUUXBYMFPYZHA-AREMUKBSSA-N 477.565 2.146 10 20 JECD CC(=O)Nc1ccccc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007341 FPALSXQNGWEQIK-HSZRJFAPSA-N 473.913 2.467 10 20 JECD Cc1cc(Br)c(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc1F 1782144438 JZZWZIXVIKNHOZ-OAQYLSRUSA-N 494.317 2.460 10 20 JECD Cc1cnc(Cl)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c1 1783245764 BAQQSQFKRZEAJD-QVKFZJNVSA-N 497.042 2.031 10 20 JECD CC(C)[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1)c1ccccc1 1785539798 PFWKHMWSWSNKHC-OFNKIYASSA-N 475.636 2.116 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc(F)cc(F)c3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539080 LHMXSFVJBGCYIB-HYVJGQCMSA-N 496.514 2.280 10 20 JECD Cc1nc2ncccn2c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1787982161 LEPXKEAVTSORPS-YEWWUXTCSA-N 485.928 2.009 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccn2ccnc12)C1=NN(c2ccccc2)C(=O)C1 1798115403 ZCAOXKPAWCWWBK-GGPHIMKMSA-N 456.506 2.379 10 20 JECD CN(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cc1 1799768852 BSHGBGQVSVFCMM-CWPLJXCYSA-N 459.930 2.334 10 20 JECD COC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1802601141 IZDQVSHUMCSYDM-DTLVDHMJSA-N 455.511 2.343 10 20 JECD CC(C)(C)NCC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1807094559 AQMNKIDEHMRPEP-YADARESESA-N 476.581 2.268 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cn3ccsc3n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994801 BUWDUTHGARTZMW-LIRRHRJNSA-N 464.507 2.230 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccc2nccn12 1812173999 BCKHKUBFPOXGIG-OPAMFIHVSA-N 458.478 2.169 10 20 JECD O=C(CCNC(=O)c1ccccc1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1814023816 RODSTTPBJUOLRA-CYFREDJKSA-N 489.532 2.028 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CNC(=O)CNC(N)=O)[C@H]2c2cccnc2)cc1 1814228372 QSDSJYZVJWWFOF-ZJSXRUAMSA-N 474.565 2.477 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C1CCC3(CC1)OCCO3)CC2)c1cc(O)nc(O)c1 1816729295 RSWAZBVUKBVKJU-CQSZACIVSA-N 474.539 2.108 10 20 JECD Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)c(C)n1 1821090239 YXQFWVYIBVPORR-GFCCVEGCSA-N 475.621 2.241 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cc2cccnc2nc1O 1821424346 YUJHVSCPCQVTRG-MRXNPFEDSA-N 475.465 2.484 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)COc2ccc(O)cc2)[nH]n1 1823496537 JSOPRFSTIYAYGW-MRXNPFEDSA-N 489.579 2.047 10 20 JECD CCc1nc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)co1 1823500027 KOARHMOJYOSWTB-ZDUSSCGKSA-N 462.557 2.126 10 20 JECD C[C@H](CC(N)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1824592540 NZIFRLJKKWHUSB-DYVFJYSZSA-N 451.951 2.496 10 20 JECD Cn1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)c1=O 1824721501 SZFLHXUDVUQZAF-CSNYQSHPSA-N 481.549 2.449 10 20 JECD CC(C)N[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)C(C)C 1827032655 STTDNIMELPOLIY-NQIIRXRSSA-N 482.716 2.489 10 20 JECD O=C(Cc1ccc(O)cn1)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1827049310 BBBDZGRJKRWINL-HNNXBMFYSA-N 490.545 2.191 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900470 ULQDGCGOSUKRPO-HKUYNNGSSA-N 482.716 2.444 10 20 JECD COc1cc(OC)cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834988756 LCCGWQXBBBOHDE-UHFFFAOYSA-N 484.553 2.009 10 20 JECD CC[C@H](C)[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1)c1ccccc1 1836418027 VOWCTTVEUAPIOX-WMDMVVLCSA-N 483.565 2.393 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CCCCC1)CCO2 1836618465 MYDXZDDIQGWPKB-OAQYLSRUSA-N 470.925 2.494 10 20 JECD COc1ccc(F)cc1CC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031907 ZTWOHUFGLVHAGP-UHFFFAOYSA-N 487.528 2.495 10 20 JECD Cc1cccc(F)c1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840652409 LHINOTNKJYDVHD-VQEXNLMWSA-N 486.496 2.034 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cnc(C(F)(F)F)cn2)C1 1843211934 LTBMBLNXXDKUHA-UHFFFAOYSA-N 472.427 2.105 10 20 JECD O=C(c1ncc(C(F)(F)F)cc1Cl)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056236 WQURCPZVRXIZJF-UHFFFAOYSA-N 492.932 2.431 10 20 JECD CN(C)c1ccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)cc1 24378574 FAMGLYIARMSMNX-IBGZPJMESA-N 496.427 2.365 10 20 JECD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(N4CCCS4(=O)=O)cc3)n2)c[nH]1 727245721 GHWHJNQJNFVYGD-UHFFFAOYSA-N 482.565 2.266 10 20 JECD Cc1oc2ncn(C)c(=O)c2c1C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 750517969 RXKDLJSKMLAJLN-UHFFFAOYSA-N 471.425 2.406 10 20 JECD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 914438435 XTFCLVNFIREESS-SUCHYCSPSA-N 499.705 2.061 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H]2CCCCN2c2ncccn2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 914665157 LNAVMJHTUJEEGV-NRFANRHFSA-N 497.577 2.317 10 20 JECD O=C(COC(=O)CC[C@@H]1CCCO1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 914972748 VTYLMYFHKSSNAK-LZNAANCOSA-N 492.575 2.235 10 20 JECD O=C(COC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)NCc1ccc(N2CCOCC2)c(F)c1 917268589 VZPBQKNAHXRYHC-UHFFFAOYSA-N 482.512 2.000 10 20 JECD CCN(CC)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 918111548 OPACNWQNKXPVPH-UHFFFAOYSA-N 458.628 2.464 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)C1 918116827 AYVJCORTSUXOMX-LJQANCHMSA-N 466.542 2.328 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cccnc3OC(C)C)CC2)cc1 918250385 QSIVQQVEOYPKEX-UHFFFAOYSA-N 455.559 2.144 10 20 JECD NC(=O)CCOc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918278089 RWNXRRLFEVJARD-UHFFFAOYSA-N 494.470 2.051 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(Oc4cnccn4)c3)cc2)C1 918466068 YEVKYWDBFRADAN-SFHVURJKSA-N 474.521 2.226 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(=O)n(-c4ccccc4)n3)cc2F)C[C@@H](C)O1 919077163 CUIWIJKUYZNEER-HDICACEKSA-N 494.523 2.458 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)C2CCCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 919353008 GCFPURFHKOGLID-HNNXBMFYSA-N 475.567 2.162 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(CN4CCN(C)CC4)c3)cc2F)C[C@@H](C)O1 920188154 DXDLXLTWLOGJCC-WOJBJXKFSA-N 497.615 2.442 10 20 JECD CS(=O)(=O)Nc1ccccc1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 1115878746 IDUHGTABSZFQBU-UHFFFAOYSA-N 450.536 2.158 10 20 JECD CNS(=O)(=O)c1ccc(Br)c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 1248437307 COOCYWZJUZNLGO-UHFFFAOYSA-N 498.399 2.239 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@]1(F)Cl)C2)C1=NN(c2ccccc2)C(=O)C1 1778127377 KFIGGXVLFZDEAF-GYVGSTJSSA-N 476.936 2.218 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnc(O)nc2O)CCO3)cc1 1781754260 XFDAJYFUKPORIW-RUZDIDTESA-N 477.521 2.053 10 20 JECD CC(=O)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781755444 MYLCOCPLBHKWOL-VWLOTQADSA-N 452.555 2.064 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)C2)C1 1782861350 XRESQVSCRYVTOO-NYHFZMIOSA-N 494.038 2.060 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cncc2cnccc12 1789173203 TYGVIVBFJZBTAF-OTTFHORNSA-N 490.516 2.053 10 20 JECD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)ccc1O 1789603398 YKVHYBKUYJUZEX-KPHUOKFYSA-N 476.913 2.373 10 20 JECD Cc1cc(F)cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1 1791364229 QRLKQPJAKNAMBJ-PLPLBJBOSA-N 484.524 2.487 10 20 JECD CN1CCCC[C@H]1C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792314499 FILUSOQHZLQYQD-KRWDZBQOSA-N 460.625 2.465 10 20 JECD CCSc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796479134 HQYQCQJNPRNULK-FAQVEIGNSA-N 493.589 2.190 10 20 JECD COc1c(Cl)cccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1803767993 RIYUSJZJYYZHJN-CLLJXQQHSA-N 468.000 2.461 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)CC1 1803906726 HFHZEVFHEXGKFZ-MUUPZMKNSA-N 482.537 2.187 10 20 JECD O=C(CCc1cc(F)ccn1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804446724 LQCBEQFWPKMIQL-QMHKHESXSA-N 465.485 2.374 10 20 JECD COc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(O)c1 1811751700 NSRGQGBENCSDIE-OYHNWAKOSA-N 464.478 2.235 10 20 JECD O=C(Nc1cccnc1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811805862 FARYXXXOBQMJKE-QRWLVFNGSA-N 495.923 2.500 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)CCc2ccoc2)[C@@H]1c1cccnc1 1814191046 GJUFFQKPAORPNZ-LAUBAEHRSA-N 472.592 2.174 10 20 JECD O=C(CCc1cncnc1)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1815531557 XMOGEUUMELTDEH-INIZCTEOSA-N 489.561 2.271 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816726411 VXJNQTAAGUOMSJ-YPMHNXCESA-N 454.512 2.071 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(N3CCOCC3)cc1)CC2)c1cc(O)nc(O)c1 1816726445 YYQSBDSHLFFXAJ-INIZCTEOSA-N 495.561 2.326 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)[S@@](=O)c1ccccc1 1816728989 OVDFPQMILIUIFT-YIRJOAKNSA-N 486.575 2.371 10 20 JECD CCC1(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)COC1 1817362551 ZDEWFFHRTPDKBF-AWEZNQCLSA-N 467.551 2.275 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817845113 ZXUYEYCZVDMWNO-DYVFJYSZSA-N 451.487 2.417 10 20 JECD C[C@@H](Cn1cncn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146741 AUBBWSXTSNJFJT-JXFKEZNVSA-N 489.540 2.123 10 20 JECD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822357456 JKYWFSLLWTZIEW-INMHGKMJSA-N 469.498 2.277 10 20 JECD CCc1[nH]nc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c1F 1823497208 SIATWZURGBNAHN-GFCCVEGCSA-N 479.563 2.001 10 20 JECD COc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)ccc1O 1823500225 WZBWOIZRRJUGSW-CQSZACIVSA-N 489.579 2.290 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)CC1 1827580249 YHSIBMDYIOHIHR-WSSFADSRSA-N 454.527 2.402 10 20 JECD COc1cc(F)ccc1C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828249505 IRJMOPJKOHLCEP-NSHDSACASA-N 494.595 2.377 10 20 JECD CCOC(=O)O[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1831139093 BCVRZMXJOBGGEI-GDBMZVCRSA-N 485.628 2.028 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)[C@H](O)c1ccco1 1833088604 WBPOAFLTJNBTQC-OAQYLSRUSA-N 477.945 2.263 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cnc4c(Cl)cccn34)CC2)CC1)c1cc(O)nc(O)c1 1834986916 JHQWYHDNVMVEFM-UHFFFAOYSA-N 498.971 2.293 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)cn1)CCO2 1837899541 JYZIZVJREDTJPH-OAQYLSRUSA-N 482.320 2.183 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3snnc3C3CC3)CC2)CC1 1838031583 ROQJEGCEBSEKGY-UHFFFAOYSA-N 473.555 2.148 10 20 JECD C[C@@H](Cc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881144 FFLSRCPWIDJWST-DTDXPTDKSA-N 496.560 2.152 10 20 JECD COc1ccc(N2CCCN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 108581393 BYNUSPUPXLEYOM-UHFFFAOYSA-N 489.594 2.264 10 20 JECD CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 729049161 GUBLZUFMKZOYHB-OALUTQOASA-N 463.598 2.135 10 20 JECD CCCCN(C(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)[C@H]1CCS(=O)(=O)C1 913223725 DHLVIZVQKJVOFY-HNNXBMFYSA-N 498.557 2.017 10 20 JECD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 917833144 MHQORFRACOCKSP-HXUWFJFHSA-N 472.611 2.349 10 20 JECD COc1ccc(NC(C)=O)cc1NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918438505 GBAXJKKHWBYLCS-UHFFFAOYSA-N 458.490 2.009 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)CC2)cc1 918461816 NDOLZNQZBNWSBW-UHFFFAOYSA-N 461.522 2.337 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 918643042 IECBRYONNFRTDV-FQEVSTJZSA-N 470.595 2.482 10 20 JECD C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2)C[C@@H](C)O1 919766547 CMQWTOBXSJBFGO-RTBURBONSA-N 473.595 2.251 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 919968623 KOFHMYUSXYECFT-HXUWFJFHSA-N 465.550 2.336 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cn4ccc(Cl)cc4n3)C2)C1 1778061392 IGAODSJMHHJNLD-UQPVFDRXSA-N 498.923 2.261 10 20 JECD COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c(C)c1 1780514814 ZDYLSNQPHALLRI-NTKDMRAZSA-N 455.511 2.251 10 20 JECD CC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1780986338 JHIHKSWVOGHYCM-ZEQKJWHPSA-N 466.582 2.358 10 20 JECD Cc1nc[nH]c1CSCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782006958 CELXJOHKJAYBGN-NRFANRHFSA-N 480.974 2.160 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1782008211 SRWHXOWLZSHWIE-QFIPXVFZSA-N 456.886 2.156 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccsc1)C2 1783245795 CGXXUTKGZUVFHR-IIBYNOLFSA-N 481.665 2.055 10 20 JECD CC(C)C1(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)CCC1 1784857821 IVJBTWBSTFPNHA-XMMPIXPASA-N 452.555 2.436 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccnn1-c1ccccc1)CCO2 1785505488 JUMWVJWNXUSEJU-QGVYAHRCSA-N 490.516 2.146 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)CSc1ccccc1)CCO2 1785508306 DQTRBXANQHNZFI-UMESLIDUSA-N 470.547 2.439 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3ccc4ncnn4c3)cc2)CCC1 1789388672 IMJBQJBAQKRHKS-UHFFFAOYSA-N 480.575 2.337 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c(C2CC2)c1F)C1=NN(c2ccccc2)C(=O)C1 1794813986 NXCMDDCWTCRJKR-ACHSLPGTSA-N 464.501 2.471 10 20 JECD Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1799560723 FNKKOTMNSJRFHW-CPVVTZALSA-N 456.470 2.168 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1cccc(N2CCOCC2)n1 1804285747 BOZZVMXMHMNWQL-ASYHBGTLSA-N 494.548 2.000 10 20 JECD O=C(Cn1ccccc1=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1807443059 SIGWSSCREDTUCM-AOMKIAJQSA-N 482.924 2.328 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807996080 XKZQYWFOZPTIOQ-YJYMSZOUSA-N 490.442 2.274 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1807999735 FQIQUPGGOFBTJP-MBSDFSHPSA-N 475.505 2.480 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1808431040 FMYAVRDJWOHHQT-JOTOCRJQSA-N 474.945 2.333 10 20 JECD Cc1nnsc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808467302 FJSKFZMJPQPBBH-UWJYYQICSA-N 489.561 2.354 10 20 JECD Cn1cccc1C(=O)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808470169 TYEOPZDEVGNJDY-YADARESESA-N 498.543 2.102 10 20 JECD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n[nH]1 1810423065 WNKPLINGECZGOY-CLOONOSVSA-N 485.548 2.155 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cc(O)ccc1F 1810926648 ZWZXOHFBUXADKT-VBKZILBWSA-N 488.566 2.106 10 20 JECD C/C(=C\c1cccnc1)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1813396357 WBLQUCFMKYPMDM-WFCRQVQFSA-N 495.630 2.446 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CC(F)(F)C(=O)O)[C@H]1c1cccnc1 1814163685 IEDFPRWHARFMAE-ZIPBJVRUSA-N 491.447 2.028 10 20 JECD O=C(Cc1cccnc1)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1815696519 OFPQKKNJMHRTFY-MRXNPFEDSA-N 474.546 2.486 10 20 JECD O=C(CCc1ccccn1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816009439 BZMWNCWSERQLGB-MRXNPFEDSA-N 472.596 2.290 10 20 JECD Cc1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)co1 1817364795 ZJEFKXFKTGWEND-CYBMUJFWSA-N 464.507 2.458 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)Cn2ccccc2=O)[nH]n1 1823475022 ITMXXBKWRBNZQM-SYJIQKIWSA-N 479.493 2.094 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ncccn2)CC1 1825322209 VLGHHAOSCIIRQY-FNQPIQQGSA-N 466.538 2.469 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716810 WTAUZSMIGVHFPF-MBSDFSHPSA-N 481.597 2.266 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3CCCOC3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1828184951 PIPHJIOMBAAILC-CABCVRRESA-N 467.551 2.275 10 20 JECD Cc1nccn1CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899943 PDUQKAIAAGGDBS-LJQANCHMSA-N 491.683 2.452 10 20 JECD Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cc(O)n1 1832902478 NRQOIEWCUOQRPW-KRWDZBQOSA-N 476.624 2.189 10 20 JECD CC(C)(C)n1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)n1 1833588546 HJHAGZFICZCEMF-QHCPKHFHSA-N 492.960 2.087 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)ccc(O)c1F)CCO2 1839412039 YLYRVCGFQSXWOR-JOCHJYFZSA-N 498.866 2.119 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(C)n1 1839433304 FFJNGWTXZFLTGE-QHCPKHFHSA-N 475.929 2.147 10 20 JECD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1cccs1 1840881897 UWUYFBUEHOWXIE-HZVYXHIASA-N 488.562 2.138 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)CCc2ccccc2Cl)C1 1842755279 PZKNRIMETSWNJK-UHFFFAOYSA-N 452.001 2.336 10 20 JECD O=C(Cc1ccc(Br)nc1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442322 ADDBAXJFWDQVFM-UHFFFAOYSA-N 496.365 2.383 10 20 JECD CC(C)COc1ccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 726976981 UBUDXDDMWOZBQC-UHFFFAOYSA-N 452.598 2.435 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(CCNC(=O)c3ccccc3F)CC2)c1 731207214 LECKFWMWPZSCRP-UHFFFAOYSA-N 498.599 2.114 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(c4ccc(Cl)cn4)CC3)CC2)cc1 742940804 YIMAJNPBRFTOBU-UHFFFAOYSA-N 458.994 2.397 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC3CCN(C(=O)c4ccoc4)CC3)cc2)C1 918117832 KLHMQHRKZQWDEA-SFHVURJKSA-N 453.543 2.085 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)N3CCC(C(=O)N4CCN(C)CC4)CC3)cc2F)C[C@@H](C)O1 918219426 BOFZQRUJHMPICD-KDURUIRLSA-N 475.609 2.135 10 20 JECD Cc1nc(-c2ccccc2NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)no1 918437392 GODGRGDOIJVUNR-UHFFFAOYSA-N 453.474 2.400 10 20 JECD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)C2CC2)cc1 918455781 DSHIJJRYJDKLTQ-UHFFFAOYSA-N 464.566 2.284 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 919970441 CFCVRBPKLXUZNM-IBGZPJMESA-N 481.524 2.492 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cc(F)c3)C2)C1 1780821699 LPKXPPRFYCHNRA-ZGVNINRLSA-N 460.433 2.239 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)C1CCC(CO)CC1 1785054745 CLIGUJKFSMCXAG-LXXJZYINSA-N 466.962 2.143 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccncc1Cl)CCO2 1785506674 DJBJFIWJUNMIBJ-YSNSILARSA-N 459.886 2.009 10 20 JECD CO[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1785509534 URXXFBVDSUYDSX-HOOCNNEISA-N 468.506 2.034 10 20 JECD CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cc(C)n1 1787731829 OQGSGKVJLJSTQS-WWJWVQJMSA-N 481.549 2.376 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@@H]1CC(=O)N(C2CCCC2)C1 1796930895 IVQMWNFEIDZGFO-RPHTVSPISA-N 491.592 2.209 10 20 JECD Cc1nc2sccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1797546203 ONOXNTUJIOYAQD-YWVIFJGQSA-N 476.942 2.286 10 20 JECD CN(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2)c1ccccc1Cl 1801407853 RIOQBZHASMIIGN-YYQBIWNASA-N 495.070 2.441 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1803932852 VZCRXSICCFWGQA-YRISNDGFSA-N 497.552 2.217 10 20 JECD COc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c(F)c1 1804333870 ZYZDBUSJZOFOKX-MUJYYYPQSA-N 479.599 2.265 10 20 JECD CN1CCCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162482 SRJBUHSLZXKQAG-IEELULIMSA-N 480.565 2.402 10 20 JECD Cc1ccn(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)n1 1815954298 TVSVXEUHBKLQPN-FQEVSTJZSA-N 474.525 2.400 10 20 JECD Cc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)cn1 1817364223 QLXWPRIJZQSIOT-HNNXBMFYSA-N 475.534 2.260 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(F)c2)CC1 1824725136 MDLSFSBJYLPRSJ-MRXNPFEDSA-N 464.588 2.314 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnn3ncccc13)CC2 1828199152 MUPZTPQKTNYHEV-GBVBUYCNSA-N 492.517 2.242 10 20 JECD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)n1ccnn1 1832878662 YDPPWADMUIAWMT-NRUXISPGSA-N 469.542 2.289 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cncn4C)C3)C2)cc1 1839348732 JDILUKUPXVBANN-AREMUKBSSA-N 477.565 2.211 10 20 JECD C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)CC=CCC1 1840559901 VTZWXUMMXQTRSI-HLZMXQRRSA-N 472.538 2.019 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1841775467 SNIWWDHEOJRPBL-QFIPXVFZSA-N 460.531 2.099 10 20 JECD O=C(c1cn2cc(F)ccc2n1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441820 QVXMDOHMFBIQBZ-UHFFFAOYSA-N 460.469 2.083 10 20 JECD O=C(CCc1ccc2c(c1)OCO2)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441947 KAEUDZJXKAPZRE-UHFFFAOYSA-N 474.517 2.344 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCc2ccc(I)s2)c1 303117611 DPHDKJSBCFHJAD-UHFFFAOYSA-N 466.322 2.402 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 728307194 PEWQMNLKUSKBTA-UHFFFAOYSA-N 455.895 2.154 10 20 JECD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3cc(OC)ccc3O)CC2)o1 728978107 MHABTEAOESYZOM-AWEZNQCLSA-N 480.539 2.449 10 20 JECD C[C@H]1COCCN1CCNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 729386135 QBAWNLJCWZXNSN-ATTDUZETSA-N 484.441 2.487 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc1F 731408909 ZVQKOJDICRMNLE-UHFFFAOYSA-N 450.536 2.143 10 20 JECD COCCOc1c(Cl)cccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 743390989 LJFVWKNMJGUNDI-KRWDZBQOSA-N 488.972 2.322 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)c2C)cc1C 914656562 UOIDHPJUWQNRAF-PZJWPPBQSA-N 486.590 2.472 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)CC2)cc1 915266168 DEBQRIOOCOUGNX-OAQYLSRUSA-N 457.619 2.251 10 20 JECD O=C(CN1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1)N1CCCCCC1 916625690 PMWBPEXCJJQZPJ-UHFFFAOYSA-N 459.660 2.470 10 20 JECD CC(C)(C)NC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 918464445 WBOASUXNMJQIHD-LJQANCHMSA-N 479.581 2.172 10 20 JECD O=C(COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)NCc1ccc(N2CCOCC2)c(F)c1 919036547 FJRYODPDXLNNKA-XMMPIXPASA-N 485.537 2.451 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)cc2F)C[C@@H](C)O1 919660611 VRTCFQIXDXSHEO-OKILXGFUSA-N 456.474 2.025 10 20 JECD C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 920879856 WBLVLBKKXGKNGH-SFHVURJKSA-N 459.568 2.035 10 20 JECD CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 920881838 QRLLAMLSFBUPTJ-GOSISDBHSA-N 461.584 2.468 10 20 JECD Cc1noc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=S)N(CC(C)C)C3=O)cc2)c1C 920976715 QOUVCTRJGLBJIB-CXUHLZMHSA-N 477.568 2.287 10 20 JECD CN(Cc1ccccc1)C(=O)N1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 921122462 JOQOVPNGWDKYHI-HSZRJFAPSA-N 492.624 2.468 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cnc(Cl)c(Cl)c1 1788872406 BONIZMMDOOQZQO-XEGUGMAKSA-N 467.309 2.102 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cc(F)ccc4n3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790244969 IEALDKYRPBFIAC-ODYMNIRHSA-N 488.903 2.445 10 20 JECD CCc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1Cl 1795905556 OKKBKCYBEPSKOG-CULMDFNYSA-N 469.325 2.207 10 20 JECD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)cc(C(F)(F)F)c1 1796140067 AEYHTALLNXSUCJ-HBCWATKFSA-N 481.427 2.037 10 20 JECD CC(C)(C)OC(=O)NCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796599016 XDKHCMLUFDSAOX-BJWYYQGGSA-N 462.547 2.440 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1ccnc1)C2 1796748738 HDCCQPSJHCQDPG-CIAFKFPVSA-N 496.612 2.240 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2CCC3(CC2)OCCO3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807997599 BKHXOQJJVOGAMG-AVRDEDQJSA-N 482.537 2.141 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)nc2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469573 PMTXESLGMQYCCW-MHECFPHRSA-N 484.516 2.295 10 20 JECD O=C(/C=C1\C(=O)Nc2ccccc21)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810186339 BKMZKEOEGASUMS-MAFPCSMASA-N 485.500 2.243 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814189384 GNOCXFCNIMJRRV-PERKRYKHSA-N 497.646 2.222 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1822164774 PSYVXVCMKXGKKX-JTJQLJSMSA-N 488.504 2.432 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(CO)on1)CC2)c1cc(O)c(O)c(Cl)c1 1823712300 CUOCKRWCOAPLSW-VIFPVBQESA-N 464.887 2.228 10 20 JECD COC(OC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1824340857 XTPMCAWKUCLEOG-HXUWFJFHSA-N 456.543 2.018 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1824528248 WJRNBWQMQDBFRN-JBCHAPISSA-N 494.610 2.117 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccns2)CC1 1825681221 NSNNIYIKSDSRFG-AWEZNQCLSA-N 452.627 2.237 10 20 JECD Cn1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c(C(F)F)n1 1827932993 JBRMLHVAYFRBGU-OAHLLOKOSA-N 499.609 2.451 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3ccoc3c1)CC2 1828244622 LQNBDBMUARNQAZ-LLVKDONJSA-N 487.588 2.370 10 20 JECD O=C(c1cnc(O)nc1O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830736438 DFSUKJJNAXZCJB-INIZCTEOSA-N 476.917 2.500 10 20 JECD Cc1nn(C)cc1C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836965857 DCCYNNLXARKBGS-UHFFFAOYSA-N 492.580 2.134 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)[C@@H]3CCC=CO3)CC2)CC1 1838110508 RSGMSYUGEPMQRV-QHCPKHFHSA-N 480.565 2.471 10 20 JECD Cc1c[nH]c(C)c1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432585 QXKYOBHMKUDIQM-DEOSSOPVSA-N 491.972 2.399 10 20 JECD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccccc1 1840881838 QJFJGQOWGWGYSB-ZLGDRYJUSA-N 482.533 2.077 10 20 JECD Cc1cccc2c(C(=O)N3CCCC34CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)n[nH]c12 1845690722 WYTYGQPIDWTEAN-UHFFFAOYSA-N 456.506 2.481 10 20 JECD CCN(CC)[C@H](C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2)c1ccccc1 1845840872 JOHFTOVWAXBALD-FQEVSTJZSA-N 474.652 2.133 10 20 JECD COCCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 109702005 BOTBKNKNJNDLEF-QFIPXVFZSA-N 475.611 2.499 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CN(C)C(=O)OC(C)(C)C)cc2F)C[C@@H](C)O1 727893797 PZORHMVAYXDKJZ-HZPDHXFCSA-N 467.538 2.466 10 20 JECD CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2)CC1 731131255 IILNNQPIOKEFDR-UHFFFAOYSA-N 458.584 2.428 10 20 JECD Cc1ncc(C(=O)OCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)s1 748884488 VRSPVJFCZISMLI-CHHVJCJISA-N 491.572 2.355 10 20 JECD C[C@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C(=O)N1CCC[C@H](C(N)=O)C1 913361806 RWGUCGODVYNLHA-XFPDNBNNSA-N 495.648 2.385 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 917832712 FIPBGCBUUPAKMZ-HXUWFJFHSA-N 470.595 2.103 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 919699669 VTPSDKKCUUMGMB-MAUKXSAKSA-N 480.466 2.016 10 20 JECD COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 920888664 WALFBVLXFGCKKL-GOSISDBHSA-N 461.584 2.247 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1)c1ccc(N2CCOCC2)cc1 920927288 ZPJBSEBUEJXYDS-HXUWFJFHSA-N 465.598 2.481 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H](C)OC[C@@H]2CCCO2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 921096095 OZMQEBPLFHHMHX-AEFFLSMTSA-N 464.540 2.052 10 20 JECD COc1ccnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1 1778128074 YZSIYIOSTVGVFW-ATIYNZHBSA-N 491.548 2.011 10 20 JECD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc(Cl)n1 1779794220 GNRVBVYTDGLBSM-OJZQOFKYSA-N 489.912 2.017 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(F)ccc3OC(F)(F)F)C2)C1 1780166740 YUAPGFVZEMTWLA-FQEVSTJZSA-N 485.390 2.288 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)cc1 1781754538 ZWHVRXCIHYMTEV-DHLKQENFSA-N 485.606 2.115 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc(F)c[nH]1 1782047334 XZWSNAQSJYVRFR-HYBUGGRVSA-N 467.501 2.074 10 20 JECD CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1783176956 COPJAPAQGJYAFP-UQBPGWFLSA-N 452.555 2.062 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccns1)C2 1783220275 VZUJDFSRVOFMRN-SUROQQEJSA-N 459.524 2.101 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4ccccc43)C2)C1 1784106649 KEWBNCKSVDOMPP-AMGIVPHBSA-N 472.545 2.339 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3nc4ccc(F)cn4n3)cc2)CCC1 1791001152 VTKYTEAMOCVFKZ-UHFFFAOYSA-N 498.565 2.476 10 20 JECD O=C(CCc1cnccn1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1791899803 RYQUGOVEWLXOCQ-UHFFFAOYSA-N 469.592 2.404 10 20 JECD CS(=O)(=O)CCC(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1791987481 UUPLSTQLMBYGTG-UHFFFAOYSA-N 482.562 2.348 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@H]1CCCSC1 1792199540 VRRULKLTJJESEV-ATZCPQFDSA-N 454.976 2.488 10 20 JECD COc1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1C 1795366174 WKKRFIQKDOVXHC-DTUWPTEXSA-N 453.495 2.481 10 20 JECD COc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)cc1OC 1796599006 WFDSHFVCOMJGGC-BCDXTJNWSA-N 455.511 2.395 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cccc2ccncc12 1799913852 MIIRHMZJCQQCQL-HBNMSFMJSA-N 483.528 2.231 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc(Cl)nc1 1802291719 FLDKRINGRNRNPD-AUUYWEPGSA-N 490.010 2.310 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CO)c(F)c1)C1=NN(c2ccccc2)C(=O)C1 1803945846 RIICZVHWRRSZDZ-FNLKRUPLSA-N 464.497 2.363 10 20 JECD CC(=O)N[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1ccc(F)cc1 1804288703 BDIWHANOVFSKFM-LVOLBUMJSA-N 497.523 2.471 10 20 JECD COc1nccnc1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1804980664 MSMLAYKAVCWFHU-PQGDUDRBSA-N 491.504 2.030 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2c[nH]c3cnccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996194 NIDHJBYXTNSONW-OYHNWAKOSA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc(F)cc1 1811903197 ZEVCFYGOXUASEB-OXJNMPFZSA-N 472.567 2.401 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cnsn2)[C@@H]1c1cccnc1 1814161622 ATDHWTOFNPURNQ-UVKZZVNJSA-N 467.507 2.083 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)CCCn2cccc2)[C@H]1c1cccnc1 1814191867 NUHVQJMPZBPMJQ-GCJKJVERSA-N 485.635 2.230 10 20 JECD O=C(Cc1cccs1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1815595847 AOVPAVLFUFAHRR-JTQLQIEISA-N 466.635 2.220 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1n[nH]c(C2CC2)c1F 1816234966 HERPCHWMTOGZGE-GFCCVEGCSA-N 491.574 2.316 10 20 JECD CC(C)CNC(=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1817333077 STHUVXQHGYTBDP-NSHDSACASA-N 466.947 2.206 10 20 JECD Cc1nccnc1C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362273 UBDRETXJJYTWGD-AWEZNQCLSA-N 475.534 2.260 10 20 JECD C[C@@H]1CCC[C@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1818886199 JODAXKDWBAXJEE-IJLUTSLNSA-N 452.627 2.352 10 20 JECD Cc1cnoc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1821127308 LYGWPKKEWRPIMA-CYBMUJFWSA-N 464.507 2.458 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1824518423 CQAULDAAJWPFEJ-SWLSCSKDSA-N 453.524 2.449 10 20 JECD COC(=O)C1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC3)CC1 1825281844 LGGMCOZAIIHLJU-SNVBAGLBSA-N 465.915 2.387 10 20 JECD COc1ncc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cc1C 1826210413 ZRFGXORBVYJFMD-GOSISDBHSA-N 490.651 2.492 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714699 HKKWFVCEOHIBOT-GCJKJVERSA-N 481.597 2.314 10 20 JECD Cn1nc2c(c1C(=O)N[C@@H]1CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C1)CCC2 1828198156 SIZFFHGQVGHWMQ-BCRSCGJKSA-N 495.561 2.421 10 20 JECD CC(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)no1 1834500988 ZBWUDWZKBIFQQM-QFIPXVFZSA-N 479.917 2.246 10 20 JECD CC(C)(C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccccn1 1838031886 WGVYCKVHMMEWEE-UHFFFAOYSA-N 468.554 2.478 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1838442996 MTNIWEQEXPORLD-UHFFFAOYSA-N 493.904 2.309 10 20 JECD Cc1ccc(C(=O)C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1839433024 HSFQVUGLYZBDPN-XMMPIXPASA-N 488.924 2.013 10 20 JECD Cc1nc(-c2ccccn2)sc1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1843456590 OQWPSWCLVUDASW-UHFFFAOYSA-N 487.632 2.191 10 20 JECD O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 107980432 AQIBFNKAZKRJAM-UHFFFAOYSA-N 468.476 2.413 10 20 JECD Cc1ccc(C(=O)OCC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c(O)c1O 727003501 ABAQHSOYXWJNOO-UHFFFAOYSA-N 474.535 2.327 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NC[C@@H](c3cccc(C)c3)N3CCOCC3)CC2)cc1 742940039 QAHOYSXHBYNXTC-SANMLTNESA-N 481.641 2.498 10 20 JECD CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 746371177 CESCQBYVPHKALO-UHFFFAOYSA-N 479.624 2.392 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(CS(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1 746989501 JRZHJJKHVPWNCJ-HZPDHXFCSA-N 477.558 2.239 10 20 JECD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 918294758 VFMPWMGTDSFRFL-UHFFFAOYSA-N 473.507 2.335 10 20 JECD CC(=O)C[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781122975 JJCKRKXPCXMEAZ-FIRDEBMASA-N 452.935 2.494 10 20 JECD CC1(C)CCC(CC(=O)N2CC[C@]3(C2)CN(C(=O)CN2C(=O)CSC2=S)CCO3)CC1 1781409530 IDZWYIKABZDPRQ-QFIPXVFZSA-N 467.657 2.283 10 20 JECD COc1ccc(OCC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1782003804 YGRZRXWQPABDKX-HSZRJFAPSA-N 476.913 2.282 10 20 JECD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)C1 1790246058 IJJIUJKPTAEHKA-FWBKQUHXSA-N 494.972 2.324 10 20 JECD Cc1cc2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)ccc2[nH]1 1790513706 TVYQVFBILGLZLN-QSFXBCCZSA-N 450.495 2.190 10 20 JECD Cc1ccn(CC(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)n1 1792314162 ZSFNBDOWJXLMLG-UHFFFAOYSA-N 457.581 2.186 10 20 JECD CCc1ncsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799769393 ZUCQGIDDDWDFNJ-DRXBFXEBSA-N 451.932 2.287 10 20 JECD O=C(CN1CCCC1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1802560309 HYGORRCRLVJXLW-RLVMRWSYSA-N 466.538 2.013 10 20 JECD CC(C)(O)CC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162155 HCDQPGQRUUMFPV-VACSHPSYSA-N 455.511 2.079 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccn3cncc13)CC2)c1cc(O)nc(O)c1 1816726308 SOFWILJOXDVZLM-GFCCVEGCSA-N 450.480 2.137 10 20 JECD O=C(CN1CCCCC1=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1822301295 YRCMZQJCSIFPHV-FQEVSTJZSA-N 491.552 2.207 10 20 JECD CC[S@@](=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828199187 OZPXEIUHXLJSIN-NIWRJRPTSA-N 479.580 2.044 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1cnccn1)CC2 1828200186 LWROQTHZZUTQMU-VXTUICGHSA-N 481.534 2.308 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1sccc1F)CC2 1828240171 OSBYDFWYLIMSHV-MRVPVSSYSA-N 470.598 2.430 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN(C)C)CCO3)C2)cc1 1835389410 PDBDEDWXDSCZMA-SANMLTNESA-N 468.598 2.116 10 20 JECD O=C(COC1CCCCC1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1836626651 SCIIRRHDBDRHNV-UHFFFAOYSA-N 461.559 2.454 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433558 XHQPIYBDFOKQEU-FYSMJZIKSA-N 489.956 2.095 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)c1ccncc1)C2 1844251748 UTPYJHIHDVRZKM-LJQANCHMSA-N 496.564 2.446 10 20 JECD COc1ccc(N2CCC(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3OC)CC2)cc1 110358056 ITDALOWLALNFMS-UHFFFAOYSA-N 489.594 2.124 10 20 JECD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 589570827 WGCWAYNRFSIHEY-AWEZNQCLSA-N 461.565 2.133 10 20 JECD CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 726030259 BATZETCNXPOKEI-MJGOQNOKSA-N 463.550 2.106 10 20 JECD COc1ccc(N2CCCN(C(=O)NCc3cccc(C(=O)NCCN(C)C)c3)CC2)cc1 727479452 JYUSIABPOPTWNR-UHFFFAOYSA-N 453.587 2.409 10 20 JECD CS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)c1 728845593 QJPDRPNDRAQHKO-UHFFFAOYSA-N 478.482 2.243 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 750719779 ACNDHXJRPLFWCM-UHFFFAOYSA-N 475.596 2.391 10 20 JECD COCCN1C(=O)/C(=C\NNc2nc(C)nc3sc(-c4ccccc4)cc23)C(=O)NC1=S 814318116 AWFNPJIKERLAAK-PTNGSMBKSA-N 468.564 2.357 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)/C(=C/c3ccc(F)cc3)n3nnnc3C)CC2)cc1 843444521 VKWHXSXOQKNMTN-MOHJPFBDSA-N 479.560 2.456 10 20 JECD CN1CCN(C(=O)C2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)CC2)CC1 916631531 UDAZQXYKHYQCKM-UHFFFAOYSA-N 497.562 2.238 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnc(SCC(N)=O)s3)cc2F)C[C@@H](C)O1 917186631 MEAXOBRXJUAVEZ-TXEJJXNPSA-N 485.632 2.277 10 20 JECD C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3c(O)ccc4oc5c(c34)CCCC5)CC2)C[C@@H](C)O1 917427722 IAHNMARKPPOLOF-IAGOWNOFSA-N 463.600 2.489 10 20 JECD Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1S(=O)(=O)N(C)C 918294577 GZJQAQDCCJLRPM-LJQANCHMSA-N 475.567 2.097 10 20 JECD CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C2CC2)cc1 918455888 GPHSCZYWDHTVKG-UHFFFAOYSA-N 456.568 2.422 10 20 JECD COCCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1Cl 918464601 XIWPRLJYCJJLRI-KRWDZBQOSA-N 488.972 2.322 10 20 JECD O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 918780741 ORWYTQPDNDMMKE-UHFFFAOYSA-N 468.583 2.379 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)cc1 1779886124 DQTJOWCGPYWTGV-SANMLTNESA-N 460.534 2.485 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)[C@@H]1C[C@@H]1c1ccccc1 1782129940 ZPZDGAWGNQOISL-KYCQWFEFSA-N 451.523 2.424 10 20 JECD CCCCCc1ncc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)s1 1782717432 BQSLEQYVCLYPQY-NRFANRHFSA-N 496.680 2.180 10 20 JECD COCc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1 1783221505 CNWVUZRIBJPPEB-PLOYQGSLSA-N 485.537 2.119 10 20 JECD Cc1noc(C)c1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1785083250 AENCLIRADUNXRD-AXHNFQJDSA-N 463.918 2.192 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cc2sccn2c1 1787275631 NZMJAJARPGWVRH-QZCMVUTJSA-N 483.546 2.424 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cc2cccn2cn1 1788078290 MDPWJSZLQBTDBP-RISOHXOYSA-N 470.913 2.306 10 20 JECD CCOc1ccc(Cl)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796140338 LGBXAAOBOQBTEX-VTEUUUEMSA-N 461.902 2.062 10 20 JECD CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796602898 YEGZZJWNESCVRP-GOOFNZECSA-N 472.542 2.002 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cncc(C(F)(F)F)c1 1798254497 JBPXQPBCOPGOEN-PZPAOMODSA-N 493.438 2.134 10 20 JECD COC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1802601139 IZDQVSHUMCSYDM-DGTJZYEHSA-N 455.511 2.343 10 20 JECD O=C(COc1cccnc1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1804338178 UAAKDBIQDCTMCE-RXFWQSSRSA-N 498.543 2.354 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC2(CCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)CC1 1806605997 OROXVZMKHZTJHI-SFHVURJKSA-N 470.570 2.129 10 20 JECD CN1CCCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162487 SRJBUHSLZXKQAG-LNRZCICUSA-N 480.565 2.402 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)CCc2cccc(O)c2)[C@@H]1c1cccnc1 1814191187 IKOCXFSDVGXHFB-WZONZLPQSA-N 498.630 2.286 10 20 JECD COc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)n(C)n1 1816137612 BSJPEZHCGMPSAL-HEWZJLJBSA-N 482.497 2.288 10 20 JECD Cc1c(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)nc2ccccn12 1816725142 KZRDCNNYVRIQLC-ZDUSSCGKSA-N 464.507 2.445 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3c[nH]nc3c1)CC2)c1cc(O)nc(O)c1 1816725822 PULWNVCJHMSYRW-ZDUSSCGKSA-N 450.480 2.365 10 20 JECD NC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccccc1 1817405588 GDYFFSKTPXZCAN-DOTOQJQBSA-N 486.623 2.005 10 20 JECD Cn1c(=O)n(C)c2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)ccc21 1817845523 OABBVZFEADPNPO-INIZCTEOSA-N 491.508 2.026 10 20 JECD CC(=O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1824378388 ZCVILYHJZDFOCV-INIZCTEOSA-N 453.630 2.082 10 20 JECD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716143 BLDBAECLVFPOTH-IBGZPJMESA-N 493.524 2.344 10 20 JECD CC[S@@](=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828199185 OZPXEIUHXLJSIN-CBUHQURDSA-N 479.580 2.044 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1nccs1 1834284510 OUXMGSBYSKBNMP-DUXPYHPUSA-N 472.567 2.159 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)C1CCOCC1 1834546535 QUBVJVLLRPMMPJ-UHFFFAOYSA-N 465.978 2.363 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)C1CC3(CCC3)C1)CCO2 1840604460 IKNQTTSAQYKBOE-QHCPKHFHSA-N 464.946 2.402 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)C(=O)c1ccco1)C2 1843330935 UPJLQLUCGWUMIS-LJQANCHMSA-N 496.564 2.384 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cc2cccc([N+](=O)[O-])c2)=NN1c1ccccc1 1847209105 YFMZEJXBJDSPST-SFTDATJTSA-N 461.478 2.132 10 20 JECD Cc1cc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1 10191964 MHLBJHZTUXDYSR-UHFFFAOYSA-N 473.526 2.396 10 20 JECD CCS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 19426932 BINKHTWHWUIDKC-UHFFFAOYSA-N 484.530 2.005 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)c1 729063238 YCQXOKPFXPJBSH-OAHLLOKOSA-N 457.552 2.335 10 20 JECD COCCN1CC[C@@H](NC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)C1 730787709 PSRKCWSYSNJZEM-CCAPLTMGSA-N 484.441 2.487 10 20 JECD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 747012389 VZOUFUZWKXRBFO-UHFFFAOYSA-N 450.536 2.176 10 20 JECD O=C(COC(=O)c1cnc(-c2ncccn2)s1)NCc1ccc(N2CCOCC2)c(F)c1 750199755 DIJSBXOFESMUIV-UHFFFAOYSA-N 457.487 2.049 10 20 JECD Cc1cc2[nH]c(=O)c(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cn2n1 750211320 QRXPGNVIXMVYEU-CYBMUJFWSA-N 470.441 2.290 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3=NC=CN4CCS(=O)(=O)N=C34)c2C)cc1F 844204288 NNIFJVHZWCHXMU-UHFFFAOYSA-N 472.498 2.237 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)cc2)C1 918030656 SBDNJVLXSYOMTC-SFHVURJKSA-N 471.583 2.250 10 20 JECD COc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1OCC(N)=O 918294246 NTPDAOFZJMDYLT-UHFFFAOYSA-N 453.451 2.025 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(I)ccc1O 918335089 LUDGTXXROBQLPP-UHFFFAOYSA-N 486.331 2.162 10 20 JECD CCO[C@@H]1C[C@@H]1C(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 919427623 OVNWFOVNXBXANA-JTHBVZDNSA-N 490.578 2.266 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)C(=O)c3cnn(C(C)(C)C)c3)cc2F)C[C@@H](C)O1 919432760 RBVDDNIRQJLRLA-HZPDHXFCSA-N 474.533 2.433 10 20 JECD Cc1cc(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1Br 920291015 SVEORWGEBCCCKY-HNNXBMFYSA-N 482.400 2.232 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3cnccc13)C2)c1cc(O)nc(O)c1 1777847852 BWGZLQBVNBPCOD-CJFMBICVSA-N 462.506 2.482 10 20 JECD O=C(CCCCn1cccc1)N1CC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1779194153 TVARNEJAVAWZGJ-SANMLTNESA-N 477.565 2.281 10 20 JECD Cc1ccc([C@H](C)C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)cc1 1781879758 NESBHPYXMBBTSM-RGZWJVDOSA-N 489.663 2.473 10 20 JECD O=C(CCc1ncc[nH]1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1782412006 OYIZRXUCIVWVCD-VGOFRKELSA-N 462.934 2.235 10 20 JECD Cc1ccc(C(=O)C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1783742815 XMPGCWCOLHRVRF-QHCPKHFHSA-N 458.898 2.386 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc2c(F)cc(F)cc2[nH]1 1787921569 OAOLAGVVTXYMOH-LLJZQGTPSA-N 472.448 2.159 10 20 JECD Cc1ccc(O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1 1789488865 NBMCRVQIHPXXNV-NYDSKATKSA-N 476.533 2.087 10 20 JECD Cn1cncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1795204812 FZUWTHYPSTVSII-PLACYPQZSA-N 496.612 2.390 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)n1ccnc1 1803313101 NMQGZCORRRVUAY-IZHQMGTDSA-N 477.521 2.375 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccnc(C(F)F)c1 1804330811 IAVVRNHEVBANCE-CLLJXQQHSA-N 454.524 2.131 10 20 JECD CN1N=C(C(=O)N2CCCC3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)C2)CCC1=O 1806625064 JDYWACOLHWIHMM-UHFFFAOYSA-N 462.934 2.204 10 20 JECD CO[C@H](C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccc1 1806795429 YLSBDVIZPZCQNQ-BWAGFHJFSA-N 498.630 2.335 10 20 JECD CN(CC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)C(=O)OC(C)(C)C 1807991035 MVIZKYLQZIKSFS-IIBYNOLFSA-N 485.541 2.074 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(OCCCO)cc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996108 XXRDGJSLRCSDGV-YADARESESA-N 492.532 2.282 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnc3ccccn23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996222 OGYGAWOEURIBJB-KSFYIVLOSA-N 458.478 2.169 10 20 JECD O=C1Cc2cccc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)c2N1 1812209225 BWOFCFFAHRETNH-WAIKUNEKSA-N 473.489 2.016 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2n[nH]cc2c1 1816747456 CCXPUTWTWKXXMD-CYBMUJFWSA-N 450.480 2.365 10 20 JECD COc1nccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)c1F 1817666343 ZPGOWBYAIXUHIE-AWEZNQCLSA-N 456.434 2.378 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1ccncn1 1818177520 VHVOXRVGYHKTHD-IBGZPJMESA-N 458.482 2.299 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc(Cl)nn1 1819690760 IINFSKDEVWQZDR-LBPRGKRZSA-N 479.975 2.019 10 20 JECD CN1CCC(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1823862413 FNFUAJFUIWXYBX-LJQANCHMSA-N 480.700 2.198 10 20 JECD Cc1nn2cc(CC(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)nc2s1 1827423678 CAPNLURJNBQZDM-SFHVURJKSA-N 484.582 2.381 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(O)[nH]2)CC1 1829344769 OVUYLAREYLSERQ-QQOXCAACSA-N 456.499 2.179 10 20 JECD Cc1ncc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)s1 1832180461 GBDMHKKRDKNXHP-KRWDZBQOSA-N 480.681 2.474 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccs1)CCO2 1833939102 SKPGGPGUJMBNRI-FQEVSTJZSA-N 452.916 2.197 10 20 JECD CC(C)(C)c1cnc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cn1 1834987189 HQQQXBKSRMWBJK-UHFFFAOYSA-N 482.585 2.079 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1cnn2ccncc12 1835406693 ZQKPGGVEGTYQAR-UHFFFAOYSA-N 498.971 2.293 10 20 JECD Cc1[nH]nc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)c1F 1837332211 PYYWEESLCIZPDI-HWKANZROSA-N 488.516 2.300 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)[C@H]3C[C@H]3F)CC2)CC1 1838110372 CVPXJCZDSFLSFO-VQTJNVASSA-N 456.518 2.136 10 20 JECD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1cccs1 1840378476 UQPTTWLGDUCNSL-HZVYXHIASA-N 488.562 2.138 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@H]2F)C1 1845903714 ITAZNJIFFRPQLK-ULQDDVLXSA-N 477.533 2.095 10 20 JECD O=C([C@@H]1CC(c2ccccc2)=NO1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034298 HISXHFPRHJLIAI-MFUYTVRRSA-N 463.490 2.213 10 20 JECD CS(=O)(=O)NCCN1C(=O)/C(=C\c2cnn(-c3ccc(Br)cc3)c2)SC1=S 727175817 AOXTVMRIHQLLKN-RIYZIHGNSA-N 487.426 2.385 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@H](O)COc1ccc(F)c(F)c1 729595774 BFTWAHQUHPFXDS-INIZCTEOSA-N 453.461 2.304 10 20 JECD COc1ccc(N2CCN(C(=O)C[S@](=O)Cc3csc(-c4cnn(C)c4)n3)CC2)cc1 729870410 BFAFNKAIJKQSAU-WJOKGBTCSA-N 459.597 2.150 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCN(Cc4cn5cc(Cl)ccc5n4)CC3)CC2)cc1 742594450 YNYIVMRMBUCKAY-UHFFFAOYSA-N 483.016 2.463 10 20 JECD CCN(CC)c1ccc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)N3CCO[C@H](C)C3)c2=O)cc1 813239830 WEHBTYSRLINGRG-LJQANCHMSA-N 499.677 2.228 10 20 JECD C[C@H](OC(=O)Cc1ccc(S(N)(=O)=O)s1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 914962931 XFYTVURWBPDCOY-LBPRGKRZSA-N 498.538 2.284 10 20 JECD COc1ccc(N2CCCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)cc1 917759738 WPEWNMXBYLKEFA-UHFFFAOYSA-N 465.597 2.037 10 20 JECD O=C1CN(c2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2Cl)CCN1 918296105 WGISKKJVWYXRQH-GOSISDBHSA-N 486.956 2.128 10 20 JECD Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(OCC(=O)N(C)C)c1 920925764 LMTNOAWNJBGYBY-SFHVURJKSA-N 468.554 2.115 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1csc(Br)n1)C2)c1cc(O)nc(O)c1 1777848419 UAMNZOXFRPBMHG-BFUOFWGJSA-N 497.371 2.153 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCCCC1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126535 ZCWIJLGYCUDUIX-YIXXDRMTSA-N 495.624 2.169 10 20 JECD CC(=O)N(C)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781751006 OHYGETXPZXURGM-SANMLTNESA-N 466.582 2.406 10 20 JECD CO[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1)c1ccccc1 1787539129 RQGJLAYFSIOBMQ-YALMDMJRSA-N 490.560 2.147 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nonc4c3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245154 VPHRATVLTFQFRH-PJFSTRORSA-N 472.885 2.195 10 20 JECD C[C@H](Cc1ccncc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1790579280 IULKOBIDPDTZKS-KRXAKZECSA-N 481.549 2.070 10 20 JECD Cc1ccc(OC(C)(C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)nc1 1804336085 VIOVHYVSECTRDG-MUJYYYPQSA-N 476.624 2.046 10 20 JECD CC[C@H](C)[C@H](O)C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1806073992 LSXSDSJVRGOFLY-AVRDEDQJSA-N 454.571 2.418 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CCCN(C(=O)CN4CC(=O)NC4=O)C3)CC2)cc1 1806696052 AODNIAUPKOFAHE-UHFFFAOYSA-N 491.592 2.491 10 20 JECD COc1nccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1F 1807717896 QAYGKBUCLFNAJA-VBKZILBWSA-N 467.457 2.064 10 20 JECD Cc1c(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)nc2ccccn12 1807996664 YYUCRPRDGZTNNJ-GAJHUEQPSA-N 472.505 2.477 10 20 JECD Nc1ncc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)s1 1814161726 BKRADKLHDLELTJ-UVKZZVNJSA-N 481.534 2.270 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc3cnccc3[nH]2)[C@@H]1c1cccnc1 1814189471 QHGIYTSMANRFHV-YCRPNKLZSA-N 494.602 2.138 10 20 JECD Cc1cnc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)s1 1816286253 GYIQCZPGVFJOFV-LBPRGKRZSA-N 464.598 2.341 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3cccnn3c1)CC2)c1cc(O)nc(O)c1 1816728641 JYPKJUSSPJPJOT-ZDUSSCGKSA-N 450.480 2.137 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2)N1C[C@@H]2C[C@H]2C1 1819569999 SLWLSKONUUCLMG-LTIDMASMSA-N 492.605 2.188 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)CSc2ccncc2)[nH]n1 1823497250 SXNJPHTXYKWJOB-OAHLLOKOSA-N 490.636 2.449 10 20 JECD CC(=O)N/C(C)=C/C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1824475704 SUMZHRLHWLRVEC-BIPYJSMBSA-N 464.931 2.473 10 20 JECD O=C(O)CSCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1826119951 KBECTENBMHKRHI-SECBINFHSA-N 471.944 2.251 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)c2ccccc2)CC1 1826655218 XJHFUCYFFBLHSO-RXVVDRJESA-N 475.636 2.200 10 20 JECD O=C(CC[C@@H]1CCOC1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900307 PUXOLJSQPAGGCT-SJLPKXTDSA-N 467.657 2.283 10 20 JECD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)C1(O)CCC1 1833069459 KTWPLTXELRYGQD-HNNXBMFYSA-N 480.005 2.488 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3cccc(O)c3)CC2)CC1)c1cc(O)nc(O)c1 1834987445 UNESLINSJKPENE-SNAWJCMRSA-N 466.538 2.097 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ccn3)C2)C1 1839433512 LANMJVXRGNZVHH-OAQYLSRUSA-N 482.320 2.183 10 20 JECD CC[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)CC1 1840060591 YFMRFPQBYPMVLI-FUABQEJASA-N 488.581 2.489 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ncc(Cl)cc2Cl)C1 1841000332 GGEBHIQTVGWRRL-UHFFFAOYSA-N 459.380 2.066 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)[C@H]2CC(c3ccccc3)=NO2)C1 1841557194 MQTXYNYCEOJWNN-JOCHJYFZSA-N 471.517 2.176 10 20 JECD COc1ccc(CCC(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cn1 1843440940 JANVIMRTBQGEMW-UHFFFAOYSA-N 461.522 2.019 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)NCCc3cc(Cl)c4c(c3)OCCO4)nnc2n1 105609178 TWDCGODVAQNXLR-UHFFFAOYSA-N 492.993 2.259 10 20 JECD O=C(CN1CCCC1)N1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 728751296 PGRUHMPTDGCCSQ-UHFFFAOYSA-N 465.545 2.206 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 729062800 FIEPMPYIQZVELN-HNNXBMFYSA-N 492.598 2.313 10 20 JECD COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 731131856 NYXPRAZKGQFTRN-UHFFFAOYSA-N 480.565 2.471 10 20 JECD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 747572859 CQMIPRWEFIOLRK-LJQANCHMSA-N 466.003 2.442 10 20 JECD O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 915921770 IEXVTMXHMCDPFB-OAQYLSRUSA-N 489.594 2.304 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1OC 917759405 QOJSEHBKFNAYBL-UHFFFAOYSA-N 482.989 2.315 10 20 JECD CCOC(=O)C1CCN(S(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 917917956 LAJREJUCHUFMLA-HZPDHXFCSA-N 457.568 2.049 10 20 JECD Cc1csc(=O)n1CCC(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918891671 RDUYNZSRYUXDKX-HZPDHXFCSA-N 465.547 2.221 10 20 JECD COc1cc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(N)cc1OC(F)F 919159204 ZJZVIOSLDLASAJ-UHFFFAOYSA-N 483.443 2.328 10 20 JECD CS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919699566 SJCAZRBQDWECTD-UHFFFAOYSA-N 469.542 2.276 10 20 JECD O=C(Cn1cnc2ccc(Br)cc2c1=O)NCc1ccc(N2CCOCC2)cc1 919765752 ITPFGMHWBRFRQI-UHFFFAOYSA-N 457.328 2.312 10 20 JECD Cc1nc(-c2cccc(NC(=O)C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2)no1 920786676 GRPSXBXQWZYLGQ-UHFFFAOYSA-N 453.474 2.400 10 20 JECD CCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1OC 920940316 ZKPQUEQPRUXOBJ-KRWDZBQOSA-N 489.598 2.480 10 20 JECD COCCN1C(=O)/C(=C\Nc2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)C(=O)NC1=S 920974296 HMZNRMHPXRMPEW-ATVHPVEESA-N 494.982 2.326 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1CCCCO1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126936 SSTRYZPSCRQLSZ-UNIVCBNLSA-N 482.581 2.252 10 20 JECD CC(C)(C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccccn1 1784279293 IZKQGQVNZDGGAC-CFSVISAESA-N 467.522 2.019 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)CCOc1ccc(F)cc1)CCO2 1785503568 KOGGUXRCYJLWNC-AMGVHNACSA-N 486.496 2.255 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)C[C@@H]21)c1cc(O)nc(O)c1 1787290267 OBKQHNAJDPPVQB-PBNZUOEOSA-N 462.506 2.281 10 20 JECD CCCOc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)cc1 1787295411 OOQXNOXGTLRLMD-VDGAXYAQSA-N 455.511 2.189 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc2c(c1)COC2 1787992553 ONWBIAUHZBIOKS-FYKZNKNVSA-N 480.517 2.140 10 20 JECD COc1ccc(F)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792221171 JHULVXXUANEGQR-QHVXYVIKSA-N 486.496 2.258 10 20 JECD COC(=O)N(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2)Cc1ccccc1 1802107279 HAHQXDZDCCCIJC-REPLKXPHSA-N 468.510 2.013 10 20 JECD COc1cccnc1CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804453045 NGACBIYOVXYAMU-BXKMTCNYSA-N 477.521 2.244 10 20 JECD O=C(Cc1cncnc1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1804651898 VYRBRWONJWQCAX-KKSFZXQISA-N 467.913 2.499 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1807999764 FVERAVRCLPPMPB-MBSDFSHPSA-N 475.505 2.480 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCc2cncnc2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808466888 BTZFOOCHCNOPHZ-LVXARBLLSA-N 497.559 2.303 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811811060 ZBFVYSKWKDWBGC-VLIAUNLRSA-N 455.902 2.432 10 20 JECD CN(C)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)nc1 1816217044 BXKFYBNPSPAIBW-QGZVFWFLSA-N 451.487 2.297 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1ccnnc1 1816386101 SDMVSWXKNGCQJA-LJQANCHMSA-N 458.482 2.299 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816726407 VXJNQTAAGUOMSJ-DGCLKSJQSA-N 454.512 2.071 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1817307963 IORNZNBTTNSSHQ-CABZTGNLSA-N 466.947 2.300 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1ccncn1 1818177521 VHVOXRVGYHKTHD-LJQANCHMSA-N 458.482 2.299 10 20 JECD Cc1nc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)no1 1825182256 AGUKLNZGNHDXGT-IWHGQQBYSA-N 470.526 2.370 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828246554 AZWHMILYTUDFEH-TZMCWYRMSA-N 489.648 2.189 10 20 JECD Cc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)o1 1828250474 SYMNLAODVULRMV-LLVKDONJSA-N 464.594 2.060 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1829127428 LKXBOMBNBMZREK-SJLPKXTDSA-N 489.667 2.362 10 20 JECD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)nn1C 1834174712 PXZKMGIIHJKBCG-UHFFFAOYSA-N 475.977 2.292 10 20 JECD Cc1nc(F)ccc1C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838504609 YUSFTMJTCKMXSO-UHFFFAOYSA-N 494.614 2.002 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCCCO1)C2 1843330770 MUBOTGSWPMUSMJ-RTWAWAEBSA-N 486.613 2.477 10 20 JECD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501212 OAYBGDDTHPEZSK-HNNXBMFYSA-N 483.949 2.108 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CCCN3c3ncnc4sccc34)nc12 728673266 QDCGOISTJPJAOI-OAHLLOKOSA-N 468.495 2.329 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c1 729064496 SJIQJYIOCVRWPL-AOMKIAJQSA-N 467.522 2.385 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)C[C@H](C)S(=O)(=O)c3ccc(F)cc3)nc12 729131411 HEZBJVSNQHLRFV-LBPRGKRZSA-N 465.459 2.046 10 20 JECD O=C(COC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)NCc1ccc(N2CCOCC2)c(F)c1 731271466 RISYNNHJXRBVAA-OAQYLSRUSA-N 483.540 2.374 10 20 JECD CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 918373804 DFDGYEDLRCRUFA-GOSISDBHSA-N 451.527 2.235 10 20 JECD CCN(Cc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(C)=O 918465609 PARWVXZHSSJQFT-NRFANRHFSA-N 479.581 2.012 10 20 JECD Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918674100 VRWGMDQDVQIGKO-GOSISDBHSA-N 494.621 2.461 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)COc3ccc(Br)cc3)nc12 918841446 WRIJTCCMJLJPDV-UHFFFAOYSA-N 450.245 2.496 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)Nc1ccc(F)cc1F 919800438 SYFJYWKPUYGZLI-UHFFFAOYSA-N 470.455 2.475 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc2cn[nH]c2cn1 1779192674 IINOBPOZLALGTH-AUSIDOKSSA-N 485.928 2.464 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1779331364 XCSVKIIMBDCLHH-RCDICMHDSA-N 460.918 2.090 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ncc[nH]1)C2)c1cc(O)c(O)c(Cl)c1 1781123073 RLEXDADOWMADGK-VGOFRKELSA-N 462.934 2.235 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009193 TWHZHRDBNPTRRE-NYHFZMIOSA-N 453.967 2.173 10 20 JECD Cc1cccn2ncc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)c12 1782521184 JQKPHDMGYGETCA-HSZRJFAPSA-N 470.913 2.465 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)cc(C)c1O 1787541213 BBMNBHATVBJLPK-HARLFGEKSA-N 490.560 2.395 10 20 JECD CCn1nc(C(C)C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1789384629 ILTXJNFCUFTOOI-WWCCZHGOSA-N 498.580 2.450 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(F)c(C(F)(F)F)c1 1801856517 FMDOQMFTGQVOTO-IVWMJMPLSA-N 469.391 2.168 10 20 JECD O=C(/C=C/c1ccc(F)cc1F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804331548 ZLQQGBSNCZUYBD-KOTZLPFRSA-N 465.547 2.477 10 20 JECD Cc1cc(Br)cnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804332222 RYWNUXXTOPYVIZ-BTTYYORXSA-N 497.440 2.265 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cccc(-c2cnco2)c1 1804335697 DRCIKPYTYMSMGY-BJWYYQGGSA-N 470.576 2.454 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cnn(-c2cccnc2)c1 1805075070 QQNDIBZTACYTBV-UZUQRXQVSA-N 485.504 2.102 10 20 JECD CCn1ccc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n1 1805900038 HPWWLIOSDAFOEW-CYFREDJKSA-N 485.548 2.411 10 20 JECD O=C(COc1ccc(F)cc1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1806478636 WQTCMKJPFBFXLT-HJPURHCSSA-N 466.469 2.426 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnn3ccccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996000 LTFHUXXSDDQNIE-KSFYIVLOSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808467319 BURSQDPNHFOZMO-QIEZQMNFSA-N 487.560 2.448 10 20 JECD C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)O1 1808468777 XMHZRFATJPXLSI-IKBNZHKXSA-N 475.549 2.448 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n[nH]1 1811470393 QEHZNJJNYRDZLT-JPYJTQIMSA-N 471.521 2.226 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811806426 MPFSIKDTIKVWDI-SGTLLEGYSA-N 486.872 2.411 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CCc2cn[nH]c2)[C@@H]1c1cccnc1 1814162960 ZYXMTNPGIMYKFR-ADXKRPKKSA-N 477.521 2.274 10 20 JECD CCN(C)[C@H](C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814167146 YQTUMZYDGYCBPX-HVGZQZFMSA-N 468.554 2.258 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnnc3ccccc13)CC2)c1cc(O)nc(O)c1 1816726528 ZXQMJCKYRJAMGM-GFCCVEGCSA-N 462.491 2.432 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCO2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818148032 WGZWROREHCLZTG-MOPGFXCFSA-N 450.499 2.374 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc(Cl)ncn1 1819981614 KJVRLJBIGLXRHQ-GFCCVEGCSA-N 479.975 2.019 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)c2ncccn2)[nH]n1 1823476670 LONYMSRJMQAEGW-PMGBHYCQSA-N 450.455 2.336 10 20 JECD O=C1NC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)O1 1824577806 ZMDJTXGMOAADJV-WBVHZDCISA-N 451.907 2.093 10 20 JECD Cn1nc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)cc1O 1827715109 LPBVFGNIVZEIPB-OAQYLSRUSA-N 478.553 2.152 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)C1CCOCC1)CC2 1828199500 WGVQNKIQUXGRPI-XCVZWFEFSA-N 459.524 2.312 10 20 JECD Cc1cc(CCC(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)ccn1 1828239698 CNYJZYGTWFZHPD-AWEZNQCLSA-N 489.648 2.252 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876534 HTMOYTVBRHALFI-LHUXKHBRSA-N 473.570 2.351 10 20 JECD Cc1ocnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900868 LSOBEEXLUVFTSK-HNNXBMFYSA-N 450.586 2.077 10 20 JECD Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1835085539 BOUSYZKHDWJXRN-DEOSSOPVSA-N 474.941 2.372 10 20 JECD O=C(c1cc2cc[nH]c2cc1Cl)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054114 GCRDDFZVNUJLDJ-UHFFFAOYSA-N 462.984 2.499 10 20 JECD C[C@H](NC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(N2CCOCC2)cc1 726248383 ZIZIRPLGHMLQMP-FYSMJZIKSA-N 451.527 2.138 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(N4CCCS4(=O)=O)cc3)cc2F)C[C@@H](C)O1 726794646 HBHZRYYWPNOSPC-CALCHBBNSA-N 497.614 2.458 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 914929407 VDVSOOCYSFTZFS-MRXNPFEDSA-N 475.567 2.114 10 20 JECD O=C1COc2ccc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)cc2N1 917912325 REIMVFWLTOCCFO-UHFFFAOYSA-N 471.457 2.351 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)cc2F)C[C@@H](C)O1 918139823 FJNKYYDCEJAFMH-HZPDHXFCSA-N 466.513 2.327 10 20 JECD O=C(CN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1)Nc1ccccc1 918221599 ZGYGFIQBUGDIKF-UHFFFAOYSA-N 469.561 2.253 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 918337604 BFWIRZCFHDYWML-UHFFFAOYSA-N 480.590 2.288 10 20 JECD NC(=O)N[C@H](CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccc1 919761498 FUHATAICSICWKJ-OAQYLSRUSA-N 477.544 2.358 10 20 JECD Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)cc1C 919789894 HWXGALNXNQRRIG-UHFFFAOYSA-N 472.611 2.356 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnncc4C(=O)O)C3)C2)cc1 1779531275 YTKVZEQSRKVFGU-SANMLTNESA-N 489.532 2.340 10 20 JECD Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c(F)c1 1781493654 XTBBWFMNMBXQAJ-VWLOTQADSA-N 464.497 2.371 10 20 JECD CC(C)C1(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)CCC1 1784857820 IVJBTWBSTFPNHA-DEOSSOPVSA-N 452.555 2.436 10 20 JECD CCCCCc1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)s1 1785547378 YSSZDHYLNLHKEQ-NRFANRHFSA-N 496.680 2.180 10 20 JECD C[C@@H](CC(N)=O)C(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1786428167 GHUUIXKGMUHBJL-INIZCTEOSA-N 461.522 2.425 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ccccc4c3)C[C@@H]21)c1cc(O)nc(O)c1 1787291847 PAUCEDMVDNAWCP-BVSLBCMMSA-N 461.518 2.482 10 20 JECD Cc1ccc2[nH]c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)cc2c1 1787291946 KWIJVPQKUPRSNR-VHFSOBRXSA-N 450.495 2.190 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccc2nonc2c1 1787882128 NLFPOVRUMKWQFP-PJFSTRORSA-N 472.885 2.195 10 20 JECD Cc1ccc(CSCCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)cc1 1796140873 CKLNOKFSFZSMIF-BBIADKPPSA-N 471.579 2.328 10 20 JECD CC(C)(C)n1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)nn1 1799438025 ZLRGSTGVPSBGDM-BEVBHUTCSA-N 455.515 2.115 10 20 JECD Cn1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c1C(F)(F)F 1799767541 XGGVEAQJWZYFIA-QHBPRCKVSA-N 488.850 2.021 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1cccc(-n2cncn2)c1 1804289378 FOLAZMNFHHLMOA-BMEPKZAYSA-N 475.505 2.349 10 20 JECD O=C(CN1CCCCC1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1806887105 NIKSNNVFUZXAER-BURROFAESA-N 480.565 2.404 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)CCc3cc(F)ccn3)C2)CC1 1806968173 ROCYCXCHLMVSNO-UHFFFAOYSA-N 478.615 2.245 10 20 JECD CC[C@H](C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808465486 WDBCYDNFQKUHRR-DKMQYJSJSA-N 477.565 2.287 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cc(Cl)ccn1 1810714147 IINHUPFYAFCXIM-AUUYWEPGSA-N 490.010 2.310 10 20 JECD CC(C)n1nccc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1810895480 ZXCKGTZFBNDBLA-JXFKEZNVSA-N 486.623 2.039 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cnc2ccc(F)cn12 1812238862 IELWTXHFIOZDML-OYHNWAKOSA-N 476.468 2.308 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cscn1 1816490628 KTPJLQNFIZLFCI-GFCCVEGCSA-N 450.571 2.032 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc(F)c2)[nH]n1 1823497455 VZAFZASKIUOZGD-ZDUSSCGKSA-N 462.532 2.110 10 20 JECD CCOC(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)OCC 1823499672 SPKRKRFBQSRVPO-AWEZNQCLSA-N 483.616 2.051 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cccnc3Cl)C2)C1 1839432584 QRFBOCAXGBVDKL-OAQYLSRUSA-N 482.320 2.183 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cn3cc(C(F)(F)F)ccc3n2)C1 1844061272 ALAWWYCYADUYFE-UHFFFAOYSA-N 461.400 2.290 10 20 JECD COc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)c(Cl)c1OC 1847050568 CZVOEVYRAJWOTC-UHFFFAOYSA-N 483.999 2.035 10 20 JECD O=C(Cc1ccccc1C(F)(F)F)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056429 DMJHGASTMRAWRX-UHFFFAOYSA-N 471.526 2.312 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(CCN4CCOCC4)CC3)cc2F)C[C@@H](C)O1 726071334 TYIHAVUFNAERCS-OYRHEFFESA-N 476.637 2.490 10 20 JECD CSC[C@H](C)C(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 731389649 CSGNDPIDGQSZNY-LUMBYOQCSA-N 482.605 2.275 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NC[C@H](c3cccs3)N3CCN(C)CC3)CC2)cc1 743363246 OSHPGNWLMDVNDE-HSZRJFAPSA-N 486.686 2.167 10 20 JECD CCc1noc(C[C@]2(O)CCCN(C(=O)c3cc(NS(=O)(=O)c4cccs4)ccc3O)C2)n1 856710960 XKUKJSWMKYLXDZ-OAQYLSRUSA-N 492.579 2.410 10 20 JECD CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NCc1ccc(N2CCOCC2)cc1 919790197 QKSYWLOVSAZBMV-UHFFFAOYSA-N 460.600 2.350 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc(F)c[nH]1 1782049713 GLBRCIRHYSCHKI-ITZOUANZSA-N 459.474 2.112 10 20 JECD O=C(CCc1cnc2ccccc2c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1783902677 NPWZITITOZQQTQ-VCOUNFBDSA-N 476.533 2.267 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(F)cc1F)CCO2 1785509852 AWOCMLVUWBRUOW-FBUBFAHDSA-N 474.460 2.167 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)Cc1cc(F)ccc1F)CCO2 1785511557 LWRNSECZZJGMCH-JGZGHEEISA-N 474.460 2.167 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1797796740 APGDLDXVEFBZIW-TXTZMMAHSA-N 492.548 2.340 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799769192 RCPXELBEWBITAI-CWPLJXCYSA-N 487.940 2.210 10 20 JECD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)nc2nccn12 1801014254 QCSMPYYYPOZYDX-ZURAMSNBSA-N 463.494 2.120 10 20 JECD COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)cc1O 1804283498 ZEBRSYPGIRFCED-CHIZEWAFSA-N 468.506 2.412 10 20 JECD Cc1cncc(CCC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1804520110 VTSSCTYEFXSMSC-WMZHIEFXSA-N 497.646 2.284 10 20 JECD CCS(=O)(=O)CC(=O)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1 1805969029 DHHVFXFUGQSPMX-UHFFFAOYSA-N 458.964 2.031 10 20 JECD Cc1n[nH]cc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808470233 UOTSYYAGVJDSIU-MBSDFSHPSA-N 471.521 2.226 10 20 JECD CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1808774039 PVCVBQRGISGJHN-VHFSOBRXSA-N 472.929 2.087 10 20 JECD O=C1C[C@H](C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)CN1Cc1cccs1 1810547503 RDAIEAPSLZVGML-SFHVURJKSA-N 498.605 2.448 10 20 JECD CC(C)c1cc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)n[nH]1 1811510600 RMYHJCRDACKMMA-QRWLVFNGSA-N 486.623 2.108 10 20 JECD Cc1ncncc1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814163807 MPPLESOUVQUKPY-IAADTXTGSA-N 475.505 2.330 10 20 JECD Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c(O)c1 1814192902 YFFFBGUYRUNKFF-KKSFZXQISA-N 484.603 2.276 10 20 JECD COc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1F 1816720957 CWQALBLSJGEMJS-LLVKDONJSA-N 459.459 2.032 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@@H]1CC(c2ccccc2)=NN1 1821617235 VAHSJICDFITMRL-RBUKOAKNSA-N 475.509 2.288 10 20 JECD CC(C)(C)OC(=O)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429094 GMKHENHFPCTGKB-KRWDZBQOSA-N 462.547 2.251 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)Cc1ccccc1F)CC2 1828242854 SJPAZRRRBMZTEL-GFCCVEGCSA-N 478.596 2.297 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832259045 FDOSHAYGMVECAI-VQIMIIECSA-N 490.651 2.329 10 20 JECD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)n1cccc1C=O 1832898613 SGNNUBOCPAJERT-APWZRJJASA-N 490.651 2.342 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(Br)CC2)CC1 1832900529 IGFPDFBVKFIVBP-AWEZNQCLSA-N 488.473 2.394 10 20 JECD Cc1ccncc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1833012432 IDDKFYNTVDUDHF-XMMPIXPASA-N 489.956 2.157 10 20 JECD Cc1ccccc1NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835865695 FOEHQMBGLHURPR-DEOSSOPVSA-N 489.956 2.242 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840414035 NWYICOAYUNXSLT-OMHSXHNCSA-N 487.940 2.320 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1ccc(=O)oc1)C2 1843331406 UTZYMWMEBBHXFM-HXUWFJFHSA-N 496.564 2.175 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@H]1F)C2 1844251521 DQJKNOFPUQYPMK-IXDOHACOSA-N 477.533 2.095 10 20 JECD COC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1847860296 BYHOXAOXGYXEFY-BVBHFADKSA-N 491.585 2.018 10 20 JECD Cn1ccnc1[C@@](O)(CCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)F 302998861 UGBKQSMKMLYRKT-NRFANRHFSA-N 469.508 2.268 10 20 JECD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cccc(S(=O)(=O)NC4CC4)c3)n2)c[nH]1 727247926 UYMPTSLOCZTVNR-UHFFFAOYSA-N 482.565 2.166 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc4c(c3)C(=O)N(CC3CC3)C4=O)CC2)cc1 727948506 VKRJWWSZFHVEOS-UHFFFAOYSA-N 476.533 2.425 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@@H]1CCN(CC2CC2)C1 731119597 KQRBJJGKIBFEOS-HXUWFJFHSA-N 453.566 2.226 10 20 JECD COc1ccc(Br)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 750359721 QPQOFOSBZAEANG-HNNXBMFYSA-N 489.370 2.414 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(C(=O)c4cccc(OC)c4)CC3)CC2)cc1 916196446 HGHSPPJGNDFHQO-UHFFFAOYSA-N 495.624 2.384 10 20 JECD CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 917831901 DPNZZANBFKZCFK-INIZCTEOSA-N 479.002 2.222 10 20 JECD CSc1nnnn1-c1cccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 918286260 GFMZYESDLMZMOQ-GJZGRUSLSA-N 499.572 2.392 10 20 JECD CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)sc(C)c1C 918464112 QSYOEKNWZTULCQ-QGZVFWFLSA-N 486.594 2.498 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3ncc4ccccc4c3=O)cc2F)C[C@@H](C)O1 919263142 SFXBVSDMNKCMFN-IAGOWNOFSA-N 482.512 2.009 10 20 JECD CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1OC 919766814 WZZQYEWUUYATLK-UHFFFAOYSA-N 461.584 2.492 10 20 JECD COc1ccc(N(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1OC 920418830 PCZUBICVUAWEKA-UHFFFAOYSA-N 474.004 2.388 10 20 JECD CCCOCC(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 920914017 HLRJLMIIZUMULY-UHFFFAOYSA-N 478.567 2.268 10 20 JECD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 920923275 YUPMRWNYJINKPQ-KRWDZBQOSA-N 454.527 2.094 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3c(=O)oc4ccccc43)cc2F)C[C@H](C)O1 1317951962 KAHNCUPHPSUEKQ-HOTGVXAUSA-N 471.485 2.207 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(F)(F)F)C2)C1 1780569506 HXHUGKCBGCDJPR-FQEVSTJZSA-N 451.401 2.269 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1cc2ccsc2[nH]1 1781268452 YMPUJKFRGHUTPE-QVKFZJNVSA-N 492.648 2.217 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cnn(-c2cccnc2)c1 1785731616 IHNARMPRPUXAPL-XQAUZQBESA-N 497.939 2.239 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ncn(C)n4)C[C@@H]32)cc1 1790126292 OTJUCYRWPCSYCI-BVSLBCMMSA-N 462.554 2.130 10 20 JECD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1F 1793307473 PWCWWDXPEIZQQA-ZJZZYZHZSA-N 492.551 2.449 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2[nH]ncc2c1)C1=NN(c2ccccc2)C(=O)C1 1797998362 DXDKWZKTBCWSPN-GGPHIMKMSA-N 457.494 2.003 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccccc1Cl)C2)c1cc(O)c(O)c(Cl)c1 1799770492 YAXHFXOAFHYPFP-JSVGYJQLSA-N 481.332 2.341 10 20 JECD COc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cn1 1804265729 PPHAPASIWWWSJO-UUOWRZLLSA-N 477.521 2.244 10 20 JECD Cc1cccc(/C=C/C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)n1 1804833864 NCUNXRXKJFRFPD-VOTSOKGWSA-N 472.636 2.495 10 20 JECD COc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)n1 1806952521 ISTCEIMLMWFHPP-UHFFFAOYSA-N 490.651 2.114 10 20 JECD Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(-n2nccn2)c1 1807995957 WFSVUNXUHHUWQR-HOYKHHGWSA-N 499.531 2.410 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3cccnn3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808000637 NWGSHYLIBONZIB-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccnc3ncccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001722 WKHDOPDVKIFZDS-AOMKIAJQSA-N 470.489 2.464 10 20 JECD CC(C)OCC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808464009 HFNCFSOZTGNCIV-NTKDMRAZSA-N 463.538 2.305 10 20 JECD O=C(NC[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808467323 BURSQDPNHFOZMO-VXOLBTITSA-N 487.560 2.448 10 20 JECD Cc1nccn1CCCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1813360154 VZIKEVVDIKRNAR-JPYJTQIMSA-N 464.526 2.193 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cnc1C 1814184648 CECYQMJYJAJSOK-UWJYYQICSA-N 483.619 2.273 10 20 JECD COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1814186061 KVHGQICFTWRQDW-FDDCHVKYSA-N 498.630 2.199 10 20 JECD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1815822813 DMSBUZPYNJSCGB-YERXGYGTSA-N 497.468 2.037 10 20 JECD O=C(Cn1ccc2sccc2c1=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816721003 DGZSGOCABGNDGD-GFCCVEGCSA-N 497.558 2.252 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc3c(c2)OCO3)[nH]n1)c1cc(O)nc(O)c1 1817844966 QILYJKMRVIURNS-INIZCTEOSA-N 465.466 2.493 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ncn(-c3ccccc3)n2)[nH]n1)c1cc(O)nc(O)c1 1817845188 FPFDTUPJIBSGJT-KRWDZBQOSA-N 474.481 2.416 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccn2cncc12 1819181521 PBOQLQLJXDVSAF-OAHLLOKOSA-N 483.579 2.224 10 20 JECD COc1ccnc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)c1OC 1820386525 OORSWPLXTJQTHF-CQSZACIVSA-N 468.470 2.248 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(O)no3)sc2C1)c1cc(O)c(O)c(Cl)c1 1820718884 GIPDRVLKTUUKRQ-QMMMGPOBSA-N 450.860 2.441 10 20 JECD Cc1nccn1CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1824713923 GVQMZUBHASRQSI-RRFAQUSLSA-N 469.523 2.090 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)Cn2ccccc2=O)CC1 1827097683 LJIOWEYDVSKQPO-HSZRJFAPSA-N 489.576 2.261 10 20 JECD C[C@@H](Cn1cncn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832875974 FDJDGSBOCDSORN-ILDRUCAQSA-N 483.569 2.364 10 20 JECD O=C(c1cnc(O)[nH]1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877015 QUEKMJCDDWGRFH-UABRLCRWSA-N 456.499 2.179 10 20 JECD O=C(NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)c1ccco1 1832877563 QXGPHBMGOBCUSM-XSBJJCPUSA-N 497.548 2.459 10 20 JECD O=C(c1cccc2nccn12)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901005 ZPWRYFSAIRSLNA-QGZVFWFLSA-N 485.635 2.428 10 20 JECD CC[C@H](C)[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833498966 JKRIIUBWCSJRRY-XOBRGWDASA-N 467.994 2.343 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cocn2)CCO3)cc1 1834511713 SVCZRVGQCMLSTL-RUZDIDTESA-N 464.522 2.466 10 20 JECD CC(C)/C=C/C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838818964 APPSTDPCEHMEHM-ONEGZZNKSA-N 453.630 2.058 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)[C@@H]3CCCOC3)CC2)CC1 1838824760 KADNFQWUBMTWJC-MJICGBHWSA-N 474.554 2.242 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433262 BVXRDCVAQSAAGH-VOIUYBSRSA-N 489.956 2.322 10 20 JECD Cc1nc(Br)sc1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249878 LJVBOFRSSOKLFR-UHFFFAOYSA-N 453.318 2.151 10 20 JECD CC1(C)C=C(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CN1C(=O)c1ccccc1 1846263475 CVANXZBRZMHGRZ-UHFFFAOYSA-N 476.533 2.171 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c(Cl)cncc1Cl 1847205129 JHYJHHPVIDVXRW-RYUDHWBXSA-N 459.380 2.064 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CSC2=S)c(Cl)c1OC 1847375063 KHPIJCTXJBSIBZ-STQMWFEESA-N 483.999 2.033 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCCN3C(=O)OCC(F)(F)F)CC2)cc1 727800950 SXMTVRQWZUOYCW-IBGZPJMESA-N 472.508 2.487 10 20 JECD CN(C)c1ccc(CNC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 813533768 SAILIVWHRQTDFF-UHFFFAOYSA-N 461.544 2.096 10 20 JECD O=C(COC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCC(=O)N1CCCC1 913360642 MXBYCPFUMSRLSU-PTNGSMBKSA-N 481.621 2.011 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)CC2)cc1 915035497 NPPZZNQLPREHTR-KDURUIRLSA-N 468.554 2.209 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCN(c2ncccn2)CC1 916631905 MKZNUSWZIUKRKH-UHFFFAOYSA-N 450.465 2.364 10 20 JECD CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 917918046 JZJSYPZIOJIUEX-UHFFFAOYSA-N 462.952 2.198 10 20 JECD C[C@@H](CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)N1CCN(c2ccccc2)CC1 918007528 GANAPNBMEYGUDL-GMAHTHKFSA-N 478.641 2.398 10 20 JECD CC(C)CN1C[C@@H](C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1=O 919698926 BXQZXJVKHHPDMI-IBGZPJMESA-N 454.550 2.063 10 20 JECD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NCc1cc(F)ccc1CS(C)(=O)=O 1126686387 GGMPXOPRGXJUPY-UHFFFAOYSA-N 450.513 2.005 10 20 JECD COc1cc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c(F)c1 1780964697 WEMSTZIAJSNOIU-UZUQRXQVSA-N 477.464 2.221 10 20 JECD COc1ccccc1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792217820 LDFNJVKOXJYWAH-AOPCHSIOSA-N 482.533 2.048 10 20 JECD COc1ccc(-c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(O)nc(O)c3)n[nH]2)cc1 1796601310 SNTGBTUABLSVHY-BJWYYQGGSA-N 463.494 2.457 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796602689 UOIJCXOUJJTIEC-MKAFYLPCSA-N 486.569 2.392 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1CNc3ccccc3O1)C2)c1cc(O)c(O)c(Cl)c1 1799769261 DXWLSAXFOFUNBO-CPBBTPEFSA-N 487.940 2.218 10 20 JECD CN1CCC(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)CC1 1802569312 KLADCIVRKMAXCU-PXDATVDWSA-N 488.592 2.222 10 20 JECD CN(C)c1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1 1804340744 ZRKRSAJDTKEBBU-GGPHIMKMSA-N 474.652 2.184 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc(F)s1 1804738968 MOVNIUUYHOZLJC-FZKQIMNGSA-N 478.596 2.462 10 20 JECD COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1806586030 USUGPYUIWIFWPJ-KOSHJBKYSA-N 462.506 2.459 10 20 JECD COc1ccc(COCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1808000112 XACZCRDIKMGWRF-KBMIEXCESA-N 492.532 2.433 10 20 JECD CN(C)c1cncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)c1 1817843910 HSNYIRMYXCGJED-QGZVFWFLSA-N 451.487 2.297 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3n[nH]c4ccccc34)sc2C1)c1cc(O)nc(O)c1 1819079737 WFADQMXIIKSEOZ-NSHDSACASA-N 450.480 2.365 10 20 JECD CC(C)N[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)C(C)C 1827032656 STTDNIMELPOLIY-RXVVDRJESA-N 482.716 2.489 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(=O)oc1)CC2 1828199216 QKXDPZXGLFBSKX-VRMVNXKISA-N 469.475 2.152 10 20 JECD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)n1ccccc1=O 1829080925 JNHOXEORQOXMTJ-VQIMIIECSA-N 454.527 2.149 10 20 JECD COC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1829119486 XJOSRNIHLJGLCP-RTBURBONSA-N 481.977 2.136 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CC(c3ccccc3)=NN2)CC1 1831065970 SALFHDPVKKYOIK-FCHUYYIVSA-N 477.565 2.492 10 20 JECD Cc1ccc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc(O)nc(O)c5)CCO4)C3)sc2c1 1836419068 QCYOTMMCXGMVHQ-XMMPIXPASA-N 483.546 2.400 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC=CCC1)CCO2 1839128556 RGTMERJBXWUHLT-NYHFZMIOSA-N 450.919 2.178 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3cccc(Cl)c3c1)CCO2 1839604717 FRZPZOOLVCBBTG-XMMPIXPASA-N 498.923 2.078 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2ccc(-n3cnnc3)cc2)C1 1842854604 XDBCZBZUHFZIRX-UHFFFAOYSA-N 453.886 2.463 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1843441543 FSFSMZHETSCYDF-GOSISDBHSA-N 495.580 2.240 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2ccnc(Br)c2)C1 1844418387 ZCJRGKIQGMCWHE-HWKANZROSA-N 474.311 2.491 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1 1847039301 CKKRLUGCCUEYEE-VMPITWQZSA-N 475.505 2.223 10 20 JECD O=C(CC[C@@H]1CNc2ccccc2C1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056624 IABKZXGFJNAOIZ-INIZCTEOSA-N 472.636 2.115 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)CC1 1847144529 PPIBTUVSYOPTPR-SOFGYWHQSA-N 473.526 2.077 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)OC(C)(C)C)cc2F)C[C@@H](C)O1 743102118 IJZWOCYFFYYKOS-HUUCEWRRSA-N 453.511 2.123 10 20 JECD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 746978529 VINHVDIBCOJXGP-UHFFFAOYSA-N 451.543 2.208 10 20 JECD CCCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 747860555 FPMNDSSPJIMZRA-FQEVSTJZSA-N 483.592 2.390 10 20 JECD O=C(CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)N1CCN(c2ccccc2)CC1 749221881 VCNLTROBQFIQQZ-JOCHJYFZSA-N 452.555 2.432 10 20 JECD Cc1noc(C)c1C(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 825248957 LHEHBXZWNNHTSV-PXNMLYILSA-N 489.531 2.195 10 20 JECD Cc1cc(C(=O)COC(=O)C2CCN(S(N)(=O)=O)CC2)c(C)n1-c1ccc(Br)cc1 914898340 NXGUCSHVKPMPBL-UHFFFAOYSA-N 498.399 2.498 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F)c1ccc(N2CCOCC2)cc1 920922622 HITWLAJMLLDMMD-AWEZNQCLSA-N 467.494 2.335 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(N2CCOCC2)cc1 920927343 UVYMKRFBQHNURV-AWEZNQCLSA-N 467.494 2.335 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCC(NC(=O)c4cc(C)on4)CC3)CC2)cc1 1115948245 OYBWELIGMKXLEO-UHFFFAOYSA-N 484.601 2.108 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cccc4nc(C(F)(F)F)[nH]c34)C2)C1 1777959128 OZYOCPHRFFYEJJ-NRFANRHFSA-N 491.426 2.145 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4cc(Cl)ccc34)C2)C1 1778665110 JZSSIJSCUZHZCF-JGZGHEEISA-N 498.923 2.490 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)CCCCn1cccc1)CCO2 1785507695 STQDOEPCJUCRDJ-CFSVISAESA-N 469.538 2.319 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccn2nccc2c1 1788447508 APTZPYLYILAAGX-VHFSOBRXSA-N 470.913 2.306 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccoc1Cl 1789415027 QWGUVMPNZDRTHW-FNHZYXHNSA-N 470.913 2.319 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@@H]1CCc2ccccc2[C@@H]1O 1793038645 YIXUAOTZCYDXFH-CVPGBNADSA-N 486.952 2.250 10 20 JECD CC(C)N[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2)C(C)C 1796173442 XGWXBAUHMBODJF-RKCFAAOBSA-N 453.587 2.440 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCCC1(F)F)C2 1802078418 BAQBVNNIEIDIQC-ABOVEOFHSA-N 466.481 2.232 10 20 JECD COCC1(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)CC1 1803545762 IRDYKLLBWODAFE-QLAXGMPUSA-N 467.522 2.344 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ncc(F)cc1F 1803879306 GDNRGAMCVITJRG-RNODOKPDSA-N 455.421 2.194 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)[C@H]1CC(c2ccccc2)=NN1 1804289785 TZYNGFDGVQPHDH-NAIZPJRESA-N 476.533 2.221 10 20 JECD Cc1nc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)ccc1F 1804944265 IZCFCEKXOGUJJP-FOIQADDNSA-N 487.582 2.104 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2nnsc2C2CC2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993413 KHTXMQQBXXOICI-LIRRHRJNSA-N 466.523 2.250 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994378 VXMYAYABHZVRMA-CMJOXMDJSA-N 495.467 2.497 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(CO)c(F)c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999730 FGPPXMGSHLMXOO-ZHRRBRCNSA-N 466.469 2.153 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccc2nc[nH]c12 1808005807 PTJIFFIMDTXFFR-IVZQSRNASA-N 458.478 2.398 10 20 JECD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)nn1C 1808464833 PMFVOKFXPCBSDK-FQRUVTKNSA-N 499.575 2.165 10 20 JECD CC(C)NCCC(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1809934632 YAMZHUNRZVBVCD-UHFFFAOYSA-N 453.587 2.399 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc(Cl)cn2)[C@@H]1c1cccnc1 1814189737 XHMBIRJISZBTHF-AUUYWEPGSA-N 490.010 2.310 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ncn(-c3cccc(F)c3)n1)CC2)c1cc(O)nc(O)c1 1816722295 WHEHIKYQVPFKMT-CYBMUJFWSA-N 495.496 2.209 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1c[nH]c2cnccc12 1819221399 CDLQVGCTIBJDKJ-INIZCTEOSA-N 483.579 2.452 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@@H]1C[C@]1(F)Cl 1822509479 NVAITSLBWNWFFI-LTHLMHMASA-N 459.956 2.187 10 20 JECD Cc1noc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)n1 1823474997 IOLACPSZRONDMM-PMGBHYCQSA-N 468.470 2.166 10 20 JECD CCO/C=C/C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1826464808 RRAXUYKKLRSQBR-PLSXKVAHSA-N 453.524 2.398 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C3CC3)on1)CCO2 1830198817 SDLRSIIWYHBJRS-QFIPXVFZSA-N 477.901 2.000 10 20 JECD Cc1c[nH]cc1C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1835165578 LAFHLQWNFQKUNB-HWKANZROSA-N 468.554 2.339 10 20 JECD COc1cscc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1835231586 ZZKIRGDUYYJUKU-UHFFFAOYSA-N 460.556 2.062 10 20 JECD O=C(c1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433479 JEMOPVINCQUCNU-JOCHJYFZSA-N 464.877 2.274 10 20 JECD CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)C1CC1 1843248993 ZGHCBODZVXZOCN-MRXNPFEDSA-N 460.531 2.003 10 20 JECD C[C@H](C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1)[S@@](=O)c1ccccc1 1843442630 XCBSCJZZPFRCMO-STQSFFJQSA-N 478.574 2.179 10 20 JECD Cc1c(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)cc(Cl)cc1[N+](=O)[O-] 1845500261 ILPMOPYHELCLSQ-UHFFFAOYSA-N 482.971 2.234 10 20 JECD O=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)CN1Cc1cccs1 1847033854 LDAQIEMIVKSUHC-QQOXCAACSA-N 497.573 2.130 10 20 JECD C[C@H](NC(=O)NCc1cccc(C(=O)NCCN(C)C)c1)c1ccc(N2CCOCC2)cc1 727602844 UONOKMLWIKVVAN-IBGZPJMESA-N 453.587 2.375 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc(C(=O)N(C)C)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 728350716 TWBLKCRQKYNYAT-UHFFFAOYSA-N 483.546 2.483 10 20 JECD CCN(C(=O)COC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)[C@H]1CCS(=O)(=O)C1 728637445 LHXXUELGVDIWGQ-SFHVURJKSA-N 450.557 2.097 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)CC2)cc1 742916831 PYYWHPQXOGUNHS-DEOSSOPVSA-N 488.654 2.245 10 20 JECD Cc1c(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)sc2nc3n(c(=O)c12)CCC3 917832073 IGUWVQDTEWTTSB-MRXNPFEDSA-N 465.579 2.344 10 20 JECD COc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1[C@]1(C)NC(=O)NC1=O 917862949 MVLXFMDNWKVMBF-IBGZPJMESA-N 459.509 2.069 10 20 JECD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 918287599 QRFCIAISEXBXGT-GASCZTMLSA-N 472.517 2.062 10 20 JECD CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918334579 INIJTQGEGGDULU-NRFANRHFSA-N 475.636 2.089 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N3C[C@@H]4CCCN4c4ccccc43)cc2)C1 918466013 WAKBZTPNDGDIMR-FPOVZHCZSA-N 461.566 2.020 10 20 JECD O=C(COC(=O)CCn1c(=O)nc(O)c2ccccc21)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 918922447 QIPZZQIOOHCDLU-UHFFFAOYSA-N 497.463 2.450 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCCN3S(C)(=O)=O)c2C)cc1 920431644 JZWZFKYRMCNUHN-LJQANCHMSA-N 462.524 2.031 10 20 JECD CNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 1115884566 HOKIVNMZNSUGAK-UHFFFAOYSA-N 468.373 2.124 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)C3(Br)CC3)C2)C1 1781346892 DYFCGMOPPPOFGL-QGZVFWFLSA-N 459.724 2.122 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1782007029 GYAVLNWRCUXREN-QHCPKHFHSA-N 483.912 2.089 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cn3c(F)cccc3n1)CCO2 1782007587 HRMJFMCMGKEWLU-JOCHJYFZSA-N 474.876 2.295 10 20 JECD C[C@H](Cc1ccco1)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1784584733 YTKVZNQJGUMOCE-IQGLISFBSA-N 464.522 2.081 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC[C@@H]3CCCC[C@H]31)CCO2 1785539693 GOUIPPOIWLKAMY-JFNLIGNMSA-N 479.668 2.283 10 20 JECD CCC[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)CC1 1785547367 YIFGWQRLXGRLAJ-DRSNIGMVSA-N 467.657 2.283 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1798424854 PZAUSXOQJMGAIQ-QGZGNFAASA-N 479.533 2.484 10 20 JECD Cc1ccncc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799767200 ADZAPJIJCZAJFZ-UPHUGPLXSA-N 459.930 2.291 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(F)c(F)c2)CC1 1799836484 MAYMUNIHLPNKJP-QDMKHBRRSA-N 479.574 2.495 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1cnc(OCF)cn1 1800715654 JXGHTVZZLVYWBQ-CLLJXQQHSA-N 450.854 2.413 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccoc1C(F)(F)F)C2 1802080198 NSEOWMQHWPKHKP-ZAHULMEISA-N 482.411 2.332 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cnsn1 1805001198 GBSRBIVPEGTUIK-UVKZZVNJSA-N 467.507 2.083 10 20 JECD COc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)cn1 1806779892 LYLDNSRQZOLYQG-UHFFFAOYSA-N 490.651 2.114 10 20 JECD O=Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1807388554 QXURNASEWMQWCJ-KUHUBIRLSA-N 488.616 2.136 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2n[nH]c(C3CC3)c2F)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991016 MMNFCMDVXAZXEF-QKKBWIMNSA-N 466.473 2.261 10 20 JECD CC(=O)c1cc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n[nH]1 1808463644 DWTONISIISGKPK-MHECFPHRSA-N 499.531 2.120 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810547401 NMDWBXXBUKLEGQ-NRFANRHFSA-N 464.566 2.394 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccnnc2)[C@H]1c1cccnc1 1814162664 OZKXJRYEATYTRY-RKUWUGLRSA-N 461.478 2.021 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814189386 GNOCXFCNIMJRRV-WVBUVRCRSA-N 497.646 2.222 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)n1cccc1C=O 1816722633 SHIUDVKCWMYXCS-DGCLKSJQSA-N 455.496 2.050 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)COc2cccnn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147826 KQQBWNMYWFGOQN-IBGZPJMESA-N 488.508 2.064 10 20 JECD Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)c(-n2nccn2)c1 1821459725 UPUYZAXKFPDWAD-CQSZACIVSA-N 491.533 2.378 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)N(C)C(=O)OC(C)(C)C 1822603192 GBMVCAYJVKCRMC-YPMHNXCESA-N 491.570 2.431 10 20 JECD Cc1n[nH]c(C)c1CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1823126367 RMIZWPATZJILIA-HNNXBMFYSA-N 491.577 2.431 10 20 JECD Cn1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)n1 1823477020 XKGVXWRNFDGRMP-BVBGJJFLSA-N 452.471 2.279 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccccc2O)[nH]n1 1823499569 MXBBHYWQUCEUAF-HNNXBMFYSA-N 473.580 2.210 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccnn3c2)CC1 1830964738 UJFMMDKXHKHHLL-IBGZPJMESA-N 485.635 2.428 10 20 JECD O=C(/C=C/c1ccsc1)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1833868651 LERPOVCVLKHHFC-OWOJBTEDSA-N 492.692 2.193 10 20 JECD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838030337 ONYZIKHWNOAHDD-UHFFFAOYSA-N 486.481 2.033 10 20 JECD Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)n[nH]1 1838413712 QQISSZWFLOIQBF-HWKANZROSA-N 484.553 2.089 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)c(F)c1)CCO2 1839010158 GNXBJMYWXGWUOJ-QFIPXVFZSA-N 482.867 2.413 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1839951636 LLYMYXAOASYWBO-FYSMJZIKSA-N 490.940 2.289 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)C1Cc3ccccc3C1)CCO2 1840944071 LVXDWRYUFJCKRZ-VWLOTQADSA-N 486.952 2.236 10 20 JECD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845502136 SKPBXNCRRWDQMU-YVLHZVERSA-N 459.886 2.338 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1846840065 ANPWXDQDBHNBRC-UXBLZVDNSA-N 451.479 2.292 10 20 JECD COc1ccc(N2CCN(C(=O)CN(C)CC(=O)Nc3ccc(Br)cn3)CC2)cc1 110790068 QSBJFFRTRGGZOM-UHFFFAOYSA-N 476.375 2.072 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cc2F)C[C@@H](C)O1 726661403 OQADJSQWBNXFJA-HUUCEWRRSA-N 477.493 2.139 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CN(C)C(=O)OC(C)(C)C)cc2F)C[C@H](C)O1 727893796 PZORHMVAYXDKJZ-HOTGVXAUSA-N 467.538 2.466 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cc4c(cc3Cl)OCCO4)CC2)cc1 915744401 CXXQWLFBXUZAPV-UHFFFAOYSA-N 488.972 2.387 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3nnc4ccc(C(F)(F)F)cn34)cc2)C1 918117425 DXMCBOGFDWEGAJ-HNNXBMFYSA-N 475.475 2.449 10 20 JECD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 919383812 ULANEFCHQGXHRW-UHFFFAOYSA-N 458.906 2.206 10 20 JECD Cc1c(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cccc1C(=O)N1CCOCC1 920924701 DNCBCZBKGBEHBP-IBGZPJMESA-N 480.565 2.120 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(Br)cn1)C2)c1cc(O)nc(O)c1 1777850811 JOZJOJZDYIAKSH-IIBYNOLFSA-N 491.342 2.092 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007545 HGRUWOQBZZMHPL-XMMPIXPASA-N 487.940 2.450 10 20 JECD C[C@@H](Cc1ccco1)C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1784588595 VUPBXKZKDCDRCG-HZVYXHIASA-N 456.495 2.118 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(F)cc1)CCO2 1785509517 SSDWRICEIFTDHE-CZDPRXMLSA-N 456.470 2.028 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc2cc(F)c(F)cc2[nH]1 1788266629 GIWCYLZVJLYDLR-KLRAXDNASA-N 472.448 2.159 10 20 JECD CN(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cn1 1798956357 CAERDLGPOUENKS-FNLKRUPLSA-N 460.538 2.192 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)C1CCC(CO)CC1 1804216021 LHJWKQNLVRZUOA-AYIDNSKRSA-N 454.527 2.006 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807994039 MQKZQGGMJZRGDU-JIGPKXGUSA-N 462.510 2.103 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1808001802 XKOVRPFTFGRFFS-OXJNMPFZSA-N 485.541 2.121 10 20 JECD Cc1nnc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)o1 1811803993 PYWVTBLHUZSOTD-VLIAUNLRSA-N 471.901 2.400 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)CC1 1814294266 VYSKPGJNEHSZPC-OXJNMPFZSA-N 497.552 2.265 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3cccnc3n1)CC2)c1cc(O)nc(O)c1 1816725956 OOPFPHXKBXSKHV-ZDUSSCGKSA-N 462.491 2.432 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1cc(O)cc([N+](=O)[O-])c1 1823644081 ZLOOHFDYNDIJML-NSHDSACASA-N 471.451 2.103 10 20 JECD CC(C)(C)OC(=O)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1824759714 UJIKVZVMZBPVSC-INIZCTEOSA-N 483.656 2.198 10 20 JECD Cn1nc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c2c1CCC2 1828272761 USMOTBKQCDVGSF-KRWDZBQOSA-N 489.667 2.002 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2nc(O)n3c2CCCC3)CC1 1829134552 LUTYYAOQSXKJME-QGZVFWFLSA-N 469.542 2.278 10 20 JECD NC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)c1ccccc1 1832898306 JQHDUKVEYUEDDD-WOJBJXKFSA-N 488.679 2.209 10 20 JECD Cc1nccn1[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899351 FOKCSMUKKNPBQG-MAUKXSAKSA-N 477.656 2.233 10 20 JECD O=C(CCCn1ccnc1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900981 ZEONWBVQYXUKLZ-SFHVURJKSA-N 477.656 2.143 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(F)ccc3F)CC2)CC1)c1cc(O)nc(O)c1 1834988720 IUGQFUYUGPEQAV-UHFFFAOYSA-N 460.481 2.270 10 20 JECD Cc1cccnc1C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835134686 URHRDQGRKYAVSE-UHFFFAOYSA-N 488.592 2.368 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)c3ccon3)CC2)CC1 1837563154 SDHHHQOFNDACNL-DUXPYHPUSA-N 457.483 2.117 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838029960 VYKHJIHAMWDPPI-UHFFFAOYSA-N 496.564 2.135 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccno4)C3)C2)cc1 1839348776 LKECIDDMHPYEPF-RUZDIDTESA-N 464.522 2.466 10 20 JECD COc1cc(F)ccc1CC(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843443313 WXQUIPBAXOEZKH-UHFFFAOYSA-N 464.497 2.373 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CNC(=O)c3cc(-c4ccccc4)on3)CC2)cc1 726529489 WXJDTLAQMULBOQ-UHFFFAOYSA-N 463.538 2.018 10 20 JECD CN(C1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1)S(C)(=O)=O 726720641 YXTMOXSGPRLQGS-UHFFFAOYSA-N 460.547 2.322 10 20 JECD C[C@@H](CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)S(=O)(=O)c1ccc(F)cc1 729132864 PYUYRGTZTFQMHB-INIZCTEOSA-N 496.532 2.213 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(N4CCC(C(N)=O)CC4)cc3)CC2)cc1 749031261 WUSDXARLLWUQBZ-UHFFFAOYSA-N 479.581 2.074 10 20 JECD COc1cc(CNC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)ccn1 913674748 FOAXWYVYBUUSOC-UHFFFAOYSA-N 458.452 2.435 10 20 JECD Cc1cc(N2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)nc(C(C)C)n1 917032493 ZKFFZWRFTZWJTB-UHFFFAOYSA-N 470.593 2.323 10 20 JECD CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 917918614 QWXIFDQJXQKBEM-JZXOWHBKSA-N 457.568 2.049 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC(C(=O)N4CCCCC4)CC3)CC2)cc1 920255551 YKTRHKSCXBUIDE-MDZDMXLPSA-N 468.598 2.151 10 20 JECD O=C(Cn1c(=O)oc2ccccc21)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1324036684 JUJGNSMZHXBXBF-UHFFFAOYSA-N 462.485 2.167 10 20 JECD CC(C)[C@H](C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1)c1ccc(F)cc1 1783736887 GEDBRNYGHZXDNE-REWPJTCUSA-N 493.626 2.256 10 20 JECD O=C(Cc1ccc2c(c1)OCO2)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1786597979 FNUAJOSIESKRJL-HTZUNMPGSA-N 488.924 2.316 10 20 JECD CCc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1 1787539056 IWNMQCYNWOAANG-LEDOBFOHSA-N 475.549 2.030 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(Cl)c(F)c1 1793512994 NMWOJYDWSQMNIP-CLLJXQQHSA-N 485.990 2.356 10 20 JECD Cc1c(F)cccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796479154 JLMLZUVCWVLRSU-GPVSGQMNSA-N 464.497 2.130 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CCN2CCCC2)nc1)c1cc(O)nc(O)c1 1796959610 MEUQHECNJMIGEO-WKCHPHFGSA-N 465.554 2.092 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3o1)C2)c1cc(O)c(O)c(Cl)c1 1799767975 HLUQPXFRRBRTMH-IVWMJMPLSA-N 457.870 2.409 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1n[nH]c2cc(Cl)ccc12 1804333569 SBRBMPDVVWJLBZ-CLLJXQQHSA-N 477.999 2.328 10 20 JECD Cc1cc(C)n(CC(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n1 1804579326 LXCSWSWLVKPEDT-HFZDXXHNSA-N 499.575 2.394 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2n[nH]cc2c1 1808010843 CAPKTPZRLBOSTE-ZHRRBRCNSA-N 458.478 2.398 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 1810546659 INXQAEGORRJIJD-IBGZPJMESA-N 453.495 2.178 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)n1cncn1 1811810538 UGHRBSQUQGCZQC-WTANOLMUSA-N 470.917 2.319 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCCC3)CC2)c1cc(O)nc(O)c1 1816725965 PQLQDMHCBXYWSQ-GFCCVEGCSA-N 454.512 2.022 10 20 JECD CC(C)[C@@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1824254889 XRCYXAJWYUXRCJ-JTHBVZDNSA-N 454.571 2.416 10 20 JECD Cc1nccn1CC(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828198364 YAUICLIKYSZVJH-RRFAQUSLSA-N 469.523 2.090 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3cnccc3n1)CC2 1828244319 AXBVNFXCVIAHHW-LBPRGKRZSA-N 498.615 2.172 10 20 JECD CC(C)c1nc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)co1 1833926517 HRTMCLPIXWTCKT-UHFFFAOYSA-N 457.531 2.103 10 20 JECD Cc1cnc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)s1 1834063317 HOUNBZDNOWOYGM-HWKANZROSA-N 486.594 2.467 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])CC2)CC1)c1cc(O)nc(O)c1 1834987110 CHDMUUAEJJVFAE-UHFFFAOYSA-N 487.488 2.039 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3nccs3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132776 MOUHTKCQWDRQGH-UHFFFAOYSA-N 480.594 2.121 10 20 JECD O=C(Cc1cccnc1Cl)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837121041 XAWZGAJBCRWBPN-UHFFFAOYSA-N 474.945 2.396 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433138 MKGHAAQRTHOCBS-BFFNPARHSA-N 487.940 2.320 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433261 BVXRDCVAQSAAGH-GYCJOSAFSA-N 489.956 2.322 10 20 JECD Cn1nc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)c2cc(Br)ccc21 1843250722 HSEKJWFZVYTZDK-UHFFFAOYSA-N 486.326 2.273 10 20 JECD O=C(c1nc(Cl)ccc1F)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441285 LGVJWRXEQKKHNO-UHFFFAOYSA-N 455.877 2.484 10 20 JECD CC(C)OCC(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251603 KPARNEWZIIVMAN-GOSISDBHSA-N 491.585 2.162 10 20 JECD O=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847050975 OBVMAYUZSPJJKI-KBPBESRZSA-N 465.547 2.132 10 20 JECD COc1ccc(N2CCN(C(=O)Cn3nc(C)c(S(=O)(=O)N4CCCCC4)c3C)CC2)cc1 104940542 LZIQMAIKZPMWBL-UHFFFAOYSA-N 475.615 2.032 10 20 JECD COc1ccc(N2CCCN(Cn3nc(C[C@@H]4CCS(=O)(=O)C4)n(C)c3=S)CC2)cc1 108224982 VUAUTNZCHTXXPM-KRWDZBQOSA-N 465.645 2.107 10 20 JECD CC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(S(N)(=O)=O)c1 729230613 LZUBZLHEHJZFRU-FQEVSTJZSA-N 464.563 2.385 10 20 JECD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)o1 746805032 HMLFUBKDLGTRSE-UHFFFAOYSA-N 481.546 2.379 10 20 JECD CCOC(=O)C1=C(COC(=O)c2ccc(C)c(O)c2O)NC(=O)N[C@@H]1c1ccc(OC)cc1 750620431 YRKMEQLZKLFHCL-GOSISDBHSA-N 456.451 2.443 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)cc1 916234287 JIKQZJZXCCTXFV-UHFFFAOYSA-N 468.558 2.257 10 20 JECD C[C@H]1CCCN(C(=O)C2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)C1 917059477 CZGZSUXYQQSZFR-IBGZPJMESA-N 460.594 2.249 10 20 JECD O=C(CNS(=O)(=O)c1cccs1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918616046 RDHNRAAWNIHDOD-UHFFFAOYSA-N 463.503 2.198 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCN(Cc2cccnc2)CC1 919782266 GUJQLUOSWNYNOI-UHFFFAOYSA-N 490.587 2.365 10 20 JECD O=C(CN1CCC(CC(=O)NC2CCCC2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 920089102 WOXMGTUDYHQOHN-UHFFFAOYSA-N 460.594 2.439 10 20 JECD COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2)[nH]1 920886647 NRNMWZGYZSMPJL-QGZVFWFLSA-N 464.522 2.209 10 20 JECD COC(=O)c1cc(C)nc2nc(SCC(=O)N3CCN(c4ccc(OC)cc4)CC3)nc(O)c12 921014029 WDMBXWHJYVWOQD-UHFFFAOYSA-N 483.550 2.275 10 20 JECD O=C(/C=C/C1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1780750887 GJXCKWUSQGYPIB-PWISXXLXSA-N 479.668 2.497 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)c(F)cc3F)C2)C1 1781508673 PCCUDSWCAHJQSD-HXUWFJFHSA-N 453.829 2.182 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1nnsc1C1CC1)CCO2 1782005399 CTTOMPDSJWLACO-HXUWFJFHSA-N 464.931 2.237 10 20 JECD Cc1nccn1CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1782492339 RFXWXYWKRHDSLC-ZYHKADTASA-N 498.580 2.316 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(c3ccccc3F)CC2)C1 1783193968 OHUDTTZAGBBQQM-NTKDMRAZSA-N 469.513 2.491 10 20 JECD Cc1c(F)cccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785503809 RFMZUBOZNMATFE-YFTVHVBSSA-N 456.470 2.408 10 20 JECD Cc1cc(F)cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785510355 XLJYIKMEIHDICJ-JURIHQFCSA-N 456.470 2.408 10 20 JECD O=C(/C=C1\C(=O)Nc2ccccc21)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1788535367 NUYYHGABLYEDIJ-YAXCBHTKSA-N 497.935 2.380 10 20 JECD CC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)o1 1796934454 GLVCRKUYVZIDBO-VBUUOAMHSA-N 463.494 2.283 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)ncc1F)c1cc(O)nc(O)c1 1797093549 IBFSPFMPGSERFG-ZSBIGDGJSA-N 465.279 2.355 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(Cl)n1)C2)c1cc(O)c(O)c(Cl)c1 1799767423 PIGOVVTWPUOOQK-DBWKPXFBSA-N 466.321 2.246 10 20 JECD Cc1ccccc1NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799770784 GTTGSAPHNYFYIL-VPTLXERWSA-N 459.930 2.375 10 20 JECD CN1CCC(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)CC1 1802569310 KLADCIVRKMAXCU-OFVILXPXSA-N 488.592 2.222 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807993131 DLAZNPVKZPEEBK-YRISNDGFSA-N 497.552 2.217 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1n[nH]c2c1CCCC2 1808042889 QECOTEKRQHAGEB-IVZQSRNASA-N 462.510 2.123 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)/C=C/c2cccnc2)[C@@H]1c1cccnc1 1814184952 ISRWBOGOCJWANI-TYNOOCNWSA-N 481.603 2.056 10 20 JECD Cc1nc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)ccc1F 1814185139 LEPWYTCLZXJPKW-QRWLVFNGSA-N 487.582 2.104 10 20 JECD Cc1noc(C)c1CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815711570 UOARJGXSTUXRNM-OAHLLOKOSA-N 476.584 2.110 10 20 JECD O=C(CSc1ccncc1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815775780 AZKANUCJWIGQGY-OAHLLOKOSA-N 490.636 2.449 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccccc1O 1816267161 AWHLROSHIMNOPK-CQSZACIVSA-N 459.553 2.282 10 20 JECD COc1cccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1 1816722615 RFSFBCDQPMTHNZ-CQSZACIVSA-N 454.508 2.426 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CC2)C1=NN(c2ccccc2)C(=O)C1 1817367310 XOJDBRNRGPWHRJ-ZIGSKRJUSA-N 479.562 2.416 10 20 JECD NC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)c1ccccc1 1823497149 AIHCNKKITUTLCM-WBVHZDCISA-N 486.623 2.005 10 20 JECD COCc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1 1829631736 HNZPOQNYOODNSN-GOSISDBHSA-N 478.640 2.255 10 20 JECD O=C([C@@H]1Cc2ccccc2O1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902829 YVPFFVRTEGQHMY-ICSRJNTNSA-N 487.647 2.470 10 20 JECD Cc1c[nH]c(C)c1CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834985488 GYTMYHXWGQJWDV-UHFFFAOYSA-N 469.586 2.256 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)c3ccc(O)nc3)CC2)CC1 1838540999 SFIJCYIYQPQUOY-ZZXKWVIFSA-N 483.521 2.230 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840335062 GDOSJEZBERGSNF-FYSMJZIKSA-N 489.956 2.095 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 1844790176 CYJMPLXQBFDVAS-UHFFFAOYSA-N 490.010 2.407 10 20 JECD CN(C)C(=O)c1cccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1846923276 XZQLEGVNKKSFHL-CSKARUKUSA-N 465.506 2.036 10 20 JECD CC(C)(C)OC(=O)NC1CCC(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CC1 1846954491 IKISVNKVQXEGLQ-UHFFFAOYSA-N 474.558 2.393 10 20 JECD CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)C1CC1 1847039241 YKEJNIKLODBPDX-RQMBKDMJSA-N 487.553 2.323 10 20 JECD C[C@H](OC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 105001737 DPRVTCKJIAXMJK-KBPBESRZSA-N 455.488 2.157 10 20 JECD CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(N2CCOCC2)cc1 108808682 IGWOQHHAPVOLOX-NRFANRHFSA-N 470.595 2.437 10 20 JECD CCOC(=O)C1=C(C)C(C(=O)NC)=S=C1NC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1 518139012 JGIMGVINPQNLSW-UHFFFAOYSA-N 477.546 2.133 10 20 JECD Cc1cccc(N2C(=O)N[C@H](CCC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)C2=O)c1 730747066 DDXFKPXTXQUYHQ-DENIHFKCSA-N 477.565 2.218 10 20 JECD Cc1ncccc1C(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 731095501 RHKRBXXVJMISLI-VCHYOVAHSA-N 485.543 2.293 10 20 JECD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C)Cc3ccccc3O)CC2)c1 917310020 FDFBZYGLZYGAPG-UHFFFAOYSA-N 473.595 2.281 10 20 JECD Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cn2)n1 918438337 MVPKFATWBDLTOE-UHFFFAOYSA-N 466.517 2.239 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)c1 920638028 QJSBXHZUOBEMFN-UHFFFAOYSA-N 490.534 2.277 10 20 JECD C[C@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccc(N2CCOCC2)cc1 920880451 ABVUDKVVJYVSLR-KRWDZBQOSA-N 456.568 2.295 10 20 JECD COC(=O)[C@H](C)NC(=O)c1ccc(N(C)Cc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 931385017 CTIWHCSYCINVND-INIZCTEOSA-N 456.499 2.359 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](C)n2cnnn2)C3)cc1 1780986409 KOZZPXPCHNKTHH-VAPDBKPJSA-N 491.596 2.469 10 20 JECD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)n1ccnc1 1781119694 WTIOFDLRVYPHDZ-GKIWIXTESA-N 462.934 2.336 10 20 JECD COc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1C 1784922326 WUELALLSJBRLIQ-SANMLTNESA-N 476.533 2.240 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3cnn4ncccc34)cc2)CCC1 1788507784 SOEWEJWGGFAJHQ-UHFFFAOYSA-N 480.575 2.337 10 20 JECD CC(C)(C)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)[nH]n1 1788913326 YEPPVSVBWPXURO-MDKPJZGXSA-N 492.580 2.093 10 20 JECD C[C@H](Nc1cnccn1)C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1789539217 ANZLOHUZPDZHMR-AWEZNQCLSA-N 484.607 2.271 10 20 JECD Cc1csc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1 1792218149 ZMGNRYQCNFVHCD-HTERZNMPSA-N 458.536 2.480 10 20 JECD Cn1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1C(F)(F)F 1794275289 XMHBTWQVXXDFSM-QHBPRCKVSA-N 488.850 2.021 10 20 JECD Cc1csc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c1 1794359111 TYSUWAGUCJJOHZ-QDMKHBRRSA-N 451.639 2.488 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC(F)(F)C(=O)O)cc1 1796353410 RWHONQOMYYFFCN-RMFSNUHRSA-N 475.492 2.407 10 20 JECD Nc1ncc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)s1 1807277317 OHBQXXQKYJMGRS-DNBICOFOSA-N 481.534 2.270 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n[nH]1 1807993925 AGTDKKTVELAMIF-YCRPNKLZSA-N 450.499 2.368 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994431 XBDCCCUQHPGLOF-SNYIIPAISA-N 487.516 2.401 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2nc3ncccn3n2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811804266 UHVOBNWGHSUEON-KBXCAEBGSA-N 493.911 2.217 10 20 JECD C/C(=C\c1cccnc1)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1813396351 WBLQUCFMKYPMDM-BYCJELGNSA-N 495.630 2.446 10 20 JECD COc1ccc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)nn1 1814164305 YCOKMCVJERBGJP-XWESUKGBSA-N 491.504 2.030 10 20 JECD CC(C)[C@@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1814945117 XJLLZMCVWKUHEZ-WIYYLYMNSA-N 452.515 2.212 10 20 JECD Cc1nscc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816262461 JAMSCYGYDKPXRW-ZDUSSCGKSA-N 464.598 2.341 10 20 JECD O=C(Cn1cnc2ccccc21)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728069 GSMYRVNXCVSOEB-CYBMUJFWSA-N 464.507 2.225 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C1CCC(O)CC1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817367222 STWXIGTYVKNYKN-CKDBGZEDSA-N 481.578 2.399 10 20 JECD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)n1cccc1C=O 1817484040 BQWLKPURCXKEKG-GUYCJALGSA-N 452.471 2.397 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCCCC2=O)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147960 RIQDCICGLQDYCV-FQEVSTJZSA-N 491.552 2.207 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3n[nH]c4ccccc34)sc2C1 1819084834 HFGFTEVBAMWFQQ-JTQLQIEISA-N 486.604 2.106 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc(O)cc1 1820581698 LJOXZMBECOAOTG-HNNXBMFYSA-N 459.553 2.282 10 20 JECD C[C@H]1CCc2c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CN4C(=O)CSC4=S)n[nH]3)n[nH]c21 1823498760 VRAPNLVIWPHKOS-FZMZJTMJSA-N 487.611 2.349 10 20 JECD CC(=O)N[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)C(C)(C)C 1827424106 PERXMSIUZHYYQE-NQIIRXRSSA-N 460.575 2.277 10 20 JECD Cn1cc(CCC(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)cn1 1828198785 JLHONBVLLBCNSD-BCFOUKGLSA-N 483.550 2.252 10 20 JECD Cn1nc2c(c1C(=O)N1CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC1)CCC2 1832899880 MDFWPIMRZRNZKD-GOSISDBHSA-N 489.667 2.002 10 20 JECD Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)n1 1835132873 VRBHACPCUIYBTK-UHFFFAOYSA-N 488.592 2.368 10 20 JECD CCc1ncccc1C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1837295414 SOTBYLUJFAFPPY-UHFFFAOYSA-N 490.651 2.117 10 20 JECD Cn1c(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)cccc1=O 1837379159 LRIGRYXFNLDKAA-UHFFFAOYSA-N 489.956 2.376 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1Cl)CCO2 1837779034 MKKWQYOGXLAVTE-NRFANRHFSA-N 482.320 2.183 10 20 JECD CC(C)Cc1cc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)n(C)n1 1843180361 LATFFZWCHGJBEK-UHFFFAOYSA-N 462.554 2.229 10 20 JECD COC(=O)Nc1cccc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1845273993 KUDSUDTWTKOLKH-UHFFFAOYSA-N 475.505 2.475 10 20 JECD O=C(c1cc2c(F)cc(F)cc2[nH]1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847053987 BHXUREJONXEOER-UHFFFAOYSA-N 464.519 2.123 10 20 JECD Cc1nc2cc(C(=O)N3CC4(CCCN4C(=O)CN4C(=O)CSC4=S)C3)ccc2s1 1847054061 FOGWRWRMHRSAHZ-UHFFFAOYSA-N 460.606 2.282 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCc3sccc3C2)=NN1c1ccccc1 1848104921 DDHIOSPGZAQFCF-SFTDATJTSA-N 477.590 2.101 10 20 JECD CCCCN(C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)[C@@H]1CCS(=O)(=O)C1 10877698 HKWMGCCEVZFWBC-MRXNPFEDSA-N 483.542 2.435 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 104979704 JIXWWMHEFULUIX-UHFFFAOYSA-N 467.975 2.276 10 20 JECD CN1CCN(C[C@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc2)CC1 727940408 IEYURZIWSVDGAC-ZCYQVOJMSA-N 478.641 2.176 10 20 JECD CCN(CC)c1ccc(CNC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)cc1F 731347016 IGLFCDPMVBPAFT-UHFFFAOYSA-N 466.579 2.181 10 20 JECD CN(C)c1ccc(CNC(=O)CN2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 749687830 PIXOEWRPYSJKLO-NRFANRHFSA-N 487.645 2.160 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CCN3C(=O)[C@@H](C)Oc4ccccc43)CC2)cc1 761183496 MGQBHVUBUGGLFW-GOSISDBHSA-N 467.522 2.091 10 20 JECD Cc1ccccc1[C@@H]1C(=O)NCCN1CC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 863948867 RPRMDFQEJPFRAH-XMMPIXPASA-N 480.590 2.406 10 20 JECD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 917709989 YDAMYCOHSNPLDU-UHFFFAOYSA-N 464.563 2.105 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 918340816 VUSUJSVNUUURGX-UHFFFAOYSA-N 491.560 2.368 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CCCc3nc(O)c4ccccc4n3)nc12 919026644 FJGFSQYLSDXYNJ-UHFFFAOYSA-N 451.439 2.327 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCc3ccc(OC)c(OC)c3)CC2)cc1 920253589 CYFGTLBKHUWMBG-KHPPLWFESA-N 453.539 2.276 10 20 JECD CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1N/C=C1/C(=O)NC(=S)N(CC(C)C)C1=O 920979023 QMAPLJFOKURBHQ-LGMDPLHJSA-N 494.639 2.455 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)CCCCn3cccc3)C2)C1 1779195511 DIVFZUAQHFITTE-PMDNVAFQSA-N 469.538 2.319 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ncccc1F 1779892201 VJCGCPGHPNHBAU-CJFMBICVSA-N 479.512 2.141 10 20 JECD C[C@H](Cc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796482732 UVQGTAJYIZIPJJ-MASGSYHESA-N 474.561 2.248 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)nc3n[nH]cc13)C2)c1cc(O)c(O)c(Cl)c1 1799768021 BNBNAPAIIBEODS-YQYWCBKUSA-N 492.319 2.193 10 20 JECD CC(C)(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1799769462 NEVHSPHAVDYTAY-IVWMJMPLSA-N 462.934 2.289 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(O)nc(O)c3)C4)C[C@H]2C1 1801864418 RNZVUVCWWHVRJH-RYNBEVSTSA-N 486.569 2.392 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3sccn3c1)C2 1802080130 LYWLTMCQLRMSDG-FDHOYWDBSA-N 469.519 2.034 10 20 JECD CCn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c2ccccc21 1802080364 VXCAEQPLZDHKHU-JKURJYBESA-N 492.532 2.090 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804288807 JJCVIUDVIBBJKM-NCSHHQJSSA-N 475.542 2.368 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cn2c(Cl)cccc2n1 1804333815 YKDRUNCFIFEEGE-CLLJXQQHSA-N 477.999 2.100 10 20 JECD Cc1noc(C)c1CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804603242 CZRDXWNMXVXWMW-HXOBKFHXSA-N 465.510 2.445 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1cocn1 1806018308 TZPWWOHIXKISMT-VGOFRKELSA-N 458.478 2.182 10 20 JECD COC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1806377030 HDJYCFCKDVLBFZ-XOBRGWDASA-N 461.902 2.419 10 20 JECD Cn1ncc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1C(F)(F)F 1807991317 OWZXIBAIORVAMO-ACJLOTCBSA-N 490.442 2.274 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1808431037 FMYAVRDJWOHHQT-AUJRIZCKSA-N 474.945 2.333 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)CC1 1809352013 VHKAADHWYBFBFF-UHFFFAOYSA-N 489.619 2.049 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)nn1C(F)F 1811514530 GWWVQRHFZQWEPR-KUHUBIRLSA-N 472.452 2.421 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)n1cccc1 1814191820 NGVHPHAFDQWDTD-OXFYSEKESA-N 471.608 2.010 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cn3c(F)cccc3n1)CC2)c1cc(O)nc(O)c1 1816728235 BSYMQUVEOVRHFA-NSHDSACASA-N 468.470 2.276 10 20 JECD O=C(COc1cccnc1)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364108 MWSUFZDMRFHUSB-HNNXBMFYSA-N 490.545 2.322 10 20 JECD CCc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)nn1C 1820963564 NHKJDCFMLYKZDV-AWEZNQCLSA-N 491.577 2.458 10 20 JECD Cc1cccnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823496544 JXUGWINTWYKBDT-AWEZNQCLSA-N 458.569 2.279 10 20 JECD Cc1c[nH]c(C)c1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1830901487 LPQQAWAWHVVOJQ-DEOSSOPVSA-N 491.972 2.399 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cccc(C(F)(F)F)n3)CC2)CC1)c1cc(O)nc(O)c1 1834988697 GAFNBNHFGSPDMT-UHFFFAOYSA-N 493.486 2.406 10 20 JECD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)n1ccnc1 1836780873 RMYRMCCMSYVEBE-NJELEJDNSA-N 484.553 2.273 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3cccc(F)c3F)CC2)CC1 1838605078 ZUMXTKFOGLFBIO-UHFFFAOYSA-N 497.589 2.437 10 20 JECD COC[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1841662839 PRRRJBPKZPQYMM-FUHWJXTLSA-N 491.585 2.020 10 20 JECD COc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)c(Br)c1 1843248982 XYLZRCIKZGLJFN-UHFFFAOYSA-N 476.327 2.324 10 20 JECD O=C(N[C@H]1CCC[C@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)OCc1ccccc1 1845034655 ZBSQMCRTMXNLGQ-UXHICEINSA-N 494.548 2.405 10 20 JECD O=C(c1cn2c(F)cccc2n1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039504 XCICHGGJCDZMRD-SOFGYWHQSA-N 452.442 2.121 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)cc1 24110244 UQJOQCXJNPUSSP-UHFFFAOYSA-N 472.611 2.078 10 20 JECD COCCNC(=O)CN1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 302942406 KIRMPCDHSJFURO-UHFFFAOYSA-N 477.403 2.377 10 20 JECD CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 726977013 VTVWVHCPPKKRSE-UHFFFAOYSA-N 479.624 2.385 10 20 JECD Cc1ccc(OCC(=O)N2CCN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)cc1 749012055 YBCAZUKXUYRCFS-QFIPXVFZSA-N 493.608 2.130 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 749026882 IPVWZHCOBPORLO-UHFFFAOYSA-N 451.571 2.442 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)cc1 750351203 CFJJEJBEDCZQDD-UHFFFAOYSA-N 478.597 2.241 10 20 JECD Nc1c(C(=O)OCC(=O)Nc2ccc3nc(O)[nH]c3c2)ccc2c1C(=O)c1ccccc1C2=O 797353831 LFJQWRJFHHZQJK-UHFFFAOYSA-N 456.414 2.422 10 20 JECD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1C(N)=O 914792398 LDWCLCUPOJQNRL-UHFFFAOYSA-N 467.550 2.122 10 20 JECD COc1ccc(C)cc1-n1nnnc1SCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 917172463 LIBVLSLQVYJJNI-UHFFFAOYSA-N 472.546 2.364 10 20 JECD COC(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(F)cc1F 918442791 OIUBWYAAMNDQIJ-UHFFFAOYSA-N 461.465 2.215 10 20 JECD CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 919652374 ZMZYMPVEWVOMLU-HNNXBMFYSA-N 484.530 2.005 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3CN3C(=O)CCC3=O)cc2)C1 920344961 VMLVPWNXRSNDCF-LJQANCHMSA-N 463.538 2.359 10 20 JECD C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCOCC2)cc1 920869418 HRDKRZREQMNWPX-SFHVURJKSA-N 479.624 2.347 10 20 JECD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 920923554 XYTVIOAQWSUXFL-OAHLLOKOSA-N 472.517 2.015 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cccc3[nH]ncc13)CCO2 1782002817 WYOHXPQFKYDAKK-JOCHJYFZSA-N 456.886 2.385 10 20 JECD Cc1noc(C)c1CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004425 DABVMUKHMSBZNH-QFIPXVFZSA-N 463.918 2.432 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@]2(F)CCCC=C2F)C1 1783333036 CVPCDRVSYDYICA-IPHXSNPTSA-N 487.594 2.106 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(Cl)s3)C[C@@H]21)c1cc(O)nc(O)c1 1787290111 DQRFVWRBWWYHMD-CQDKDKBSSA-N 451.932 2.044 10 20 JECD C[C@@H](Nc1nccs1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1787489162 NZHJECMPTRIVBR-NVNVUAJTSA-N 480.974 2.302 10 20 JECD COCCOCCOCCC(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788428932 IESRRLJCFKHKPT-UHFFFAOYSA-N 473.526 2.310 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cccn(C(F)F)c1=O 1788797504 RCOPBZZWPHQRNJ-YLVFBTJISA-N 497.882 2.215 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)cc(O)n1 1790243533 VMUVVKJWTKRHSS-QITLCBANSA-N 461.902 2.067 10 20 JECD C[C@H](Oc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1791621388 CRSGGZGXVSXUEB-PWDMQXDWSA-N 475.929 2.207 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3cnc4ncccn34)CCC2)cc1 1792315147 JHOYSUQJYULJTJ-UHFFFAOYSA-N 480.575 2.337 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)no2)cc1 1798203923 FSYJITFPHYLHAT-OPMZPASUSA-N 450.495 2.305 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc[n+]([O-])cc2)C3)cc1 1799620851 JIIDEOWGDCDULP-ACHVPNTGSA-N 460.534 2.245 10 20 JECD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1)N(C)C(=O)OC(C)(C)C 1799768845 AYPWMSKZBXAUGG-LJGDNWOOSA-N 497.976 2.210 10 20 JECD CO/C=C(\C)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1810145195 XBSAXGBXIBHIAH-DUJJYPJESA-N 461.522 2.431 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823499818 ZGOPATBRVMUMPA-HOCLYGCPSA-N 480.660 2.240 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cc4ccoc4cn3)sc2C1 1823886934 IQVBWLKEQHMSLW-NSHDSACASA-N 487.588 2.370 10 20 JECD N[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)c1cccnc1 1826984811 AQQMXRPJDNTZIS-UXHICEINSA-N 453.543 2.211 10 20 JECD O=C(CCC1CCCC1)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1834671062 VVKWBMNXZNXHTD-SANMLTNESA-N 482.581 2.206 10 20 JECD O=C(/C=C/c1cccs1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1834809741 IJPUHKVLKSEVTB-ONEGZZNKSA-N 456.568 2.453 10 20 JECD O=C(c1ccc(Cl)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836418980 KGAZFBUJOSBGKD-OAQYLSRUSA-N 482.320 2.183 10 20 JECD C[C@@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)O1 1838110409 HFFUOFJZJULTII-WZONZLPQSA-N 482.581 2.345 10 20 JECD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1cccs1 1840881900 UWUYFBUEHOWXIE-YZPPATINSA-N 488.562 2.138 10 20 JECD O=C(CCc1cncc(C(F)(F)F)c1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251123 YHUSNEGJKDLRBL-UHFFFAOYSA-N 450.417 2.356 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)Cc2ccc(Br)c(F)c2)C1 1845945145 OJXNXSCDWJRLPE-UHFFFAOYSA-N 464.291 2.454 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)CCc2cncc(C(F)(F)F)c2)C1 1846528707 RFCNRVWJVZIJTB-UHFFFAOYSA-N 450.417 2.356 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCC[C@@H](C2OCCO2)C1 729600511 RRUKZZQGGAMONC-LJQANCHMSA-N 470.549 2.237 10 20 JECD CC(=O)NC[C@@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C1 742830387 IVIVDDTTZPTKFH-HNNXBMFYSA-N 476.511 2.090 10 20 JECD CS(=O)(=O)NC1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 914448091 RDDRCTJABGIWBV-NTCAYCPXSA-N 473.667 2.270 10 20 JECD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 918437440 HFWJGNDTGCNPPY-UHFFFAOYSA-N 456.568 2.205 10 20 JECD CCN1C(=O)C(=CNc2cc(S(=O)(=O)N3CCCCC3)ccc2C)C(=O)N(CC)C1=S 920975866 ABTFPLMUJODVJR-UHFFFAOYSA-N 464.613 2.461 10 20 JECD Cc1nc2cccc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)nc(O)c5)CCO4)C3)c2s1 1777701593 LQUDAFZVAOEKHL-QFIPXVFZSA-N 454.508 2.168 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@H]1CCC=CO1 1779347997 LFXLOGFQTYAZTN-NXVMYOCNSA-N 458.511 2.023 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(F)(F)F)C2)C1 1780573356 RZZXUBGLVQGQNM-LJQANCHMSA-N 487.525 2.009 10 20 JECD O=C(Nc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc1)c1ccco1 1782122382 IIRUXMVHVKDBIB-VWLOTQADSA-N 492.488 2.095 10 20 JECD O=C(CCN1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1786579632 NFYBGPSBWWEUSB-KNBMTAEXSA-N 465.978 2.221 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)cc(F)c3)C[C@@H]21 1792217731 IYZBKILTADKEBG-BXTXGBPESA-N 474.460 2.388 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(Cl)c(Cl)c1)C2)c1cc(O)nc(O)c1 1796137330 HSZQGHBQPGVZLL-NXCRSVRDSA-N 482.320 2.082 10 20 JECD CCOc1ccsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796479357 OBSLGFSQVKSLDT-VPTLXERWSA-N 482.562 2.143 10 20 JECD C/C=C(/C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1800470275 FYNZAFUUWMKILL-RKPRTGHQSA-N 486.613 2.260 10 20 JECD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)c(F)c(OC)c1F 1800671258 AXMBRRJNCMLWEZ-CLLJXQQHSA-N 463.437 2.354 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccncc12 1800913704 BWGBSRKWTRRLGD-MUJYYYPQSA-N 454.577 2.347 10 20 JECD COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1O 1802815675 BXGUZJYHCGWUKJ-XDHUDOTRSA-N 478.505 2.164 10 20 JECD C[C@@H](Sc1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804340019 FZLXATNNKPYENM-APIJFGDWSA-N 464.638 2.061 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccc(=O)oc1 1806121093 IHVHZFRQJFTTNL-LTETZXIYSA-N 477.473 2.185 10 20 JECD O=C1Nc2ccccc2/C1=C/C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807995601 HBZAHKUFISDMBF-MAFPCSMASA-N 485.500 2.243 10 20 JECD Cc1nccn1CC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808469163 INMKSBAFBJCCEX-CJFMBICVSA-N 485.548 2.085 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc(O)c(F)c1 1810972436 ZRDNOLKYPIYFQD-BTYIYWSLSA-N 452.442 2.366 10 20 JECD Cc1nc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)no1 1811798566 RRAWZSPZGVGWKW-VLIAUNLRSA-N 471.901 2.400 10 20 JECD CC(=O)C[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813008851 FGKQDSUCQHHPQZ-IQOKHDRSSA-N 475.549 2.496 10 20 JECD CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1813882616 CEIUVHJMVUJMHM-UZUQRXQVSA-N 475.505 2.480 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@H]1C[C@]1(F)Cl 1822509495 NVAITSLBWNWFFI-MIHTYCSTSA-N 459.956 2.187 10 20 JECD O=C(CSc1nc[nH]n1)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823713114 BNMQFDBMHBONAK-VIFPVBQESA-N 480.959 2.344 10 20 JECD Cn1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC3)cn1 1826944050 UEVKSJHAFBVNCS-GFCCVEGCSA-N 461.931 2.410 10 20 JECD Cn1cccc1C(=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1826995098 ZEIFGMDXINLOQK-CQSZACIVSA-N 490.545 2.069 10 20 JECD COc1nccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1F 1827256526 GNKOXSWBHSZRGV-MRXNPFEDSA-N 494.614 2.323 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])CC1 1827648945 SPLXHRKZLFACBN-BIENSFFJSA-N 485.497 2.381 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccc3nonc3c2)CC1 1828110233 CPFSKQLPIUGPFF-GOSISDBHSA-N 487.607 2.316 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1sccc1F)CCO2 1831922193 MQXGGYQBOLMEOE-FQEVSTJZSA-N 470.906 2.336 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1nc(Cl)ccc1F 1833899278 LPKIKKZSYSIDRG-UHFFFAOYSA-N 477.924 2.179 10 20 JECD Cc1ccncc1CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834985928 RBDOZCBQBXTIFC-UHFFFAOYSA-N 467.570 2.014 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@]4(C)CCCN4)C3)C2)cc1 1839348296 LSDDGMPGVAPSLN-SXOMAYOGSA-N 480.609 2.306 10 20 JECD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)c1ccc(O)cc1 1839433793 VGQKBPGQTILFON-IZHWHUGBSA-N 490.940 2.331 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)c3cc4sccc4[nH]3)C2)C1 1840880695 FXASKDXATHAEIT-UQPVFDRXSA-N 499.545 2.130 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249108 XHJJFAGPMUTURU-MRXNPFEDSA-N 460.531 2.099 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 1847612765 USGGPRFKSUJHAA-PYTWLRIVSA-N 465.547 2.130 10 20 JECD CC(C)CC(=O)N[C@@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1 727372151 YPOYVOLHVMTHDC-HSZRJFAPSA-N 457.596 2.441 10 20 JECD CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1F 731363844 NCTAKSMBKZILTR-UHFFFAOYSA-N 461.582 2.317 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)OC(C)(C)C)cc2F)C[C@H](C)O1 743102117 IJZWOCYFFYYKOS-GJZGRUSLSA-N 453.511 2.123 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1S(=O)(=O)N1CCCCC1 747011250 NPUUXFWVUCECFW-UHFFFAOYSA-N 492.573 2.330 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(C(=O)N4CCCC4)CC3)cc2F)C[C@H](C)O1 916975092 PBZPQVJAVZFAGI-OALUTQOASA-N 460.594 2.390 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)cc2F)C[C@@H](C)O1 918288339 UQQQQGBLVDOAOT-OKILXGFUSA-N 456.474 2.025 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 918437471 HXUPKTBXJYSNDP-UHFFFAOYSA-N 482.606 2.496 10 20 JECD CCOc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1S(=O)(=O)N(CC)CC 918443498 CIPIUPNPPAIKMK-UHFFFAOYSA-N 463.556 2.419 10 20 JECD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(OC)c(OC)c(C(=O)O)c2)cc1 920482279 LPAXXMZIWVJXFO-UHFFFAOYSA-N 458.514 2.355 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1csc(-c2cccnc2)n1 1778129861 YDKCPHCMFUZOSA-HOYKHHGWSA-N 495.561 2.453 10 20 JECD CCN(CC)C[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1781509405 LESBGVLPCNRTET-ADIVMAKYSA-N 489.613 2.308 10 20 JECD Cc1cc(F)cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)c1 1782284519 PWXDILMOSBCKEU-WZONZLPQSA-N 493.626 2.051 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)c(O)n1 1790244150 QGKRMRPWVUFSNY-QITLCBANSA-N 461.902 2.067 10 20 JECD O=C(Cn1nccn1)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1790576677 ZZALLNDADKWGGZ-UHFFFAOYSA-N 457.494 2.205 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc(-c2ccccc2)on1 1792407222 NEXXENXGFGHBAG-HBNMSFMJSA-N 499.527 2.338 10 20 JECD COC(=O)C12CCC(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(O)nc(O)c3)C4)(CC1)CC2 1797880770 UQDSAQDQRUBJEK-BFZVAXDVSA-N 457.527 2.258 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC(c2ccccc2)=NN1 1801215301 DMIOLPCYIXLUGH-NAIZPJRESA-N 476.533 2.221 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1803587253 IAIUFNNPOIFMPQ-MUKKUYKPSA-N 495.985 2.147 10 20 JECD CC(C)N1CCC(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)CC1 1807993199 FSQBLXSNNYKJKA-CVDCTZTESA-N 467.570 2.328 10 20 JECD COc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccc1O 1807995022 MIDZTXPKADUXMD-KSFYIVLOSA-N 464.478 2.235 10 20 JECD Cc1ncncc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808470343 WDYYUVVMIFJXER-NTKDMRAZSA-N 483.532 2.293 10 20 JECD C[C@@H]1CCc2c(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)n[nH]c21 1809250200 CEXJDDIETKUBJX-QOAZOABKSA-N 462.510 2.294 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2ccnn2c1 1812204124 SAQFVLNTYZXRPH-AOMKIAJQSA-N 458.478 2.169 10 20 JECD CC(=O)Nc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1813891068 ZDNXMAZTANLVJZ-MBSDFSHPSA-N 475.505 2.480 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)C(=O)c1ccccc1 1816716630 HQQTWOAUKURCEB-OAHLLOKOSA-N 471.564 2.145 10 20 JECD Cc1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)n[nH]1 1819496616 MTUSAKSRUQZRTN-FQEVSTJZSA-N 474.525 2.469 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cncc4cnccc34)sc2C1)c1cc(O)nc(O)c1 1821213412 QJKSAOSLFDNGMQ-ZDUSSCGKSA-N 462.491 2.432 10 20 JECD O=C1C[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CCN1 1821295162 FXCKPEMDKBEWBQ-ABAIWWIYSA-N 461.906 2.306 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H]4C[C@H](O)CN4)sc3C2)cc1 1822616165 MRHMDFUEPDNOMZ-CUWPLCDZSA-N 479.606 2.499 10 20 JECD CC(C)N[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)C(C)C 1827032654 STTDNIMELPOLIY-GHTZIAJQSA-N 482.716 2.489 10 20 JECD Cc1nn[nH]c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827308434 ZMSFZCKJFSEAJX-FQEVSTJZSA-N 463.542 2.139 10 20 JECD Cc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)ccc1F 1828240553 XCDXUSCXZJOOFG-JTQLQIEISA-N 479.584 2.072 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccn3ccnc3c2)CC1 1828624334 FIRRYFZXXDKNRV-GOSISDBHSA-N 485.635 2.428 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1829861606 MWHOTBVGBNFWCD-SHQCIBLASA-N 496.608 2.079 10 20 JECD O=C(C[C@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896383 GDHBMRGVKOQBSO-QZTJIDSGSA-N 467.657 2.426 10 20 JECD CC(C)(C)OC(=O)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896804 QKKRNCBSYUMHMU-INIZCTEOSA-N 483.656 2.198 10 20 JECD CC[C@H](C)[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1837851552 FNCPPDQXGDOIRM-WAQKVGIPSA-N 475.586 2.189 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1839431663 HBMTWQIKKXQMEY-JOCHJYFZSA-N 477.901 2.000 10 20 JECD O=C(c1c(F)ccc(O)c1F)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442606 WDNNPAVFANRHED-UHFFFAOYSA-N 454.433 2.280 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc(Br)cs2)C1 1843447019 NJGQSTRJKRYXPF-UHFFFAOYSA-N 474.427 2.188 10 20 JECD CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 726103120 OWYYJXHQNDTPSZ-MOPGFXCFSA-N 459.591 2.445 10 20 JECD CCn1cc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cn1 727352649 JUVNXWGPSYKZOZ-UHFFFAOYSA-N 464.525 2.276 10 20 JECD CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NCc3ccc(N4CCOCC4)cc3)cc2)CC1 728392183 AZYRAFZYBXATBU-UHFFFAOYSA-N 480.613 2.055 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@H]3Cc4ccccc4CN3C(C)=O)CC2)cc1 729303754 ZBYCPESAMITPGL-RUZDIDTESA-N 450.583 2.297 10 20 JECD Cc1cc(C(=O)CN2CCN(c3cccc(O)c3)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 741692684 GGGMSEODLNNKTN-UHFFFAOYSA-N 468.579 2.452 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)CC2)cc1 742940819 YYSQYEGWXZFVSH-UHFFFAOYSA-N 468.558 2.257 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N[C@H](CN3CCCC3=O)c3ccccc3)CC2)cc1 743363963 YTVKONWTZFIRBK-XMMPIXPASA-N 465.598 2.480 10 20 JECD Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 744652564 FNHIMCNQYQRTSJ-GFCCVEGCSA-N 462.418 2.446 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(NC(C)=O)c(C)c3)CC2)cc1 915744438 HCNUYHBNMCMRFM-UHFFFAOYSA-N 467.570 2.229 10 20 JECD CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(=O)c1ccc(Br)o1 917712402 YBOWRZUYJHGNPI-UHFFFAOYSA-N 454.296 2.406 10 20 JECD CCOc1ccccc1N1C[C@@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1=O 917832299 SEDLWGGGAOCMIQ-UXHICEINSA-N 464.566 2.456 10 20 JECD COC(=O)c1cc(CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1OC 918117598 NVEJEPBYBPAGHP-SFHVURJKSA-N 454.527 2.183 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccnc3-n3cccn3)cc2F)C[C@@H](C)O1 918287998 SBLGTZZAJQFAID-HZPDHXFCSA-N 452.490 2.275 10 20 JECD COC(=O)c1cc2cc(NC(=O)C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)ccc2o1 918465438 MKZDNEOXBQGRGQ-MRXNPFEDSA-N 478.505 2.176 10 20 JECD O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919697555 BEQXNFNTCLBYHY-PMACEKPBSA-N 494.571 2.124 10 20 JECD Cc1nn2cccnc2c1C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 920537022 BGIOGFWHXZRNJF-HUUCEWRRSA-N 455.490 2.264 10 20 JECD CN(C)S(=O)(=O)c1ccc(NC(=O)/C(=C\C2=S=CC=C2)n2nnnc2-c2ccccc2)cc1 925445389 QMAZASBDKGCGOV-HMMYKYKNSA-N 480.575 2.348 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)cc1 1115884078 GNFDVHCVHZQOLH-JOCHJYFZSA-N 479.625 2.339 10 20 JECD CCOc1ccsc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777846306 AMWCUKHTPNADMR-OPAMFIHVSA-N 461.540 2.394 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 1778196604 VFEQMRPRBORZIU-GSHUGGBRSA-N 494.038 2.134 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)C3(F)CCCCC3)C2)C1 1778206731 MSVUACSGJLGULU-HSZRJFAPSA-N 456.518 2.282 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc(O)nn1)C2)c1cc(O)c(O)c(Cl)c1 1781122918 CBYLCYVFHHLTGY-WZONZLPQSA-N 490.944 2.007 10 20 JECD C[C@H](N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1)C1CC1)c1ccccc1 1782889710 QMHLGIHTBIEGJY-RUJAXMSRSA-N 480.565 2.066 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)ccc1F 1783246061 PPYGXPIRWBDXFT-VGOFRKELSA-N 479.599 2.122 10 20 JECD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)ccc1F 1785011705 YMBNCRIYNHXIAY-BSBODGDASA-N 472.469 2.108 10 20 JECD Cc1cccnc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792218161 ZUXSWLIYWYQJGA-KEURFZBCSA-N 481.549 2.133 10 20 JECD CCC[C@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)CC1 1792242278 WSXDOBJXWSMDFV-VMXHOPILSA-N 481.684 2.433 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C1CC1 1793015242 QOBPSNRUWHDIOZ-MQLJDPFESA-N 498.624 2.260 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2cnccc12 1798133059 HMDXHGYUYLIODZ-MUJYYYPQSA-N 454.577 2.347 10 20 JECD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cc(Cl)n1 1799769014 JTZFMQYZOSCVIM-IVWMJMPLSA-N 482.320 2.325 10 20 JECD CO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1802386701 JPSSDQFRPWNKNM-BHNDVYRESA-N 491.585 2.207 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc2nc[nH]c2c1 1809826961 RJDALOQVGPZIFB-HRAATJIYSA-N 494.602 2.138 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n(C(F)F)n1 1811519214 QGLXGSNOAAZHSN-KUHUBIRLSA-N 472.452 2.421 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccc2ccnn12 1812085839 MMJUKRFUXHOHOY-KSFYIVLOSA-N 458.478 2.169 10 20 JECD Cc1nccn1CCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1813360151 VZIKEVVDIKRNAR-FDDCHVKYSA-N 464.526 2.193 10 20 JECD Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)o1 1814184998 KCBDTXZACMYTOC-DNVCBOLYSA-N 458.565 2.163 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](CNC(=O)CNC(N)=O)[C@@H]2c2cccnc2)cc1 1814228370 QSDSJYZVJWWFOF-URXFXBBRSA-N 474.565 2.477 10 20 JECD O=C(Cc1cncnc1)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1815972838 CPQOMZVTXWQSIZ-QQOXCAACSA-N 464.482 2.265 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccnc(Cl)n1 1819749363 WDMXDLIVNUSHJI-LBPRGKRZSA-N 479.975 2.019 10 20 JECD Cc1nccnc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1820872366 CWRYYMPLLPVWHG-CQSZACIVSA-N 475.534 2.260 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@@H]1C[C@@]1(F)Cl 1822509496 NVAITSLBWNWFFI-NSTVUXKKSA-N 459.956 2.187 10 20 JECD Cn1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)cn1 1823476358 ABOOTVRUSPKTEZ-IQIBNGDESA-N 452.471 2.279 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)C2CCC(O)CC2)CC1 1832005421 WLMPXOAXPJKPRG-DAWZGUTISA-N 467.657 2.018 10 20 JECD CN(C)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896356 DZTIHZDLFAJAJV-GOSISDBHSA-N 489.667 2.241 10 20 JECD O=C(c1ncc(Cl)cn1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896777 PFTGWQXPGNNNEA-OAHLLOKOSA-N 482.031 2.224 10 20 JECD COc1nc(C)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900040 BHOLQPICXBSMCD-GOSISDBHSA-N 490.651 2.492 10 20 JECD O=C(Cc1noc2ccccc12)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1834814825 JVRXYOIAQXKDIV-UHFFFAOYSA-N 479.537 2.062 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835133997 TYIDEFRJCNGHNX-AGILITTLSA-N 493.633 2.226 10 20 JECD Cc1nocc1C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837515817 CGKKJXWZZBJPPE-UHFFFAOYSA-N 479.537 2.388 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cn4ccccc4n3)CC2)CC1 1838031515 KWHVKSSKZWUTGH-UHFFFAOYSA-N 465.510 2.067 10 20 JECD COc1ccc(F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839435298 FXHUOYMMXQFXEZ-HSZRJFAPSA-N 494.903 2.283 10 20 JECD Cc1cc(F)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1840881088 BULVWCMMYRIKTP-CMEKQAILSA-N 486.496 2.034 10 20 JECD CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1848097695 UZVXRJINYOKDBJ-XUZGRNSASA-N 499.564 2.488 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 728979607 JFLVFVVOSSKQTN-OAHLLOKOSA-N 489.550 2.361 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 731359544 LZSOVLWOKHYGQV-UHFFFAOYSA-N 495.599 2.469 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4F)C3)CC2)cc1 742920465 QIMQPARONCLGHB-QGZVFWFLSA-N 458.509 2.265 10 20 JECD O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 916588215 NBYZSNYUERSVAO-UHFFFAOYSA-N 473.555 2.411 10 20 JECD CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)/C=C\c2cnn(C)c2)c(O)nc1=O 917112278 HVCDPPWCAZGFAA-KHPPLWFESA-N 452.515 2.320 10 20 JECD CSC[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 917708912 MVEWKGWNMKARAV-ABSDTBQOSA-N 463.575 2.185 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(c4ncnc5c4cnn5C)CC3)cc2F)C[C@@H](C)O1 918223220 YMGVCIDQZQCNQM-IAGOWNOFSA-N 482.564 2.148 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3C(=O)N(C)C)cc2F)C[C@@H](C)O1 918287137 OFSWFYSFJUNDTM-IYBDPMFKSA-N 456.518 2.396 10 20 JECD O=C1CN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCSCC4)cc3)cc2Cl)CCN1 918438435 OQXVEMFJACZGOU-UHFFFAOYSA-N 488.013 2.084 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3cccs3)cc2F)C[C@@H](C)O1 918870248 ACNKFFPFKFQIEP-GASCZTMLSA-N 463.531 2.090 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCS(=O)(=O)C3CCCC3)cc2F)C[C@H](C)O1 919336091 MAPYXGADUHZREX-IRXDYDNUSA-N 484.590 2.346 10 20 JECD CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 919840554 QZJJUIXFTOVKPX-UHFFFAOYSA-N 465.597 2.203 10 20 JECD COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)OC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 920638280 SVTHELPRTFNFSO-QWHCGFSZSA-N 466.512 2.204 10 20 JECD C[C@H]1CN(Cc2csc(NC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)n2)C[C@H](C)O1 920940048 SCPNYKUPXOWKSH-IRXDYDNUSA-N 493.655 2.309 10 20 JECD Cc1ncc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)s1 1778127496 NPIXXHSKUJUBEU-PXDATVDWSA-N 495.605 2.301 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCCC1)C2)c1cc(O)c(O)c(Cl)c1 1781121451 WSJGTPQQOIEVMX-AUSIDOKSSA-N 465.978 2.365 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccc4occc34)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539064 JNKUGTNYXUAMEU-BPXKWBHBSA-N 487.516 2.214 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)ncn4)C[C@@H]32)cc1 1790124232 FKZZONRKFPBMJK-RRPUWOKSSA-N 475.549 2.497 10 20 JECD O=C(Cc1ccc(F)cc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1790977627 CMNCUFUPVLAJTC-NYDSKATKSA-N 496.514 2.280 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3cnn4ncccc34)CCC2)cc1 1792314024 WFZCSQCOQIXPRS-UHFFFAOYSA-N 480.575 2.337 10 20 JECD Cc1ccc(F)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1792647233 BAYBREJMHZTWBE-CPVVTZALSA-N 456.470 2.168 10 20 JECD CC(C)(C)OC(=O)N[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2)c1cccnc1 1793324538 LGZXASNDYQAPNN-BMQTXXJKSA-N 497.552 2.406 10 20 JECD CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)C1CC1 1796601149 YRNJQRZHBWNXBT-XMTFNYHQSA-N 474.558 2.438 10 20 JECD CO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796749460 XNZIUWOHAGXCPK-FARZLIQASA-N 474.602 2.378 10 20 JECD C[C@H]1Oc2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)/C=C/c3ccc(O)c(O)c3O)C4)cc2NC1=O 1799291042 LKLKUPGIVKKOGH-TXGZOVEZSA-N 493.516 2.488 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1804291714 VZLOMSMYEDTAMM-BFHQPYISSA-N 489.528 2.365 10 20 JECD O=C(CCc1cc(F)ccn1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804446725 LQCBEQFWPKMIQL-WAIKUNEKSA-N 465.485 2.374 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccnc(Cl)c1 1805667992 GOBNXVKACBRVLP-KXBFYZLASA-N 490.010 2.310 10 20 JECD O=C(CCc1cn[nH]c1)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1807020001 IIEPUYKQIHAJCW-UHFFFAOYSA-N 462.554 2.366 10 20 JECD CC[C@@H](C)[C@H](N)C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1809708262 QYQYVNVABUGRES-GCJKJVERSA-N 453.587 2.384 10 20 JECD COC(=O)C1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)CC1 1812690882 YOIHYZBAPRZCLK-KSSFIOAISA-N 473.913 2.419 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@@H]1c1cccnc1 1814160953 ATFKZHJBVNFPAI-JHXXMYRRSA-N 477.521 2.274 10 20 JECD Cc1nccc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1814164236 VYZLRLXIZJDNBR-NTPDFONASA-N 475.505 2.330 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CCc2ncc[nH]2)[C@H]1c1cccnc1 1814164991 APXXCOJEPXCAAS-KMKSOLPBSA-N 477.521 2.274 10 20 JECD COc1cccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)n1 1815805032 PCYJTSHVMSHHEA-MRXNPFEDSA-N 452.471 2.168 10 20 JECD CC(=O)N[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)c1ccc(F)cc1 1816727059 CRCNPEHQIKCAJE-FOIQADDNSA-N 499.524 2.192 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728507 RIJVKCQEADWQRT-YPMHNXCESA-N 455.496 2.038 10 20 JECD N[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1ccccn1 1817332527 DSHGRNJKKCTBPG-REWPJTCUSA-N 486.536 2.290 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)cco2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146592 RLGRPNCFTPPRKJ-LJQANCHMSA-N 474.477 2.462 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1nnsc1C1CC1 1818308487 SGPMHGPJJJEKPU-GFCCVEGCSA-N 491.624 2.305 10 20 JECD CC(=O)N/C(C)=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1821633904 NOXLFMPFOFHPAM-IZLCOFNUSA-N 477.525 2.235 10 20 JECD O=C(C[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1833681224 VAWZQZVQIHXFTF-HSZRJFAPSA-N 495.624 2.310 10 20 JECD CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1834449898 VSRHLKHAJPTPDP-UHFFFAOYSA-N 453.587 2.397 10 20 JECD CC[C@@H](C)[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1834687245 MOBCRJRKKQBBIG-VLIAUNLRSA-N 467.010 2.310 10 20 JECD Cc1ccc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc(O)nc(O)c5)CCO4)C3)sc2c1 1836419067 QCYOTMMCXGMVHQ-DEOSSOPVSA-N 483.546 2.400 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)Cc3ccccn3)CC2)CC1 1837978400 UFLLPPRPJZPJOX-FNORWQNLSA-N 481.549 2.453 10 20 JECD COC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348797 MSLDDOPROHVGHG-SIBVEZHUSA-N 469.582 2.447 10 20 JECD O=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CN1Cc1ccccc1 1841505320 ZTEIMPXTDDCJGC-OAQYLSRUSA-N 499.571 2.031 10 20 JECD C[C@H](NC(=O)NCCCN1CCN(c2ccncc2)CC1)c1ccc(N2CCOCC2)cc1 726245669 LWINMDYIESDRRZ-NRFANRHFSA-N 452.603 2.491 10 20 JECD CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 728462967 UXJDKPARHXZCBV-UHFFFAOYSA-N 450.605 2.249 10 20 JECD CNC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cn1 728679454 QXQMDMPEFVUQMJ-ZDUSSCGKSA-N 457.442 2.401 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(Cl)c(OC)cc3OC)CC2)cc1 743432774 RBYGNRGLEPNBBW-UHFFFAOYSA-N 476.961 2.243 10 20 JECD Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 746975345 DMBDURPWMLBXTJ-UHFFFAOYSA-N 453.540 2.103 10 20 JECD CSc1cccc(-n2c(C)cc(C(=O)COC(=O)Cn3cc(S(N)(=O)=O)cn3)c2C)c1 748430271 VRVYYXXBSABPKE-UHFFFAOYSA-N 462.553 2.086 10 20 JECD Cc1nn(CCO)c2ncc(C(=O)OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc12 749409744 RFCKTCPCHKXAEC-UHFFFAOYSA-N 484.468 2.303 10 20 JECD COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3nc(-c4ccsc4)no3)CC2)cc1 914470149 SAIUDFRUUOZJER-UHFFFAOYSA-N 462.553 2.070 10 20 JECD COc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2=O)cc1 917834708 OCVIYSFEOUIEHH-MOPGFXCFSA-N 450.539 2.066 10 20 JECD O=C(CN1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1)Nc1ccccc1 918223752 KKYAEOZKFQZWSU-UHFFFAOYSA-N 455.534 2.128 10 20 JECD Cn1ccnc1SCc1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 918341005 ZVHMSMDHDQRZCN-UHFFFAOYSA-N 460.581 2.470 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cn3c(S)nnc3-c3cccs3)cc2)C1 918371584 HHZIQNYCIQJMMC-OAHLLOKOSA-N 456.597 2.313 10 20 JECD CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 918441375 ZOKMVPMSIALFMO-UHFFFAOYSA-N 483.949 2.099 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1 918855502 FALGQGCNYKLFMB-OKILXGFUSA-N 460.462 2.403 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1cccc(O)c1)C2)c1cc(O)nc(O)c1 1777850983 PDYVVYPYXLEPJC-JHGPDTEOSA-N 453.495 2.039 10 20 JECD CN1CCCC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1780593445 UGHOTJBPAFMYBA-GEQKSPFYSA-N 465.978 2.363 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)C2)C1 1782861345 XRESQVSCRYVTOO-IVZQSRNASA-N 494.038 2.060 10 20 JECD Cc1nc2ccc(F)cn2c1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510091 MEUZKLDTHJUTLQ-UDFXQGOISA-N 496.495 2.056 10 20 JECD CC(=O)NCCC(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1791295136 BCCSVOQNTSHROV-UHFFFAOYSA-N 461.522 2.440 10 20 JECD COc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1 1795242383 QNERTEGZCBMUOY-VPTLXERWSA-N 460.914 2.206 10 20 JECD COc1ccc(C(=O)CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1 1795525995 HPHSAKFUQIHPGL-BJWYYQGGSA-N 489.619 2.157 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc2ncccc2c1 1796808316 PRDGZCNOWHBHCD-SKMDJGCISA-N 475.501 2.268 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc3nc[nH]c23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995492 ZJLLNWNAFAXYAP-QRQCRPRQSA-N 458.478 2.398 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@@H](CNC(=O)C(Cl)(Cl)Cl)[C@H]1c1cccnc1 1812723461 SKOXIPTWLWUTBN-SMDDNHRTSA-N 495.841 2.318 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)Cn2cc(Cl)cn2)[C@H]1c1cccnc1 1814162581 MFTORLXMSGBPSN-YEUXVMMMSA-N 497.939 2.468 10 20 JECD CCc1[nH]nc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)c1Cl 1815809652 ZIPRRLAKHNJQDN-SECBINFHSA-N 462.919 2.428 10 20 JECD CC(C)[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145726 HWANMQGECHDUJE-NQIIRXRSSA-N 452.515 2.212 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccnnc2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818145937 NEQYVOJEMFFBOU-IBGZPJMESA-N 458.482 2.299 10 20 JECD Cn1ncc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CN4C(=O)CSC4=S)[nH]n3)ccc21 1818762527 DRBUPGCIPPWAQP-KRWDZBQOSA-N 497.606 2.463 10 20 JECD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1820678795 OFOPXMRUHFRBQV-FZKQIMNGSA-N 496.499 2.479 10 20 JECD CCS(=O)(=O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821290786 CSYFTCKLINYPLV-CQSZACIVSA-N 470.935 2.215 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cncn3c2)[nH]n1 1823500237 XHFRUCPUDLHEQC-MRXNPFEDSA-N 483.579 2.224 10 20 JECD CC(=O)NC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708262 OSMHESUALGAUCM-LLVKDONJSA-N 466.947 2.348 10 20 JECD O=C(C1CC(O)C1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715160 OFWNANKDAPXJHV-ZNIKRAEXSA-N 452.555 2.170 10 20 JECD CC(C)[C@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715438 UNKOQVVKSLHGED-GMAHTHKFSA-N 454.571 2.416 10 20 JECD CC[S@](=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828199186 OZPXEIUHXLJSIN-MIATYIQQSA-N 479.580 2.044 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cccn3cncc23)CC1 1828701963 MLEZPUNWSZWXDW-SFHVURJKSA-N 485.635 2.428 10 20 JECD Cc1nccn1[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832315093 AYDLTBNZUPHAEN-MAUKXSAKSA-N 477.656 2.233 10 20 JECD COc1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898530 OAQIYEFNPKNVTE-QGZVFWFLSA-N 476.624 2.184 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)cc1 1838620302 FBKFQFXUAGKFOV-OZXSUGGESA-N 494.636 2.429 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1841740919 LXPYINRPEMBMPH-LJQANCHMSA-N 496.564 2.446 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)[C@@H]2CCc3ccccc3O2)C1 1846337342 LZFICYNLBLAZTH-ZBWUASRJSA-N 450.491 2.414 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039463 TYLRDLSJJCGRII-GQCTYLIASA-N 469.450 2.256 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCn1c(=O)oc2ccccc21 1848154762 YJTWWTAEOAXQFN-IWDGFTLQSA-N 479.489 2.017 10 20 JECD C[C@H](OC(=O)Cn1nnc2ccccc2c1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 16258907 IQTDSCGTXURBKE-AWEZNQCLSA-N 482.452 2.137 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C[C@H](NC(C)=O)c3c(F)cccc3F)CC2)cc1 727376086 RPTSEKRRTAYQRR-QFIPXVFZSA-N 460.525 2.479 10 20 JECD CC(C)c1noc(OCC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)n1 730730938 BVTVKPZCGHARLU-OVCLIPMQSA-N 476.536 2.318 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(Cl)c3N(C)C)CC2)cc1 743432218 JOSPEIZAHOJVNR-UHFFFAOYSA-N 459.978 2.292 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(NC(C)=O)c(Cl)c3)CC2)cc1 743432525 ONOIUCVDAUKECL-UHFFFAOYSA-N 473.961 2.184 10 20 JECD CCOC(=O)c1cnn(-c2ccc(F)cc2)c1N/C=C1\C(=O)NC(=S)N(CC(C)C)C1=O 747827263 KSJXKIPWNAJQDR-CXUHLZMHSA-N 459.503 2.383 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)nc12 919500938 DIZYPDMYTFGIJV-LBPRGKRZSA-N 458.858 2.361 10 20 JECD Cc1c(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cccc1C(=O)N1CCOCC1 919795669 OUKZYBUNUDNTNW-HXUWFJFHSA-N 481.549 2.319 10 20 JECD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919970891 IAAHLVXGFQSRSR-UHFFFAOYSA-N 461.559 2.466 10 20 JECD CC(C)O[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778128067 XJNSUYBUMWVBRA-NXQMDHLFSA-N 470.570 2.107 10 20 JECD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccc(O)cc1 1781263784 BXDQPWQBHFJFPN-CESDORHLSA-N 468.506 2.156 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781751309 GTDQDNGDUMLFOM-IBVKSMDESA-N 466.582 2.452 10 20 JECD O=C(c1cc(Cl)c2nncn2c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007565 UGWMRRDKSQYKMM-NRFANRHFSA-N 492.319 2.205 10 20 JECD NC[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1)c1ccccc1 1783222323 LXCOWDDXRDCBJM-QDDQSCJWSA-N 495.576 2.073 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OCC4CC4)c(F)c3)C[C@@H]21)c1cc(O)nc(O)c1 1787294661 ZJSANMIXWUXBMC-MDKPJZGXSA-N 485.512 2.328 10 20 JECD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C[C@@H]21 1787411577 TXQBEBVVJIOKPE-UDIDDNNKSA-N 481.597 2.134 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3Cl)C[C@@H]21 1792219401 VCPGLJFNHSKDEW-DEMFTJLTSA-N 473.913 2.159 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc[nH]1 1795068730 ZVERJDYCOQSBBM-XMTFNYHQSA-N 499.568 2.209 10 20 JECD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc1F 1796480463 DNWFVOKUNOYQGS-FEJSZKPUSA-N 464.497 2.130 10 20 JECD CCCOc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc1 1796481146 OZAMWAWGEZBXCR-NXKWYNOOSA-N 490.560 2.472 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1Cc2ccccc2CN1 1796817516 ZJFZCGSLPAUMJH-JGHWMNSHSA-N 463.534 2.169 10 20 JECD CC(=O)Nc1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799770185 LPUSHGWAWTXGBD-YVWYUNDQSA-N 473.913 2.227 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC(c2ccccc2)=NN1)C1=NN(c2ccccc2)C(=O)C1 1801212552 XUPLIDCZGQEUGE-LOCCHRAXSA-N 484.560 2.184 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1803587248 IAIUFNNPOIFMPQ-FRIZHTMISA-N 495.985 2.147 10 20 JECD COc1cccc(CCC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n1 1804431824 KPAQUVHHGZIBBK-OSPHWJPCSA-N 477.521 2.244 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3ccnn3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001740 WWJZRIARIMPKGP-OPAMFIHVSA-N 458.478 2.169 10 20 JECD CC(C)N[C@@H](C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1)C(C)C 1809947569 APAXIYDRGHHEJL-LJQANCHMSA-N 468.689 2.101 10 20 JECD Cc1cnoc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1811242510 WHFAESSHGFFNHC-XMSQKQJNSA-N 472.505 2.491 10 20 JECD C[C@@H](CS(C)(=O)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1815231135 KEIKDEGSQVYYOI-NHYWBVRUSA-N 484.962 2.461 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)Cn3cc(Cl)cn3)sc2C1 1815416557 PHFYKYNSJJLLBC-ZABGRMTBSA-N 489.941 2.435 10 20 JECD COc1cnc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)cn1 1816609647 BHLBUHDCESTSFU-IBGZPJMESA-N 488.508 2.307 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cn2ccccc2n1 1818499499 SULJZRFVVNWZSD-OAHLLOKOSA-N 483.579 2.224 10 20 JECD Cn1c(=O)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)nc2ccccc21 1818662314 JWJNJTICLYPWOW-QGZVFWFLSA-N 489.492 2.083 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@@H]1ON=C(c2ccccc2)O1 1819298456 OTNIFRATUYORSS-HJPURHCSSA-N 478.465 2.257 10 20 JECD COCCOCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821293683 NDTMBGZRMWLIFW-OAHLLOKOSA-N 452.895 2.443 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccn(C(F)F)n2)[nH]n1 1823500227 WZQCPEOVTIRKJF-LBPRGKRZSA-N 483.526 2.168 10 20 JECD Cn1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)n1 1827715656 OPGLQPQKNRDHFN-QHCPKHFHSA-N 476.581 2.375 10 20 JECD COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)ccn1 1829279977 WFBILTVPEKBUEE-QGZVFWFLSA-N 476.624 2.184 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnco2)CCO3)cc1 1831937849 ZXYWAHOURMLQAN-RUZDIDTESA-N 464.522 2.466 10 20 JECD COc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1838030329 NWJJGTYBDXEOSP-UHFFFAOYSA-N 455.511 2.427 10 20 JECD Cc1nnsc1C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838139494 CASNMZCIMFDFDT-HWKANZROSA-N 488.566 2.289 10 20 JECD CC(C)(C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)c1ccccn1 1839432955 BMFWCAGCNRRKAE-DEOSSOPVSA-N 489.956 2.194 10 20 JECD C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1839933331 LSQLWFFHRXRVAZ-DTDXPTDKSA-N 496.560 2.467 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)cc3)C2)C1 1840881585 XSBOEAKQZYRJCY-CZDPRXMLSA-N 488.924 2.240 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)C[C@H]2COc3ccccc3O2)C1 1841548595 JVIWGBNECGIKBF-IBGZPJMESA-N 474.517 2.213 10 20 JECD COc1cc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)ccc1Br 1845342809 BRVNEWYCPNZKFI-UHFFFAOYSA-N 498.424 2.135 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)c1 729064009 NGTYUMVOCAZJAH-ZIAGYGMSSA-N 452.471 2.008 10 20 JECD COc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c([N+](=O)[O-])cc1OCC(=O)O 730439429 JWNLTWORMALZRY-MLPAPPSSSA-N 456.454 2.133 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCc3ccccc3CN3CCCC3=O)CC2)cc1 742940452 VDCRJPXWMPXRIF-UHFFFAOYSA-N 465.598 2.439 10 20 JECD CS(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)ccc1Br 749125391 HVFJJPPWOOZUDM-UHFFFAOYSA-N 487.397 2.340 10 20 JECD COc1ccc(N2CCCN(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 749215175 OEMFNWHXBWFRIR-UHFFFAOYSA-N 451.571 2.266 10 20 JECD Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n(C)c1=O 754822362 NGXHBIKWLHUORR-UHFFFAOYSA-N 475.465 2.031 10 20 JECD Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cn2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 912771739 DCLOBNYATWNFEY-UHFFFAOYSA-N 473.511 2.103 10 20 JECD CC(C)C(=O)N1CCC(C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 918945468 QFQOLAYJBCPUPF-QZTJIDSGSA-N 477.577 2.493 10 20 JECD COc1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc(C(=O)O)c1OC 920866030 UDXRSIBLZICFNO-AWEZNQCLSA-N 450.513 2.278 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1784462227 HTLBZQKRMBTHOU-YASZXKAXSA-N 473.533 2.108 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1c(F)ccnc1Cl 1785481981 FLNKWAPYFIAXFD-QOKNQOGYSA-N 499.930 2.260 10 20 JECD CC(C)c1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1785547205 UBJMNRMORBQFBO-HSZRJFAPSA-N 475.636 2.043 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c(C)o1 1787537421 SJZJHEIBZNLQFX-XJABCFGWSA-N 464.522 2.283 10 20 JECD C[C@H]1CCc2c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)c(O)c(Cl)c5)[C@H]4C3)n[nH]c21 1790244967 IDLSRCMGFSHZMV-LLXPTAGJSA-N 474.945 2.431 10 20 JECD COc1cc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)n(C)n1 1792313931 LNPLCAITYDOWIH-UHFFFAOYSA-N 473.580 2.037 10 20 JECD COc1ccc([C@@H](O)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1792789352 NWIQBWRCMPBWCX-SSYAZSBWSA-N 476.533 2.160 10 20 JECD Cc1nn2cc(CC(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)/C=C/c3ccc(O)c(O)c3O)C4)nc2s1 1793905684 KEIFCRKZZJVTNR-SATNDUHCSA-N 483.550 2.110 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1c[nH]c2ncccc12 1796879678 AQCSDHKUBRPSRI-IVWMJMPLSA-N 456.886 2.145 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)Cc1ccccc1 1801797076 JNBQXDXBJXBQJS-DQKVDQNHSA-N 452.507 2.058 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1802257509 IFNBYLNPTMKVLC-WPSISMMJSA-N 472.538 2.434 10 20 JECD C[C@H](Sc1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1802897698 PHFBRDCMIFLURX-XQLPTFJDSA-N 464.638 2.061 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccc(=O)oc1 1806121090 IHVHZFRQJFTTNL-JFWNXEFNSA-N 477.473 2.185 10 20 JECD Cc1nc(C(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)c(=O)[nH]c1C 1807459998 DNJHDWXTHFMUAC-UHFFFAOYSA-N 490.564 2.024 10 20 JECD Cc1noc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)n1 1807530211 WIUVPMAODMQRJR-XOBRGWDASA-N 471.901 2.400 10 20 JECD Cn1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(C(F)(F)F)n1 1807994845 KMLAEWOAZKECMJ-UGSOOPFHSA-N 490.442 2.274 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1nc[nH]c1[N+](=O)[O-] 1808372186 QLLZMIPLXVTHQZ-PXAZEXFGSA-N 486.872 2.411 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccon2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468790 YARATYQHWMEYHX-JTSKRJEESA-N 458.478 2.182 10 20 JECD CC(C)(C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccn1 1814192173 SHIPEVPWKBOBFL-UTKZUKDTSA-N 497.646 2.321 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cc2cncnc2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146081 RMOOMWKXPGOZQY-HXUWFJFHSA-N 472.509 2.227 10 20 JECD Cn1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)n1 1818146248 ALKMTAUFNSMUHO-HXUWFJFHSA-N 474.525 2.171 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(O)c(F)c2)[nH]n1 1823499470 HTGKAUTVVHGXLK-CQSZACIVSA-N 477.543 2.421 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(C(F)F)c1)CCO2 1833322042 JBFCWIYFJOYZDW-QFIPXVFZSA-N 497.882 2.468 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1F)CCO2 1838856330 AXJYNKVYOZINDA-QFIPXVFZSA-N 464.877 2.274 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn[nH]c4)C3)C2)cc1 1839348574 WEYGXSPOVIVBKJ-VWLOTQADSA-N 463.538 2.201 10 20 JECD CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1841220046 RMUNFTTUCKFFRK-IBGZPJMESA-N 482.537 2.405 10 20 JECD CCOc1cccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1O 1847039499 WXTUDPGINZAFFM-CSKARUKUSA-N 454.479 2.438 10 20 JECD C[C@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 105205281 PQXWFFGOHOVKCU-KBPBESRZSA-N 453.472 2.281 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCCc3nnc4n3CCCCC4)cc2)C1 727600508 JXYPFVWOUAJUFR-IBGZPJMESA-N 453.591 2.138 10 20 JECD CCCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 728022537 RBJLTEWCPNVFRW-UHFFFAOYSA-N 465.597 2.003 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1 729067625 VVHQPMWQJJZVGK-HNNXBMFYSA-N 461.540 2.391 10 20 JECD CNC(=O)COc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 729789540 QNGVBESJDDGODP-UHFFFAOYSA-N 476.480 2.137 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 749125619 XFOQGFSWEHJVBU-GOSISDBHSA-N 453.561 2.193 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CNC(=O)c1cc(-c2ccccc2)on1 749316805 KDGXWOZNPNHTCM-UHFFFAOYSA-N 450.495 2.339 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 916745330 LLWUFWIQYKAUEX-UHFFFAOYSA-N 455.536 2.102 10 20 JECD COC(=O)CCOc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 917734792 FPYJOJKSDNELJR-UHFFFAOYSA-N 462.933 2.454 10 20 JECD COc1cc(C(=O)NCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1OC(F)F 918373362 WUIZESOEMCJMSW-QGZVFWFLSA-N 490.507 2.045 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2F)C[C@H](C)O1 918965876 MPOGLSCUBTVCFV-GJZGRUSLSA-N 483.496 2.138 10 20 JECD O=C(COC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)NCc1ccc(N2CCOCC2)c(F)c1 918973220 NBUHQMDMEHVNHD-UHFFFAOYSA-N 497.445 2.271 10 20 JECD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)C2=O)cc1 919970899 IIAYZDMKVCJUMQ-VWLOTQADSA-N 468.529 2.179 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1 920253246 WETBFUMYDMQYCV-ZBTGYSDGSA-N 450.495 2.258 10 20 JECD COCCN1C(=O)/C(=C/Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C(=O)NC1=S 920978688 DMMFGFYUWBWLFO-NTCAYCPXSA-N 454.464 2.011 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(C(=O)Cc4ccccc4F)CC3)CC2)cc1 921241614 XTOFJWZHVRCUAU-UHFFFAOYSA-N 497.615 2.443 10 20 JECD COc1ccc2c(c1)CC[C@H](CC(=O)N1CC[C@]3(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO3)C2 1778227427 XDUZCRYAGNUBEQ-QLXKLKPCSA-N 481.549 2.140 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1ccc2cc[nH]c2c1 1778466759 QJTISQKBYMPOKP-WZONZLPQSA-N 486.619 2.156 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NNC(=O)C2)C3)cc1 1780987889 LTPKRXAPNCCUQL-ATIYNZHBSA-N 477.565 2.098 10 20 JECD Cc1cccc2c(C(=O)N3CC[C@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)n[nH]c12 1782478534 ARXWBRLNVCYOCI-VQEXNLMWSA-N 478.505 2.145 10 20 JECD C[C@H](Cn1ccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1782547725 TTYNWWLJFHPPNK-NFHUAXAMSA-N 476.961 2.412 10 20 JECD O=C(CC[C@H]1CCOC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1782773911 MHGMXFJGRXPAJZ-MHCIYYHBSA-N 474.554 2.147 10 20 JECD Cc1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)cs1 1790243049 PCMKFSFIHZAMKQ-QITLCBANSA-N 465.959 2.352 10 20 JECD Cc1ccccc1NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792218930 WXVXMYVSZXAODV-AOPCHSIOSA-N 481.549 2.217 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1798874911 WZSFNBGXSZHLCM-RBVVOMGSSA-N 488.470 2.484 10 20 JECD CC(=O)c1cc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n[nH]1 1805262482 BPXLDDKWCOXPLN-FERYEXAHSA-N 491.504 2.157 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)C1CCOCC1 1806697049 BPKUQTGBFKFTAS-HYBUGGRVSA-N 475.549 2.307 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)C1(O)CCC1 1808464425 LTNQOZYAQIJBLH-FPGHNAPASA-N 489.576 2.431 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ncc1[N+](=O)[O-] 1808662579 LVRATDXBWINIIK-VFNWGFHPSA-N 478.465 2.133 10 20 JECD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810549983 NBWDYVWMUWJKCD-QGZVFWFLSA-N 466.538 2.156 10 20 JECD Cc1nc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)c(=O)[nH]c1C 1811797086 AYYVCLZMMJMVMK-FOIQADDNSA-N 497.939 2.480 10 20 JECD COc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1811925884 JIAXDQLFKYDMSS-LAUBAEHRSA-N 484.603 2.270 10 20 JECD CN(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1814189944 LJKNDATWOGJRBC-GCJKJVERSA-N 497.646 2.328 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1814676956 ZQGGVEKZRFRYCX-SWLSCSKDSA-N 474.518 2.435 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)Cn3cc(Cl)cn3)sc2C1 1815416556 PHFYKYNSJJLLBC-NHEDYWLLSA-N 489.941 2.435 10 20 JECD O=C(CCn1c(=O)oc2ccccc21)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816721388 KHWWVSUEEXEPHJ-CYBMUJFWSA-N 495.517 2.173 10 20 JECD COc1ncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cc1F 1817843984 MCCZWFYFFQXAGR-OAHLLOKOSA-N 456.434 2.378 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)c2ccccc2)CC1 1826659453 XJHFUCYFFBLHSO-WIYYLYMNSA-N 475.636 2.200 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)n1 1827426862 KZVAYGQUVOKJQJ-LJQANCHMSA-N 467.526 2.393 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1829091171 SZPOIAUAROZGRD-AVRDEDQJSA-N 479.581 2.090 10 20 JECD CCOC(=O)N[C@@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739961 VSUCXYAMQMSVPZ-LPHOPBHVSA-N 483.949 2.049 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2nc3ccc(F)cn3n2)CC1 1831047251 RYBRSZBZWCEZKL-QGZVFWFLSA-N 468.489 2.222 10 20 JECD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)nc1C 1833693545 NQZLFEBVWHHGRN-HSZRJFAPSA-N 475.929 2.147 10 20 JECD Cc1cc(CCC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)ccn1 1837103827 WCHNJYIUOQVYBA-UHFFFAOYSA-N 468.554 2.441 10 20 JECD CC(=O)C[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838785339 HXTBBHRXWNOIET-NBUZRDOWSA-N 474.554 2.430 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2ccc(=O)oc2)C1 1842575859 XHGMACHRKSFNCJ-HXUWFJFHSA-N 496.564 2.175 10 20 JECD Cc1onc(-c2ccncn2)c1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1844670372 ZRYYFWBTMAFUOD-GQCTYLIASA-N 477.477 2.087 10 20 JECD COc1ccc(CC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c([N+](=O)[O-])c1 1847038334 OACGYBLXKPIFEL-VMPITWQZSA-N 483.477 2.180 10 20 JECD CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1847039319 FHOWEVISALEXOE-XSCLSICSSA-N 499.564 2.277 10 20 JECD Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)c1 15411490 AMLKEPVZOITJIO-UHFFFAOYSA-N 458.628 2.334 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)NCC(C)(C)c3ccc4c(c3)OCO4)nnc2n1 109465969 HZBZXNGGVLUERA-UHFFFAOYSA-N 472.575 2.298 10 20 JECD Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cn1 725887711 WDHKEYIRAMGEGA-UHFFFAOYSA-N 493.586 2.313 10 20 JECD COc1ccc(N2CCN(CCNc3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)cc1 742928330 NIQFCJMEESLPLX-UHFFFAOYSA-N 469.542 2.310 10 20 JECD CC(=O)NCCCNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 914453751 QZWGIZNBOGXXIF-NTEUORMPSA-N 456.387 2.293 10 20 JECD Cc1cc(=O)c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nn1-c1ccccc1F 919017891 QYSHPOROMBYLQE-UHFFFAOYSA-N 498.486 2.129 10 20 JECD COC(=O)c1cccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)n1 919761509 GHQZBNVNKSEGEL-UHFFFAOYSA-N 450.474 2.054 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3cc(F)cc(F)c3)cc2F)C[C@@H](C)O1 920655535 DMZNAFOFLPGJMY-HUUCEWRRSA-N 493.482 2.307 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cccn4ccnc34)C2)C1 1778581732 JGYWAZJVIFMBDG-QFIPXVFZSA-N 456.886 2.156 10 20 JECD CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1)C(=O)O 1780987856 HIVNMXLDHOANJL-AZSVPQILSA-N 496.608 2.284 10 20 JECD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)n1cccn1 1781122909 AQWDQIKTOBXPOW-GKIWIXTESA-N 462.934 2.336 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007550 HHMRZWJTZIWLKG-QFIPXVFZSA-N 483.949 2.108 10 20 JECD Cc1noc(-c2ccccc2)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787292343 SZVURCKZNLNPEK-WDSOQIARSA-N 478.505 2.363 10 20 JECD CN1CCC[C@H](C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)C1 1792314976 PVMKLJMKXJAGKH-HNNXBMFYSA-N 460.625 2.323 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1c[nH]c3ccccc13)C2)C1=NN(c2ccccc2)C(=O)C1 1796480697 FZCSEJOAPFDWTB-XTIHSXFESA-N 485.544 2.093 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(Cl)nc2ccccc12 1796941657 JBNJZGXSVJEZQO-GFENJXEQSA-N 468.897 2.211 10 20 JECD Cc1nn(C)cc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1803826256 ZCWSYUIHSUXPRK-DVECYGJZSA-N 485.548 2.236 10 20 JECD CC(C)(C)OC(=O)C(C)(C)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804335953 NQPUMEPXXVBFRV-QDMKHBRRSA-N 483.656 2.243 10 20 JECD CN1CCC[C@H](C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)C1 1807546831 ZDRMETHCBQMRQO-TYBLODHISA-N 488.592 2.222 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3ncncc3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994734 BDRIDCNOMCVEFU-GAJHUEQPSA-N 470.489 2.464 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCc2cn[nH]c2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808464133 JLTSQKKWSAQKFH-NBGIEHNGSA-N 485.548 2.236 10 20 JECD Cc1nnc(CC(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)s1 1810102266 BBRQCCZPEJELNA-UHFFFAOYSA-N 480.594 2.413 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)Cc2cccs2)[C@H]1c1cccnc1 1814189154 MNTTWPMSGOBIEW-QRWLVFNGSA-N 474.633 2.252 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)CCc2ccoc2)[C@H]1c1cccnc1 1814191050 GJUFFQKPAORPNZ-UWJYYQICSA-N 472.592 2.174 10 20 JECD Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cn1 1815980422 NEFXGYIRIMGSDV-MRXNPFEDSA-N 472.596 2.208 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccn2nccc12 1821464486 CYLKSOPGSSJNTJ-INIZCTEOSA-N 483.579 2.224 10 20 JECD CN1CCCC[C@@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1822587165 AQJPNTIULRGAAJ-DNVCBOLYSA-N 480.594 2.332 10 20 JECD O=Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)s1 1823497980 JQFGSSZTTYOAIY-CYBMUJFWSA-N 477.593 2.450 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)CC2CCOCC2)CC1 1826735679 HUXPXFPCXRNMAU-SFHVURJKSA-N 467.657 2.283 10 20 JECD Cc1occc1C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240129 NPNYTGKMGWVSNJ-JTQLQIEISA-N 450.567 2.131 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCC=CO2)CC1 1828900095 OCNFUQPHINNFLV-DLBZAZTESA-N 451.614 2.159 10 20 JECD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1F 1830151425 SWLFUUHGAKKMOM-QHCPKHFHSA-N 494.903 2.283 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)Cc2cc[nH]n2)CC1 1831192218 LNYFGIBYZNYWAW-JOCHJYFZSA-N 462.554 2.365 10 20 JECD Cc1cccc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1839368064 DEDNXIULXRDGCY-MHZLTWQESA-N 490.560 2.166 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1839434038 JXRXVRLQDCRNSH-HSZRJFAPSA-N 486.912 2.011 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441539 DTRLIEXHCZXYIP-UHFFFAOYSA-N 474.443 2.049 10 20 JECD O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCc1ccc(N2CCOCC2)cc1 108808316 HTALCESBWOGDBV-UHFFFAOYSA-N 457.596 2.387 10 20 JECD CS(=O)(=O)Nc1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1Cl 116182383 VMSCQKYYGPRHGH-MRXNPFEDSA-N 464.975 2.343 10 20 JECD C[C@@H](OC(=O)Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 728369885 VUXPJFLEKULOJN-CQSZACIVSA-N 492.509 2.222 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)C[C@H](c3ccccc3)N3CCOC3=O)CC2)cc1 728376380 QCQNJDVVTMMQIM-JOCHJYFZSA-N 467.522 2.471 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)cc2)C1 918466049 XMJIGPWIZRRRGM-CVDCTZTESA-N 480.565 2.201 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](C(C)C)n3nnc(-c4ccccc4)n3)CC2)cc1 919738597 SWRBXMGAOFVINM-HSZRJFAPSA-N 478.553 2.438 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cccc(F)c1F)C2)c1cc(O)nc(O)c1 1777851212 VXRACZBKTJECAU-UZUQRXQVSA-N 461.465 2.141 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1c[nH]c2nccc-2c1 1777896483 KKWLKOPZYGKKGJ-ZYAZBWOASA-N 492.532 2.472 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3cc4cc(F)ccc4s3)C2)C1 1778537013 FYGPSOSUWIXKGG-OAQYLSRUSA-N 493.607 2.344 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1779611733 GCEVBNUQNQNGRK-QHCPKHFHSA-N 483.912 2.294 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc[n+]([O-])cc4)CCO3)C2)cc1 1781753575 DVDXNOYKZYTUKD-AREMUKBSSA-N 460.534 2.485 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)cc1 1782960857 UPFOLTHPXQTTSI-WIOPSUGQSA-N 485.606 2.115 10 20 JECD CC(F)(F)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783245440 WJGPTVPLIXSWFL-ZUOKHONESA-N 477.599 2.042 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4ccccc4O3)C2)C1 1783845413 JZVHYJCWIFTOBY-PKFZZQOQSA-N 480.517 2.040 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)CCc1ccccc1F)CCO2 1785510149 FJFYOFVUGHBUDR-CZNRWDAFSA-N 470.497 2.418 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3cc4cccnn4n3)cc2)CCC1 1789991310 HOKQIFMHVOVJTQ-UHFFFAOYSA-N 480.575 2.337 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc(Cl)n3)C[C@@H]21 1792217736 KQDLUQAEFFGYKG-OTXCBPGVSA-N 487.940 2.087 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2ccc(O)nn2)cc1 1800179570 CJDBQXPBRMSGJM-VSVJTWGKSA-N 489.576 2.426 10 20 JECD O=C(CC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)Nc1ccc(F)cc1 1807999861 NJJOAECMTMQVGN-VOIUYBSRSA-N 493.495 2.375 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cnn2ccccc12 1809075473 ZWZSVAZXIVLFLJ-KSFYIVLOSA-N 458.478 2.169 10 20 JECD CC(C)n1nccc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810890743 MKZLUIDZEMHTFO-HRAATJIYSA-N 450.499 2.299 10 20 JECD Cn1ncc(Br)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817845154 CRDBFKKIISELKU-CYBMUJFWSA-N 490.318 2.332 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)c2ccncn2)[nH]n1 1823475536 VZOOHKJYOVPNPU-BIENSFFJSA-N 450.455 2.336 10 20 JECD CC(C)O[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823499994 JGZCJHYPVJLCBW-GXTWGEPZSA-N 453.590 2.076 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)ncn2)[nH]n1 1823500141 RWGNSPBLNZVGAJ-LBPRGKRZSA-N 479.975 2.019 10 20 JECD CN1CCC[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)C1 1828197811 LQMGDYRJSGJINM-LTBMOJJQSA-N 472.567 2.227 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1nccc3[nH]ccc13)CC2 1828242565 MXOOQAMVSRDVAN-JTQLQIEISA-N 486.604 2.106 10 20 JECD Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1F 1830107435 RBVYUTZCXANYBO-UVXPNCNTSA-N 486.496 2.034 10 20 JECD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)c1ccc(Cl)cc1 1830261227 RZVHNMDDKOFOBC-IQMFZBJNSA-N 475.929 2.020 10 20 JECD O=C(Cn1ccccc1=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877494 OHTUPUVVIJFZBI-CSNYQSHPSA-N 481.549 2.298 10 20 JECD CC(C)CC(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1834412553 FHZRYSYVJCQXTN-UHFFFAOYSA-N 453.587 2.397 10 20 JECD O=C(Cc1cccs1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1836091342 QIZQDCLDKBARJF-NRFANRHFSA-N 466.943 2.125 10 20 JECD O=C(Cc1ccncc1)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838110482 NRGYAZFCNSEZHR-UHFFFAOYSA-N 489.576 2.416 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)C2(C(=O)Nc3ccccc3)CC2)C1 1841641114 LNBPNGZMXZYWAV-CSKARUKUSA-N 477.517 2.439 10 20 JECD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1845500503 IOQFFNLGVREWKS-KRWDZBQOSA-N 495.960 2.204 10 20 JECD CC(C)(C)OC(=O)Nc1ncc(CC(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)s1 1846559217 GMSXUWQBBBEUCT-UHFFFAOYSA-N 489.554 2.356 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CCc3ccccc3[C@H]2O)=NN1c1ccccc1 1847598169 ONVWPHBBPOLPIB-KUVYTWDVSA-N 472.545 2.277 10 20 JECD CC(=O)N1CCN(c2ccccc2CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 726104242 YYHLAPWKEOQMTM-HSZRJFAPSA-N 492.624 2.056 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)c1 731207756 UWOJGCMMZKZQLH-CJFMBICVSA-N 486.657 2.240 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)cc2F)C[C@H](C)O1 748227131 FWOOCQIMOUFETK-HOTGVXAUSA-N 473.505 2.463 10 20 JECD O=C(O)c1cc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1O 917911349 FQAJHIBOAHNOME-UHFFFAOYSA-N 460.430 2.424 10 20 JECD O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCc1ccc(N2CCOCC2)c(F)c1 918138754 RLJPZFGIRUGZPK-UHFFFAOYSA-N 455.939 2.301 10 20 JECD O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918645722 XKSZRKXJYHVWSN-UHFFFAOYSA-N 471.579 2.282 10 20 JECD C[C@H](OC(=O)CN(C)C(=O)[C@H](C)n1cccn1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 920542351 CQMPHNWZFYPSBX-HOTGVXAUSA-N 488.500 2.248 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)nc4ccccc34)C2)C1 1777761511 RUOXNHPVADESNJ-HHHXNRCGSA-N 499.527 2.177 10 20 JECD Cc1cc(C)n2ncc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)c2n1 1777778269 URBUCUYBEOQELZ-QHCPKHFHSA-N 485.928 2.168 10 20 JECD CCSc1cccnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777851041 LUZSLCCZNWRBBB-UZUQRXQVSA-N 472.567 2.441 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)ccc3F)C2)C1 1781607761 RUECZLINGMCGBP-NRFANRHFSA-N 450.850 2.353 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)C1Cc3ccccc3C1)CCO2 1785511197 DINZTUSVRSURQL-WHVGEVHXSA-N 464.518 2.062 10 20 JECD CS(=O)(=O)Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)cn1 1788427901 DNARVULTLJRAGY-UHFFFAOYSA-N 496.545 2.494 10 20 JECD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(Cl)c1 1801799398 TZHSIVQRUXAOJV-GCZWLPJRSA-N 488.924 2.382 10 20 JECD O=C(c1cc(O)nc(O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](C(F)(F)F)CC1 1801993690 DLPAUQZUBJYGQH-MLJXYAANSA-N 457.449 2.065 10 20 JECD CN(C)c1cncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)c1 1804283994 VOUGONGHNISFLP-DTUWPTEXSA-N 452.511 2.230 10 20 JECD Cn1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc2ccccc21 1804333717 PPRMXBPLUCKSLC-MUJYYYPQSA-N 456.593 2.290 10 20 JECD CN1CCC(C(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)CC1 1804935844 ARFSGSNLMVPEMB-UHFFFAOYSA-N 465.598 2.352 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3N2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001582 URBRGXMSRYKTFC-KPDCDPCYSA-N 459.506 2.244 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccc2[nH]ncc12 1808031886 PZDDFNDSPUQHDT-IVZQSRNASA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808467445 GWASKFZCHJKLEJ-ZEYPLWLESA-N 461.522 2.059 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cnc(Cl)s1 1811034936 FPHNFMFUAQDRAY-WBMJQRKESA-N 496.039 2.371 10 20 JECD Cc1nc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)sc1C 1811259861 CAIIQUAAUOEBIB-QAPCUYQASA-N 489.648 2.335 10 20 JECD Cc1cncc(CCC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1814186293 ZSBJMIMIWHPYHW-CVDCTZTESA-N 497.646 2.284 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CNc3ccccc31)CC2)c1cc(O)nc(O)c1 1816722863 ZXYHGJQAADYTBU-TZMCWYRMSA-N 451.508 2.384 10 20 JECD COc1cccc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)n1 1834051312 JLVQNVJIEXVREB-SOFGYWHQSA-N 496.564 2.106 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(=O)oc2)CCO3)cc1 1834597117 USVRSPGMLMSKEM-MHZLTWQESA-N 491.544 2.431 10 20 JECD COc1cc(OC)cc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1844915352 VVMANMIRUFULHG-UHFFFAOYSA-N 462.506 2.314 10 20 JECD O=C(CCc1cnccc1C(F)(F)F)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1848141771 HGZLZXWEAQNZMP-HOTGVXAUSA-N 450.417 2.355 10 20 JECD Cc1cc(C(=O)NCCN2CCS(=O)(=O)CC2)c(C)n1-c1ccccc1Br 303107235 AHKBRTSASSLLCE-UHFFFAOYSA-N 454.390 2.317 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cccnc3S[C@H](C)C(=O)N3CCCC3)nc12 726225117 ZCZHLTWGDUBZEW-CQSZACIVSA-N 499.549 2.467 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H]2CCCOC2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 727911911 WQRKOHDIMCJVTK-IBGZPJMESA-N 490.578 2.268 10 20 JECD CCOC(=O)N1CCCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 748458241 WHDQOHAWMHGEOM-UHFFFAOYSA-N 485.564 2.316 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccccc3S(=O)(=O)N3CCCCC3)cc2)C1 917831835 BCLUUPBVZOKBDO-HXUWFJFHSA-N 484.622 2.493 10 20 JECD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N(CC)CC)cc2)c2ccccc2O1 918429836 QARCOMCLIJDJJV-JOCHJYFZSA-N 452.555 2.469 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(N4CCCCC4=O)c3)cc2)C1 918466028 WVFCMBDBJBOMRD-IBGZPJMESA-N 477.565 2.160 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc4nc(O)[nH]c4c3)cc2F)C[C@@H](C)O1 919087193 KYXVKOKCTFEMGL-OKILXGFUSA-N 456.474 2.494 10 20 JECD CCC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919700965 JGNMCLMFTSAMNG-NRFANRHFSA-N 454.550 2.350 10 20 JECD CN(C)C(=O)CN(C)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 920432144 LPWHQQGNZJQPON-JYRVWZFOSA-N 456.387 2.197 10 20 JECD CC(C)CN1C(=O)/C(=C\Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C(=O)NC1=S 920978990 ZHSLJJIDAIIJAO-ATVHPVEESA-N 477.612 2.133 10 20 JECD Cc1cc(C)nc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=S)N(CC(C)C)C3=O)cc2)n1 920980663 VBYVWGKCFOQSFL-LICLKQGHSA-N 488.595 2.089 10 20 JECD CC(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C2)C1 1779002419 POOHWVLLWIRCBB-CJAUYULYSA-N 491.585 2.020 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1noc3c1CCCC3)CCO2 1782001194 GUIUUZLACHTKHI-QFIPXVFZSA-N 461.902 2.375 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)n4cncn4)C3)C2)cc1 1784477588 UIVGMPYSNIEUEV-CPJSRVTESA-N 462.554 2.390 10 20 JECD C[C@H](Cc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1791489861 AEHJKTWJRWLING-OQZHBAMCSA-N 489.576 2.033 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc2cc(F)c(F)cc2[nH]1 1797339919 CJOXWAXSLDHLFK-HWAHWKQGSA-N 499.470 2.480 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(NC(=O)C2CC2)cc1 1800287346 UEKQPHMRKRICNL-BCDXTJNWSA-N 486.619 2.147 10 20 JECD CC(C)[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1ccc(F)cc1 1800883017 CIWOQMUKMCOHEJ-GQSCTRQFSA-N 493.626 2.015 10 20 JECD COc1ncccc1CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804544218 UWUXBZLKKYYNMD-MBSDFSHPSA-N 477.521 2.244 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)[C@H]1CNc2ccccc21 1807173927 BLERCLCKIWMZCQ-NVVBAYIOSA-N 459.506 2.417 10 20 JECD C[C@]1(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)CCCN1 1808469328 LOYFUEFBAFVOCG-RQADYFSKSA-N 474.565 2.022 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1cc(O)no1 1810984093 TZUBXHFRBXRNHA-KPZWWZAWSA-N 458.858 2.473 10 20 JECD CCc1cc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)nn1C 1811138674 HSFJETPCLHYFCN-CLOONOSVSA-N 499.575 2.490 10 20 JECD CC(C)n1cnc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1814164372 ZJRZWAJTHYKKAJ-RQCLJNFQSA-N 492.536 2.404 10 20 JECD Cc1cc(CCC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)ccn1 1814185569 SMSRJJMPRPUQPU-CVDCTZTESA-N 497.646 2.284 10 20 JECD CC(C)(O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1817060821 CNHISWOEHUOVOB-SFHVURJKSA-N 452.515 2.356 10 20 JECD CCc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n[nH]1 1817362292 JZCAARRAXZCDSA-CQSZACIVSA-N 477.550 2.447 10 20 JECD O=C(CCc1cnc[nH]1)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364496 UGIZQKCVXRPHQP-CQSZACIVSA-N 477.550 2.204 10 20 JECD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1)n1cncn1 1818147970 SJDQEZWFZNUOCO-BEFAXECRSA-N 475.513 2.047 10 20 JECD Cc1nc(C)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)o1 1819804120 RUVCVJALPYDCSG-ZDUSSCGKSA-N 462.557 2.181 10 20 JECD Cn1cncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476573 IRNBNCCCYINGOK-VFADXPBXSA-N 452.471 2.279 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2Cc3ccccc3O2)[nH]n1 1823500114 PXPCCMNOWOMZAU-DOTOQJQBSA-N 485.591 2.266 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCOC1)CC2 1828199739 FQUHYKOPSCRPQA-JFILWDKHSA-N 459.524 2.312 10 20 JECD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cnc1C 1833301959 NWJRAGMRIHKHFG-QHCPKHFHSA-N 475.929 2.147 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CC2)CC1 1838030208 FLQPZESOHVFCKX-UHFFFAOYSA-N 486.481 2.033 10 20 JECD COc1ccc(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1 1839433372 SPKKXGJDFYCAQB-DEOSSOPVSA-N 490.940 2.452 10 20 JECD Cn1ncc2c(C(=O)N3CC4(CCCN4C(=O)c4cc(O)nc(O)c4)C3)cc(Br)cc21 1843250307 JBMKJZSQUQXWND-UHFFFAOYSA-N 486.326 2.273 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cc3cc(Br)ccn3n2)C1 1844148493 XQJFPTBJVOAQKN-UHFFFAOYSA-N 472.299 2.034 10 20 JECD O=C(Nc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)cc1)c1ccco1 1845554028 NQUVGHHGXIBHKI-UHFFFAOYSA-N 462.462 2.469 10 20 JECD COc1cc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)ccc1[N+](=O)[O-] 1847037900 YQIYTYIVMOJKNT-VMPITWQZSA-N 469.450 2.251 10 20 JECD COc1ccc(C2(C(=O)N3CC4(CCCN4C(=O)CN4C(=O)CSC4=S)C3)CCC2)cc1 1847054723 MFQGYRFLBZIGQS-UHFFFAOYSA-N 473.620 2.181 10 20 JECD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(N4CCCS4(=O)=O)cc3)cc2F)C[C@@H](C)O1 726794648 HBHZRYYWPNOSPC-IAGOWNOFSA-N 497.614 2.458 10 20 JECD C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)C1 731280830 DWFBZDFREFIPQS-CTNGQTDRSA-N 489.636 2.309 10 20 JECD CC(C)[C@@H](C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCCC1=O 748565106 QISWTGGMLCYERC-QFIPXVFZSA-N 454.550 2.206 10 20 JECD Cc1nn(C)c(=O)c(C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1C 878586905 DTQSATWCRVSODU-CQSZACIVSA-N 459.458 2.357 10 20 JECD CCOC(=O)c1c(NC(=O)COC(=O)CN(C)S(C)(=O)=O)sc(C)c1-c1ccccc1 914925015 LBULKZPTVSETLE-UHFFFAOYSA-N 468.553 2.273 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCCOc3ccc4c(c3)OCO4)CC2)cc1 916197631 ZHKTUJSYWNUOJX-UHFFFAOYSA-N 456.543 2.314 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(CCNS(C)(=O)=O)cc3)cc2F)C[C@H](C)O1 917712681 QGADDJQZZUITTD-IRXDYDNUSA-N 463.575 2.461 10 20 JECD Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 917712693 QLGSZBVTDCIFLZ-KBPBESRZSA-N 455.538 2.325 10 20 JECD CCCCS(=O)(=O)N1CCC(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 919360422 BJGHKRMXAMNAPA-UHFFFAOYSA-N 453.605 2.096 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 920252169 WXVYAUHYDPCYQR-ZHACJKMWSA-N 452.530 2.388 10 20 JECD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 920881229 DQZNQRZKQZJQAZ-OAHLLOKOSA-N 450.543 2.092 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cc(F)ccc3F)C2)C1 1780492183 OBRUQQMEUDVSBP-VWLXRYFESA-N 460.433 2.239 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnsn1)C2)c1cc(O)c(O)c(Cl)c1 1781119724 XCCNAEANTOFXFX-DNVCBOLYSA-N 452.920 2.044 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc(C(F)(F)F)c3F)C2)C1 1781623752 SIDJYSQUAAGLNE-HXUWFJFHSA-N 469.391 2.408 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(F)c(F)c3Br)C2)C1 1781901360 VKBUFFWPESQZRX-FQEVSTJZSA-N 498.280 2.291 10 20 JECD O=C(CCc1ccc(F)cc1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1782029217 SJCAKEFPRWHMJG-NTKDMRAZSA-N 457.502 2.392 10 20 JECD Cc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(C)n1 1785510121 FAFDFRBWABXTKB-ZRFNAWPJSA-N 481.549 2.291 10 20 JECD O=C(COc1ccc(Cl)c(Cl)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1786487322 WFXQNLRPXIOYMO-QITLCBANSA-N 496.347 2.472 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242049 IZCHBJDGCWLSNQ-VHFSOBRXSA-N 460.914 2.424 10 20 JECD CCOc1cnc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)cn1 1792314059 NZXRUXMCKIGNQQ-UHFFFAOYSA-N 485.591 2.483 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C12CC(C(F)(F)F)(C1)C2 1793712051 FJLVBJCBSJXOSV-YPTPHNLFSA-N 461.531 2.218 10 20 JECD COc1ccc(-c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CN3C(=O)CSC3=S)C4)n[nH]2)cc1 1796952680 QEJUQXIUGLVURJ-MUJYYYPQSA-N 499.618 2.197 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncc[nH]1)C2 1798418684 ZDXGBNRVTWRRQJ-XMTFNYHQSA-N 499.568 2.209 10 20 JECD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)ccc1F 1799570162 LFXDKYSFISDEIN-FEJSZKPUSA-N 464.497 2.130 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(F)F)cc1 1800474317 IDOZOOPAMKEWCB-BTTYYORXSA-N 469.535 2.400 10 20 JECD COc1ccc(Cl)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c1 1803513358 NSBMPWVWAUIGAD-CLLJXQQHSA-N 468.000 2.461 10 20 JECD O=C(Cc1ccc2c(c1)CCCO2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804333443 NKBKIWTVLQSKDC-BCDXTJNWSA-N 473.620 2.053 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccsc1 1805429520 WEPYCUZGZLIKCK-KDOFPFPSSA-N 460.606 2.323 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cnoc1C1CC1 1806143767 GIGOYNWGHFPPAA-BEFAXECRSA-N 485.591 2.127 10 20 JECD O=C(Cc1cccs1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1807551759 YVSQHFWIBQBWHV-FOIQADDNSA-N 474.633 2.252 10 20 JECD COc1ccccc1CC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807998480 KBNIUDRJEIWEHX-MHECFPHRSA-N 462.506 2.459 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n(C)n1 1808463266 BDUWSUKGFBEEEZ-YADARESESA-N 485.548 2.236 10 20 JECD Cc1nc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)co1 1808467692 JKYPSWVLVLTANN-JPYJTQIMSA-N 472.505 2.491 10 20 JECD Cc1ccccc1NCC(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1809918928 JDRWHFYJRNJNLB-UHFFFAOYSA-N 474.652 2.498 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728388 NWOYPPXQGXGRSI-WFASDCNBSA-N 453.524 2.449 10 20 JECD CS(=O)(=O)c1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cc1 1817115376 ZTDZQOPQGMMMPT-SFHVURJKSA-N 499.549 2.168 10 20 JECD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)n1ccnn1 1821722260 VEFZLFCGNXTAIY-HNAYVOBHSA-N 475.513 2.047 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccn2)CC1 1825332517 KRWSTZGRZWEPCF-LJQANCHMSA-N 474.652 2.494 10 20 JECD N=C(N)SCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1826782703 AFSTZIIODFRDJY-IBGZPJMESA-N 470.599 2.026 10 20 JECD O=C1CSc2ncc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)cc2N1 1830975196 JHGAEBYQSMHGRX-GOSISDBHSA-N 497.577 2.479 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1831132041 VQCXKVVUXJYSLP-PKOBYXMFSA-N 482.716 2.444 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1csc2c1CCCO2 1834966598 VTZDLZYNEIMTLK-UHFFFAOYSA-N 486.594 2.378 10 20 JECD O=C(Cc1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431769 MGJPLVUEPJDLNV-HSZRJFAPSA-N 478.904 2.203 10 20 JECD O=C(N[C@@H]1CCC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)OCc1ccccc1 1843250396 SYSDPTSVFXKVSF-WOJBJXKFSA-N 494.548 2.405 10 20 JECD O=C(CS[C@H]1CCCCO1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441491 BOPWNGJBRPNGNO-NRFANRHFSA-N 456.568 2.243 10 20 JECD COc1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1N(C)C 1845115846 RQFHVQAKZVXQIT-JXMROGBWSA-N 467.522 2.408 10 20 JECD COc1cc(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)ccc1Br 1845342072 ZESROMKHTSJSJR-UHFFFAOYSA-N 462.300 2.395 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cnn3cccc(F)c23)C1 1845720457 NTBPGSPOQUBULS-UHFFFAOYSA-N 460.469 2.083 10 20 JECD COc1ccc(F)cc1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1846804034 PJAIVBOGUMLTNF-UHFFFAOYSA-N 450.470 2.444 10 20 JECD CN(C)CCNC(=O)c1cccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 727479149 AHYVKISUNBIWMY-UHFFFAOYSA-N 467.614 2.186 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3ccc(F)c(-n4nnnc4C)c3)CC2)cc1 727939211 XJVPCFDMWVRRQE-UHFFFAOYSA-N 454.510 2.062 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCN([C@@H]2CCC[C@@H]2O)CC1 728746237 RQDLAVPIMOGJDN-UXHICEINSA-N 456.509 2.283 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cccc(Oc2cnccn2)c1 918285122 ZLMRWZKXIQMFKH-UHFFFAOYSA-N 451.458 2.500 10 20 JECD CC(C)[C@@H](CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCN(C)CC1 919782236 FTCKHPCXPBHJAH-XMMPIXPASA-N 498.651 2.014 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CCN(c4cc(C)cc(C)c4)C3=O)nc12 920572303 CQOGCYXWVXLORL-KRWDZBQOSA-N 452.467 2.325 10 20 JECD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 920906580 HYCKLGXXPAXLIO-GJZGRUSLSA-N 477.493 2.102 10 20 JECD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)C1 1782009727 ZZGBRHIJCUAVQM-WBPRFABPSA-N 480.945 2.174 10 20 JECD COC(=O)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c(C)c1 1785278418 PXMOBTVWMSDTOU-OZJHFHSKSA-N 496.516 2.055 10 20 JECD O=C(CCc1ccc(C(F)(F)F)cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1785314445 LMPJRLSXRUEPBS-KKXDTOCCSA-N 494.470 2.133 10 20 JECD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc2c[nH]nc12 1785509917 JDHWKCJBMMUMDU-YQVIQHHGSA-N 478.505 2.145 10 20 JECD C[C@H](Cc1ccco1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510668 WTJUNHIKIAUJBJ-WPBXQCFXSA-N 456.495 2.118 10 20 JECD Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787539092 NBTDRNVMQYXQKO-PTLVVNQVSA-N 490.560 2.146 10 20 JECD CC[C@@H](NC(N)=O)C(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1788540601 BIKOGLWWDXEGSI-LJQANCHMSA-N 476.537 2.360 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)no1 1792218862 VGRJIKGNFXCJSF-ZHSOGYNESA-N 471.510 2.222 10 20 JECD CC(=O)N[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2)C(C)(C)C 1793385416 YRMNHYCHSKTCNX-LLTNVHPYSA-N 459.543 2.006 10 20 JECD COc1cc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)ccn1 1794169141 WMGRSPPCXLBISO-QGZGNFAASA-N 467.522 2.491 10 20 JECD CC(C)(C)c1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796479805 VSFAMKVNFRZZKR-FEJSZKPUSA-N 489.576 2.375 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1n[nH]c2c(Cl)cccc12 1799902492 QAENXKSTVZULBA-BTRCDTFPSA-N 498.923 2.250 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804285822 VLCWTBQQVDBDNM-XJQOBRGASA-N 452.511 2.350 10 20 JECD CCn1ccc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n1 1805900041 HPWWLIOSDAFOEW-NTKDMRAZSA-N 485.548 2.411 10 20 JECD COC(=O)c1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)s1 1807999248 JZSVULJZDRUBQX-IVZQSRNASA-N 496.545 2.298 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)C(=O)Nc1cccnc1 1810465004 HGBOLBGGSIWYTC-YWZLYKJASA-N 495.923 2.500 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1c(F)cncc1F 1811042066 ZADQDZUHPVLRDK-RBZFPXEDSA-N 455.421 2.194 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)C1CCC(O)CC1 1813198560 MJQROGSJQNOZTM-ZQGZALGQSA-N 481.549 2.469 10 20 JECD COC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162898 YGRPXKNORXUFSK-NFHDCNJTSA-N 455.511 2.200 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cc3ccoc3cn2)[C@@H]1c1cccnc1 1814190305 WIHNGAXCFJRYBZ-IIBYNOLFSA-N 495.586 2.403 10 20 JECD COC(=O)c1ccc(OCC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1 1816731946 YBWZHIDBEUQRSJ-CQSZACIVSA-N 498.517 2.041 10 20 JECD COC(=O)CCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1826233944 JGCVASKFRPGSSL-ZDUSSCGKSA-N 462.528 2.299 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1nc3ccccn3n1)CC2 1828199476 VCIJCXPBIIZPKY-OMDQHUAHSA-N 492.517 2.242 10 20 JECD COc1cscc1C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828244827 SDOZNDXSXCCBFG-VIFPVBQESA-N 482.634 2.299 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C[C@@H]3CCCCO3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134353 GZZMSNMYJTXQGT-QHCPKHFHSA-N 495.624 2.310 10 20 JECD CC(=O)c1cc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)n[nH]1 1837368221 WVMCLZZAEJBYPM-HWKANZROSA-N 498.536 2.055 10 20 JECD CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1839647929 IDXZCAKHMUJXCQ-BJOYHEJJSA-N 494.592 2.204 10 20 JECD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)c1ccccn1 1840504625 ZTFGGHCOMCVEIK-CMJOXMDJSA-N 475.929 2.020 10 20 JECD COC(=O)c1ccc(CC(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)s1 1845001300 YPNYCSBZUXGFOP-XBXARRHUSA-N 472.519 2.111 10 20 JECD CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1847039355 JQDJDXCOCHUDRO-DBWMJRBXSA-N 499.564 2.277 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H]2Cc3ccccc3O2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 27420004 VIPLWHKNFVUFGY-QFIPXVFZSA-N 454.504 2.471 10 20 JECD O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCC(C2OCCO2)CC1 726798491 ABCYFDPNBLJVCC-UHFFFAOYSA-N 477.495 2.326 10 20 JECD Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c3cn(C)c(C)n3)c2C)c1 727007390 SEAGIXNBRAIDHK-UHFFFAOYSA-N 472.567 2.457 10 20 JECD COc1ccc(N2CCN(CCNCc3c(C)nn([C@H]4CCS(=O)(=O)C4)c3Cl)CC2)cc1 742700498 PWVINEAPBIEQQE-IBGZPJMESA-N 482.050 2.125 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NC[C@H](c3cccs3)N3CCOCC3)CC2)cc1 742939845 JSXNRIAYZJLSLS-JOCHJYFZSA-N 473.643 2.251 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(Cc4cc(C)no4)CC3)CC2)cc1 916199418 XAUPKIPOMXCUAR-UHFFFAOYSA-N 456.591 2.031 10 20 JECD CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 918284885 TUQYNRYMJXIYAP-UHFFFAOYSA-N 456.518 2.303 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3N3CCN(C)CC3)cc2F)C[C@@H](C)O1 918286239 FXHYPGLADIQQST-RTBURBONSA-N 483.588 2.446 10 20 JECD CCC(=O)N1CCCC[C@H]1C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 919477667 IFMYBHIUUCKLAX-FVJLSDCUSA-N 463.550 2.390 10 20 JECD Cc1cc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)ccc1-n1cnnn1 919761614 MXMJXMVEMGFKJF-UHFFFAOYSA-N 473.516 2.156 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)c1 919809551 UYJVTDJTIACYAP-LICLKQGHSA-N 479.511 2.369 10 20 JECD CCn1nc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c2ccccc21 1777767459 DRCSBBCLJDKJEU-KBMIEXCESA-N 479.537 2.304 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127725 WGFUJKYIJYBAMJ-YOSAUDMPSA-N 470.595 2.189 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1779597565 QSPRNZVMIMQTMD-HSZRJFAPSA-N 483.912 2.294 10 20 JECD O=C(Cc1c(F)cccc1F)N1CC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1780798130 IYLMVDYYGREGHQ-RUZDIDTESA-N 482.487 2.130 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@@]1(F)Cl)C2 1783222873 PLPWSRWCRPYBSA-WYBVAHKZSA-N 468.909 2.255 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)C1CCC(C(F)(F)F)CC1)CCO2 1785540478 XXTQGRXVWHMHCU-SVGDTCPJSA-N 493.573 2.045 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790243750 IEMVKDQFOCAQGE-YEWWUXTCSA-N 497.976 2.258 10 20 JECD COc1ccc(OC)c(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c1 1804331375 BPGNAMSSTLMIEY-BJWYYQGGSA-N 491.635 2.135 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(O)nc(Cl)c1 1805037486 WLXUNWSVVQAYAQ-RBZFPXEDSA-N 469.885 2.275 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1cccc(O)n1 1805670767 HOBPWSLTLXWCQQ-UUOWRZLLSA-N 484.516 2.295 10 20 JECD Cc1cnn(CC(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)c1 1807664183 GQKZQAKALOZKQB-NLFFAJNJSA-N 485.548 2.085 10 20 JECD Cc1c(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)nc2ccccn12 1807996666 YYUCRPRDGZTNNJ-SBUREZEXSA-N 472.505 2.477 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807998070 HRSSEBWDIWFQNL-LZNRXBQRSA-N 453.543 2.080 10 20 JECD CCn1ccc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n1 1808467951 KIYQPKZIOUDYLX-YADARESESA-N 485.548 2.411 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ncn(-c2ccccc2)n1 1808556705 ZFHIQGWMHJNUHM-HTAPYJJXSA-N 485.504 2.102 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)CCc3cccnc3)C2)CC1 1810185729 XCTHXPKKCUSTIG-UHFFFAOYSA-N 460.625 2.106 10 20 JECD O=C(c1ccc(-n2cnnc2)cc1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810544017 VNFVDAROCRWXIV-UHFFFAOYSA-N 462.510 2.232 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CNC(=N)N)sc3C2)cc1 1814826026 HKSSCAYNRDTYJV-INIZCTEOSA-N 465.583 2.260 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1824518427 CQAULDAAJWPFEJ-WFASDCNBSA-N 453.524 2.449 10 20 JECD O=C(C1=COCCC1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900679 XMUSERMEVGXKBT-QGZVFWFLSA-N 451.614 2.161 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnnc2)CCO3)cc1 1834032107 VPJIWOUBJAISGJ-SANMLTNESA-N 475.549 2.268 10 20 JECD O=C(C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1ccco1 1837110833 SDYWGJAVGIKGLH-UHFFFAOYSA-N 492.532 2.254 10 20 JECD COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1839348860 QLSYWQFAOOLOAM-AREMUKBSSA-N 483.565 2.117 10 20 JECD O=C(c1cnc2ccoc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433855 DHVXTKIIQSABOO-HSZRJFAPSA-N 487.896 2.276 10 20 JECD CCCCC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1839902238 LYYXXIGNIGVWLA-FNZWTVRRSA-N 484.597 2.452 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840335064 GDOSJEZBERGSNF-UPCLLVRISA-N 489.956 2.095 10 20 JECD CS(=O)(=O)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1 1841173601 ZYVLCONILSPFOM-UHFFFAOYSA-N 464.927 2.286 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1841740918 LXPYINRPEMBMPH-IBGZPJMESA-N 496.564 2.446 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CCNS(=O)(=O)c3cc(C)ccc3C)CC2)cc1 24088489 HHMJSXOKTLEHAS-UHFFFAOYSA-N 488.654 2.309 10 20 JECD CC(=O)N1CCN(c2ccccc2CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 726101728 PKCAHORHLYDPGO-UHFFFAOYSA-N 469.561 2.330 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 918443109 TWSJVGFPLYOVJA-UHFFFAOYSA-N 494.592 2.151 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCNC(=O)C(C)(C)C)cc2F)C[C@H](C)O1 918874645 GZMBBBARWIJFRY-HOTGVXAUSA-N 451.539 2.151 10 20 JECD CCN1C(=O)C(=CNc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)C(=O)N(CC)C1=S 920979103 VJLVPWCGYVFZNO-UHFFFAOYSA-N 477.612 2.229 10 20 JECD O=C(c1ccc2n[nH]cc2c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003004 YTLFECJCCBKJGV-JOCHJYFZSA-N 456.886 2.385 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C34CC(c5ccccc5)(C3)C4)C[C@@H]21)c1cc(O)nc(O)c1 1787294552 PJYXHDWCZVLGPW-XKWRZDLNSA-N 463.534 2.208 10 20 JECD CC[S@](=O)CCC(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1789424439 GUUVHHRZSLHCDO-PMERELPUSA-N 467.638 2.140 10 20 JECD CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)CC1 1792241829 JJKAMHCSWXCSRN-VMXHOPILSA-N 481.684 2.289 10 20 JECD C[C@@H](C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1)n1cnnn1 1792300879 DJDBPAKMIMIXPX-DEYRLNKFSA-N 464.482 2.198 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1792843549 VOXIMHUFQNHPTH-DKKFBQAASA-N 483.569 2.331 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)C1CCC(C(F)(F)F)CC1 1793684750 DLPAUQZUBJYGQH-RCCCYXHRSA-N 457.449 2.065 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc(C(F)(F)F)cc1Cl)C2)c1cc(O)nc(O)c1 1796138715 OOCILJUOQZWRRH-CULMDFNYSA-N 486.834 2.077 10 20 JECD COc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)n1 1796932479 CTLIWAZMJUHUPY-NUZGMZIFSA-N 475.549 2.454 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCc2cnc[nH]2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808465307 SUUQAOLGQSKPGA-KBMIEXCESA-N 485.548 2.236 10 20 JECD Cn1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)cccc1=O 1816317979 RXDIPKBAMKOZHR-SOGBHIHOSA-N 479.493 2.245 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828250394 RJIQNLZFLNEQDX-TZMCWYRMSA-N 489.648 2.189 10 20 JECD Cc1cccnc1CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837131291 DYKHONNJCPRWQA-UHFFFAOYSA-N 468.554 2.441 10 20 JECD O=C(CC1CCC1)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838824140 FMWSEJOAJROCQU-UHFFFAOYSA-N 453.630 2.036 10 20 JECD O=C(Cc1cccc(Cl)n1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431789 NADRIDMYCZFZKT-JOCHJYFZSA-N 496.347 2.112 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccccc3o1)CCO2 1839502740 NHFHDGWXYGVWKF-QHCPKHFHSA-N 487.896 2.276 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)C2)C1 1840881222 JBXOBBRQRDQMRC-LYAKBKGDSA-N 486.565 2.099 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ncccc2-c2ccccc2)C1 1843545573 WCSBNULMKXQKEN-UHFFFAOYSA-N 466.588 2.426 10 20 JECD CN(C)c1ccc(CNC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)cc1 15134429 UENQFPKCPHKSLI-UHFFFAOYSA-N 482.400 2.466 10 20 JECD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)cc1 15569099 WFYPYDBWCAYRBG-UHFFFAOYSA-N 486.638 2.333 10 20 JECD O=S1(=O)CCN(c2ccc(CNS(=O)(=O)c3ccccc3Br)cc2)CC1 726977190 YDXUGCGRFLTRSX-UHFFFAOYSA-N 459.387 2.162 10 20 JECD O=C(COC(=O)c1cscn1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 728335550 ABJAATFKJMPGNW-GIDUJCDVSA-N 477.545 2.046 10 20 JECD CCOc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1S(=O)(=O)N1CCCC1 915732151 WJBPZAJBYVURPY-UHFFFAOYSA-N 474.583 2.191 10 20 JECD COc1cccc(C[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n2nnnc2C)c1 917708080 FRDAKFBGEIENPQ-QFIPXVFZSA-N 454.506 2.066 10 20 JECD COCCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)c1 918442631 MCEMAVYWQNHSPL-UHFFFAOYSA-N 455.555 2.484 10 20 JECD CCOc1cc2c(cc1NC(=O)C(=O)NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)O[C@@H](C)C2 918463947 PUNRBHPHLWOTOH-FUHWJXTLSA-N 480.565 2.365 10 20 JECD COc1ccc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1OC 919728953 AERJLRAJEZQTFJ-UHFFFAOYSA-N 487.557 2.438 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 919970517 IHUYFELGKZOCCN-KRWDZBQOSA-N 469.513 2.227 10 20 JECD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 920194987 LVDSFENPEFRPCM-UHFFFAOYSA-N 478.471 2.379 10 20 JECD COC(=O)COc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1 920926953 SVPHTCLTXFFGKV-KRWDZBQOSA-N 455.511 2.199 10 20 JECD COc1ccc(F)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777851958 VMPKUDRNCMBMPR-WZONZLPQSA-N 459.474 2.082 10 20 JECD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1)c1ccc(O)cc1 1781261568 YNBMPCRSGMOQQL-HFJWLAOPSA-N 476.533 2.119 10 20 JECD CC(=O)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1783188055 BHQJCLMSNROGOF-RUZDIDTESA-N 452.555 2.064 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc(Cl)nc1 1783375039 VOCWPZIKJMLFDM-SEGFNAPRSA-N 473.913 2.159 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)c3ccccc3Cl)C2)C1 1784255023 NBCSJYMNMXKRBM-UHKOZYILSA-N 488.924 2.034 10 20 JECD Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)nn1C 1786222699 GFVGEGFSTFFNID-UHFFFAOYSA-N 471.608 2.265 10 20 JECD Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787291324 ABRNODUXPGYIIS-WDSOQIARSA-N 478.505 2.363 10 20 JECD Cc1cnc(Cl)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1 1787539044 HZFWUHKEAIHIIH-LRQRDZAKSA-N 495.967 2.430 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4ccccc43)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787541505 RLKPQHUXSXPPDM-UUMRBEHKSA-N 486.572 2.489 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(c4cccc(Cl)c4)CC3)[C@H]2C1 1788086655 YBJQHNKHBOBNSD-JVPBZIDWSA-N 471.941 2.471 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)cc1 1796140667 VBNKMKMRPBKXRY-IRJINJETSA-N 476.533 2.417 10 20 JECD Cn1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)c(C(F)(F)F)n1 1796934829 UWCVFPGAFBDKFB-RBVVOMGSSA-N 488.470 2.484 10 20 JECD COc1ccc(Cl)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1799777386 IPVJLGAHTNVFCP-BTTYYORXSA-N 468.000 2.461 10 20 JECD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800513908 XVYMPUQUWCWTQC-GNLZIIPMSA-N 466.582 2.497 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1-n1nccn1)C1=NN(c2ccccc2)C(=O)C1 1800579058 FWEVOIXYEYAIOG-FNLKRUPLSA-N 483.532 2.312 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)CCC3)C2 1802079137 UIJUBTJKPSFRIH-XYSZYIHFSA-N 478.545 2.138 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)CCCO2 1803531657 GXQRIAKILWIDNM-BJWYYQGGSA-N 459.593 2.124 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cnn(-c2cccnc2)c1 1805075064 QQNDIBZTACYTBV-HXOBKFHXSA-N 485.504 2.102 10 20 JECD CC[S@](=O)CCC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808468415 QERBUYKQLKGVMZ-BWCSMRSYSA-N 495.605 2.039 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n[nH]1 1808469477 OVHNXJGLPJNEPY-JPYJTQIMSA-N 471.521 2.226 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@H](CNC(=O)C2(Br)CC2)[C@@H]1c1cccnc1 1808707758 OJSIOHXANGFKIN-DYVFJYSZSA-N 461.316 2.135 10 20 JECD Cc1nc2ccccn2c1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1809066259 POLWHJGCXBTNDO-HXOBKFHXSA-N 472.505 2.477 10 20 JECD CCCC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1810513732 HNUSGFXCVXULOT-XMVZLJSVSA-N 496.564 2.222 10 20 JECD CCc1cnc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1810558815 GZHBWUNLGDOUBA-KBXCAEBGSA-N 489.648 2.280 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1cc(O)no1 1810984095 TZUBXHFRBXRNHA-KZULUSFZSA-N 458.858 2.473 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)COc2cccnn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811811084 ZRQSLKFMWZFNFW-BTYIYWSLSA-N 483.912 2.335 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@H]2CNc3ccccc32)[C@H]1c1cccnc1 1814185762 FYYJRSMOLLACQL-ZJBJCVSYSA-N 495.630 2.157 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)Cc2ccc(F)cc2)[C@@H]1c1cccnc1 1814185778 GDPXUDNKOSLNAR-HTAPYJJXSA-N 486.594 2.330 10 20 JECD CSCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814186084 WXESYRIGZIXJTA-MAUKXSAKSA-N 480.681 2.337 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722742 WJYRFSGOSMTUKW-AAEUAGOBSA-N 454.512 2.071 10 20 JECD CCOCCC(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817366964 KXHLZEVWIQHVOX-AWEZNQCLSA-N 455.540 2.275 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccc2c[nH]nc12 1817887261 NNTHXBOBVZAGCC-OAHLLOKOSA-N 483.579 2.452 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1cccnn1 1819714851 NVGULFGNJOTHFV-IBGZPJMESA-N 458.482 2.299 10 20 JECD O=C(CS[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1819869615 UFQUOADBGZBTGT-KZULUSFZSA-N 464.569 2.435 10 20 JECD COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)c(F)c1 1823278983 JZHOGGVLOQYMDO-JTQLQIEISA-N 494.595 2.377 10 20 JECD Cc1cnn(CC(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)c1 1828199618 ZOFXOHYEFOFCEV-RRFAQUSLSA-N 469.523 2.090 10 20 JECD O=C1Nc2c(cccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1=O 1828714105 FZGAPLIGRAGUDD-SFHVURJKSA-N 478.505 2.175 10 20 JECD CC(C)O[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1829028264 QEYRPPOLQBEXJA-RDJZCZTQSA-N 455.646 2.280 10 20 JECD N=C(N)SCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877469 MTXIPNAXOGNTOE-UABRLCRWSA-N 476.599 2.453 10 20 JECD Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cn1 1832898745 XVIBJJVMDKVDAU-SFHVURJKSA-N 460.625 2.484 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)CC1)c1cc(O)nc(O)c1 1834988152 HBYWNLTZDFKABV-FCHUYYIVSA-N 464.566 2.482 10 20 JECD Cc1cc(C)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1838949374 ZMEKTJZDEMSGJY-CKUSHTOWSA-N 482.533 2.204 10 20 JECD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)c1ccccn1 1839433423 UVMHTAGTXDDVQB-CMJOXMDJSA-N 475.929 2.020 10 20 JECD Cc1ccccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1839943459 NBDSBXUGRIIGGF-HSDHKRTLSA-N 496.560 2.214 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)cc1 1840834545 SGWHXBAWLKEQAG-AREMUKBSSA-N 465.550 2.143 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)C(C)(F)F)C1 1842843220 SBFHJHHVTOIXDZ-HNNXBMFYSA-N 483.512 2.392 10 20 JECD COc1ccc(OC)c(CCCC(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)c1 1845214538 HRTSSPYIOVKBQN-UHFFFAOYSA-N 455.511 2.350 10 20 JECD Cc1nc2ccc(F)cn2c1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1845622139 XARQRWJNRWOCDC-XBXARRHUSA-N 466.469 2.429 10 20 JECD COC(=O)[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccccc2O1 726726322 KNKGNKDPXHLZOU-HXUWFJFHSA-N 489.475 2.340 10 20 JECD Cc1n[nH]cc1CCCNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 728072174 YGEUGVYYQQAOMM-UHFFFAOYSA-N 459.484 2.495 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 745485951 WUDIZRZCUWWLIX-UHFFFAOYSA-N 451.614 2.479 10 20 JECD Cc1cc(C(=O)COC(=O)C2CCN(C(=O)C(C)C)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 906970901 JBWXSMQBFZPSHF-UHFFFAOYSA-N 489.594 2.362 10 20 JECD COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(CCNC(C)=O)cc3)cs2)cc1C(N)=O 914790865 BNFVHTYACKJXHT-UHFFFAOYSA-N 474.564 2.397 10 20 JECD Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 916588204 MGTDOFGBGNAXST-UHFFFAOYSA-N 461.588 2.498 10 20 JECD COCCn1c(=O)nc(O)c2c1nc(-c1ccc(N3CCOCC3)cc1)n2Cc1ccccc1 916857168 VXIHABDMHIVBRI-UHFFFAOYSA-N 461.522 2.497 10 20 JECD O=C(Cn1cnc2c(Br)cccc2c1=O)NCc1ccc(N2CCOCC2)c(F)c1 917252288 YDWZQRFUUKUMBS-UHFFFAOYSA-N 475.318 2.451 10 20 JECD CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c2ccccc2O1 918250923 WYFIMKOCABUQKU-QHCPKHFHSA-N 460.534 2.293 10 20 JECD CCc1nc(CN2CCN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)cs1 919912104 ZBBNTUVASFCVIB-IBGZPJMESA-N 470.643 2.435 10 20 JECD CCN1C(=O)C(=CNc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C(=O)N(CC)C1=S 920978580 KTYFXHDPBCQPDU-UHFFFAOYSA-N 477.612 2.229 10 20 JECD CSc1ncccc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1779842395 NNZCUHURIIXAKJ-NKOINVLESA-N 471.535 2.077 10 20 JECD CC(=O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781119492 KWDSISPARPYUMG-VGOFRKELSA-N 452.935 2.494 10 20 JECD CN1CCCC[C@@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781119688 WJAGDDOYIFZJLT-LYHRCORUSA-N 465.978 2.363 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008552 DXUZCAXRNMOAOM-IQMFZBJNSA-N 459.930 2.469 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](C)n3cnnn3)C2)cc1 1782605679 XQUGGTIWZLKWIY-VAPDBKPJSA-N 491.596 2.469 10 20 JECD Cc1c(F)cccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785503808 RFMZUBOZNMATFE-HLZSCNFSSA-N 456.470 2.408 10 20 JECD COc1ccc2[nH]cc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)c2c1 1785505057 AGDRXTGIWJWDMV-QXSXQTJGSA-N 493.516 2.450 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3OCC4)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539676 OUYTYEXUWBVXSB-HARLFGEKSA-N 488.544 2.008 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1cc2ncsc2[nH]1 1788786455 VUPJNQJJUHFQIR-UVFQYZLESA-N 492.561 2.011 10 20 JECD C[C@@H](Nc1nccs1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790243338 IWZUXCWPEVDXBZ-NVNVUAJTSA-N 480.974 2.302 10 20 JECD O=C(Cc1ccc(Cl)c(F)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1792760574 MNTXFASFQUVNNA-OQQDEAHASA-N 490.915 2.441 10 20 JECD CC(C)(C)n1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c1Cl 1794756353 QDDRYBDVUSUJER-CLLJXQQHSA-N 484.047 2.404 10 20 JECD C[C@@H]1Oc2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)/C=C/c3ccc(O)c(O)c3O)C4)cc2NC1=O 1799291041 LKLKUPGIVKKOGH-NIWMJNDNSA-N 493.516 2.488 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1CNc3ccccc3O1)C2)c1cc(O)c(O)c(Cl)c1 1799769265 DXWLSAXFOFUNBO-JEZSTIGHSA-N 487.940 2.218 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccno1 1805637169 KWWCSPYDDLDCQN-PEOKUMBASA-N 450.451 2.219 10 20 JECD CC(C)(C)n1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n1 1807991181 NLGGJVWDQHNKNY-HRAATJIYSA-N 464.526 2.473 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2cncn2c1 1810011490 OBFFFNTXUYKYQD-KSFYIVLOSA-N 458.478 2.169 10 20 JECD Cc1nc(F)ccc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1811132635 TYHVZKQHNVJZQU-BTYIYWSLSA-N 451.458 2.364 10 20 JECD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)no1 1814165249 DHWAVIYYKKQCPK-OYOQQZMJSA-N 478.505 2.457 10 20 JECD Cn1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC3)n1 1815550131 UAWVBUPDTJJDQL-LLVKDONJSA-N 461.931 2.410 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848368 GKNHZJXWJPUXRL-CJNGLKHVSA-N 452.471 2.384 10 20 JECD Cc1nc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)no1 1818145750 IRFYHCHVEQBEHW-GOSISDBHSA-N 476.497 2.129 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1cccc(N2CCOCC2)c1 1823426767 SCMNADCIRPKSBX-MRXNPFEDSA-N 495.561 2.326 10 20 JECD COCCOCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1826619247 HKUXZHOEXXVQPS-JOCHJYFZSA-N 470.570 2.062 10 20 JECD CCOC(=O)/C=C/C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828198810 KHLPXBQQCRBEIN-NPABGRFFSA-N 473.507 2.005 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)CNc1ccc(F)cc1)CC2 1828242556 MREHPVVTWKNGOF-CYBMUJFWSA-N 493.611 2.167 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)CC1CCCC1)CC2 1828242597 OAWJLJFQLBOVAO-LBPRGKRZSA-N 452.627 2.496 10 20 JECD C[C@H](Cn1cncn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1829053388 VXSXJLUTJRZHHX-XXBNENTESA-N 491.596 2.327 10 20 JECD COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)nc1 1835257453 CORBBTFIPRRISV-XVNBXDOJSA-N 496.564 2.106 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 1836418482 WTALJBSCIXWOAK-KHCICDEESA-N 487.940 2.020 10 20 JECD Cc1noc(C)c1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432208 HDPYMGSZZXEZQU-HSZRJFAPSA-N 493.944 2.059 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cnn3c(-c4ccsc4)ccnc23)C1 1843217514 ZVFOTKUXSPZDRY-UHFFFAOYSA-N 476.518 2.395 10 20 JECD COc1ccc(N2CCC(NC(=O)[C@H]3CCCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)CC2)cc1 728211768 GCXZDRNLPBCIKS-SFHVURJKSA-N 475.615 2.221 10 20 JECD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCN(C(=O)CN2CCCC2)CC1 728551933 RVWNZOQAHRZURW-SDXDJHTJSA-N 492.692 2.496 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1 729064035 OEFLLNSBGMHTMU-OAHLLOKOSA-N 491.566 2.400 10 20 JECD COCCOCC(=O)NC1CCC(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 748712055 CTUJQHQGMULEFR-FWGXRIOKSA-N 479.593 2.394 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)cc2F)C[C@H](C)O1 918139822 FJNKYYDCEJAFMH-HOTGVXAUSA-N 466.513 2.327 10 20 JECD O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 918671732 VPSHMXDIHVVENB-LJQANCHMSA-N 471.535 2.099 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)N3CCC(C(=O)N4CCOCC4)CC3)cc2F)C[C@@H](C)O1 918780776 QQTSNBAILOCHGD-HDICACEKSA-N 462.566 2.220 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H](C)Sc2ncccn2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 919626537 QLHBEDRLYIMKPK-HNNXBMFYSA-N 474.564 2.438 10 20 JECD COc1cccc(C[C@H](C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n2nnnc2C)c1 920882074 MAWFQRASSIBERL-UZUQRXQVSA-N 450.543 2.488 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cncc(C(F)(F)F)c3)C2)C1 1779751540 VMHJNHCMVHXXOR-YSNSILARSA-N 493.438 2.374 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)cc1 1781751410 SNKNSQIZXILMFF-SANMLTNESA-N 489.532 2.340 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCCn1cccc1)C2 1783248244 WMSCBOGJKBMFBV-WZONZLPQSA-N 492.667 2.033 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c(C)n1 1784297259 PUDJPGUDTNRXJX-ZRFNAWPJSA-N 481.549 2.291 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(F)CCCCC3(F)F)[C@H]2C1 1788171354 SRWMVQPZBSZMAX-TUQFVAEASA-N 457.449 2.004 10 20 JECD NC(=O)c1nccnc1C(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1789947753 REVVTPQTMZGOJS-UHFFFAOYSA-N 497.515 2.116 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCNC(=O)C4)[C@H]3C2)cc1 1791348754 XPIVGAUEEIZZDE-KJBBBAAKSA-N 478.593 2.214 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1791621386 CRSGGZGXVSXUEB-DFHZNHDVSA-N 475.929 2.207 10 20 JECD COc1cccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1C 1792218296 VQZHEASRMLXMLM-NTQUVGCOSA-N 496.560 2.356 10 20 JECD CC(C)(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2)c1ncc(Br)cn1 1793295169 VSUOHZDSTBWSQD-QDMKHBRRSA-N 490.358 2.275 10 20 JECD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1800577321 GZTJHBVPYRZNFT-LQNGBDOHSA-N 456.539 2.233 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)CC1 1808002640 XDCSNQJBZRGNBQ-JXFKEZNVSA-N 497.552 2.265 10 20 JECD COCCCC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808463575 DBUOAWLPFDPPDO-DVECYGJZSA-N 463.538 2.307 10 20 JECD COCC1(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)CC1 1808465146 QWPYQIWMKAOEKY-XXBNENTESA-N 475.549 2.307 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)[C@@H]1CCCS1(=O)=O 1812497422 JVECNIGZJKBVSW-ZOCIIQOWSA-N 493.969 2.043 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccon2)[C@H]1c1cccnc1 1814162431 JXDYXSOZKZAZRF-PEOKUMBASA-N 450.451 2.219 10 20 JECD C[C@@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)O1 1814163867 OIBVQHCUSDMTFA-JSDAYLKBSA-N 467.522 2.485 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814190016 OHXAQBVSSXBKQW-CDMIOBSGSA-N 498.630 2.415 10 20 JECD O=C(CCc1cc(F)ccn1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816721039 DMWHCVWPKLASRX-AWEZNQCLSA-N 457.487 2.342 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3ccnn3c1)CC2)c1cc(O)nc(O)c1 1816728291 FFTCLZHGQGKOCP-CYBMUJFWSA-N 450.480 2.137 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822277507 ZQGGVEKZRFRYCX-DOMZBBRYSA-N 474.518 2.435 10 20 JECD Cn1cncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1826042012 IXAWOZJRVNHQKQ-JHTBKMLMSA-N 454.527 2.484 10 20 JECD N[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)c1cccnc1 1826984819 AQQMXRPJDNTZIS-WOJBJXKFSA-N 453.543 2.211 10 20 JECD NC(=O)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)cc1 1827429539 WIYIFQDCEYOTPX-IBGZPJMESA-N 452.511 2.139 10 20 JECD CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)c4cc(O)nc(O)c4)C3)C2)CC1 1828763202 AIBNIPHDKGOQQD-AREMUKBSSA-N 494.548 2.359 10 20 JECD O=C(CCN1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877553 QPEUEEJZTFCCCS-XYASWCNUSA-N 487.597 2.159 10 20 JECD O=C(CNC(=O)C(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878578 TUZPNTJUTKCUDH-BIENSFFJSA-N 499.486 2.115 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](O)CC2)CC1 1832899329 DSQMTJUDDOVSQE-BZSNNMDCSA-N 467.657 2.018 10 20 JECD O=C(c1ccn2nccc2c1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902459 MOQUPQYINQQCPF-LJQANCHMSA-N 485.635 2.428 10 20 JECD C[C@H]1C[C@@]1(C)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835133819 BIPZTBWGVYPVGQ-HFJWLAOPSA-N 465.598 2.397 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)n4cncn4)C3)C2)cc1 1839349290 NFJZVRJLFWTBBE-HFZDXXHNSA-N 492.580 2.017 10 20 JECD O=C(/C=C/C1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccc(O)c(O)c1O)CCO2 1840881612 ZKTAXGANFUBNJD-SZWJOXPDSA-N 472.538 2.019 10 20 JECD CC(C)(C)c1cnc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cn1 1843441834 WBAKSFQFTOSUMD-UHFFFAOYSA-N 460.538 2.384 10 20 JECD C[C@@H](OC(=O)Cn1nnc2ccccc2c1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 16258906 IQTDSCGTXURBKE-CQSZACIVSA-N 482.452 2.137 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)c2C)cc1 22002287 PSTIIGDHEWTEFM-LJQANCHMSA-N 485.562 2.294 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 748851971 BSXOBTFCYIMPPN-SFHVURJKSA-N 467.522 2.079 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 749498876 FRAKRAXMVDQBEK-HXUWFJFHSA-N 455.486 2.312 10 20 JECD CCCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)c1 857494479 OYFRPDNPGPLUKZ-UHFFFAOYSA-N 458.584 2.437 10 20 JECD CCOC(=O)N[C@@H]1CCCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 917057085 LDLVCAOBFFIOAR-ZHALLVOQSA-N 450.555 2.266 10 20 JECD CN(C)CCNS(=O)(=O)c1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c([N+](=O)[O-])c1 917085920 BKGOKIFVBGTXQN-UHFFFAOYSA-N 495.577 2.147 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 918304453 RDRSKHLQAZFAOQ-UHFFFAOYSA-N 474.583 2.189 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 918436745 APBLARUGBCEVLN-UHFFFAOYSA-N 478.524 2.252 10 20 JECD CCOc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919761828 NVAGAZLYJIBOSL-UHFFFAOYSA-N 492.555 2.387 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 919767205 IAMQKZKXWFRJIT-JOCHJYFZSA-N 488.566 2.291 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(F)cnc1Cl 1779641443 ABBLCRYVMWJRHR-QVKFZJNVSA-N 464.881 2.122 10 20 JECD O=C(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2)Nc1ccc(F)cc1 1780878092 CXCMJFXIKYJEGM-QHCPKHFHSA-N 491.903 2.363 10 20 JECD CC(C)(C)OC(=O)NCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007464 ILLGDWKSQIIQTO-HSZRJFAPSA-N 497.976 2.500 10 20 JECD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009730 ZZXZAHRXGQEBPU-JOCHJYFZSA-N 493.875 2.485 10 20 JECD CCC[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1)n1cccc1 1783245735 ADFRMOBPARYXIT-YZZKKUAISA-N 492.667 2.204 10 20 JECD Cc1cc(C)n(CCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)n1 1784320837 JCIWCEZHVKIXGI-JOCHJYFZSA-N 462.934 2.098 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)C2)C1 1785209389 QHQOUFUKTMHVCO-FQEVSTJZSA-N 469.391 2.408 10 20 JECD Cc1oc2cc(O)ccc2c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787292341 STXLDNNGRACQBF-IXDGSTSKSA-N 467.478 2.160 10 20 JECD COCCn1nccc1C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1788756138 IHPCHYROKQWRRY-UHFFFAOYSA-N 487.607 2.138 10 20 JECD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)ccc1F 1791945795 XJYWXFAQSUXESE-LTMIRXACSA-N 494.523 2.221 10 20 JECD COC(=O)c1ccccc1CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1793258143 RBKKZHOEBKQJOZ-BCDXTJNWSA-N 453.495 2.164 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc(Cl)nc1Cl 1798029011 FHYSWZXMRITWSL-WFRBFAAJSA-N 494.331 2.422 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1OCCc3ccccc31)C2 1802078350 AHTIVGQUBNHOFK-XDKAOURNSA-N 494.544 2.110 10 20 JECD Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(-n2nccn2)c1 1807995960 WFSVUNXUHHUWQR-KOSHJBKYSA-N 499.531 2.410 10 20 JECD Nc1nc(C(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)cs1 1809861089 UPPHQWUUXPYRMK-UHFFFAOYSA-N 466.567 2.363 10 20 JECD O=C(/C=C1\C(=O)Nc2ccccc21)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810186341 BKMZKEOEGASUMS-UAUNJRAHSA-N 485.500 2.243 10 20 JECD Cc1ncsc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814186131 LUXARIMPNWIPGV-WMLDXEAASA-N 475.621 2.026 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2nccc3occc23)[C@@H]1c1cccnc1 1814189574 SMKTZUAEBWSRRN-QVKFZJNVSA-N 495.586 2.403 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)ccc1O 1814190160 RRHOTMPIQVSWJA-LAUBAEHRSA-N 484.603 2.276 10 20 JECD COc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)ccc1O 1822243986 LHCWWMOWMYHYOM-LBPRGKRZSA-N 456.480 2.203 10 20 JECD Cc1nccn1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476014 PPAXXGUXQWCOEL-JKNJVXJCSA-N 466.498 2.437 10 20 JECD Cc1ccn(C)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823500000 JKJNDUUIXRALCA-AWEZNQCLSA-N 460.585 2.223 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)c1 1823859552 XHXBASYWYAUNGC-CQSZACIVSA-N 491.533 2.378 10 20 JECD C/C=C/C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1829269663 MNANUQFNLBNFKZ-KLWTWKFNSA-N 480.521 2.135 10 20 JECD Cn1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)cccc1=O 1832876156 CWBBDHHYFTVOBE-SINXNMPMSA-N 481.549 2.449 10 20 JECD CC(=O)N[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)C(C)(C)C 1832896486 JRIANZJKRIFQND-FXAWDEMLSA-N 496.699 2.017 10 20 JECD COc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834988418 PWJWNXISVGONKP-UHFFFAOYSA-N 472.517 2.140 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccc(F)c4s3)C2)C1 1836418289 LXTHQMVVBKVOLO-HSZRJFAPSA-N 487.509 2.230 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc4nccn4c3)CC2)CC1 1838031537 MPGVUMQVFYLTGU-UHFFFAOYSA-N 465.510 2.067 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)C(C)(C)F)C1 1842849206 NTVNXPYAJFLTAK-MRXNPFEDSA-N 479.549 2.485 10 20 JECD Cc1n[nH]cc1C(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1844774643 AZIHSJUCTFLYSA-SFHVURJKSA-N 499.568 2.082 10 20 JECD Cn1c(=O)n(C)c2cc(C(=O)N3CC4(CCCN4C(=O)c4cc(O)c(O)c(Cl)c4)C3)ccc21 1845501398 LFLPSXJTQHICLN-UHFFFAOYSA-N 470.913 2.072 10 20 JECD O=S1(=O)CCN(c2ccc(CNS(=O)(=O)c3ccc(Cl)nc3Cl)cc2)CC1 726974198 DORDYFJXLSOMHF-UHFFFAOYSA-N 450.369 2.102 10 20 JECD CCOc1cc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)cc(Br)c1O 727178333 VQQABERGVRIKJO-WQLSENKSSA-N 481.415 2.304 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCN3C(=O)OCC(F)(F)F)CC2)cc1 727801587 IODIPYCLQZATQI-SFHVURJKSA-N 458.481 2.097 10 20 JECD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCCN(c4ccc(OC)cc4)CC3)cc2)CC1 744906078 AJIWYMINLQYEID-UHFFFAOYSA-N 493.608 2.150 10 20 JECD O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 915695970 FKNQQWFFGSANJA-UHFFFAOYSA-N 458.584 2.307 10 20 JECD CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 917834816 QRDIFXDSYGHPTO-SFHVURJKSA-N 490.601 2.486 10 20 JECD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)C3=NC=CN4CCS(=O)(=O)N=C34)c2C)c1 918843070 ZNDJJZZHJIOYFT-UHFFFAOYSA-N 454.508 2.098 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccccc3S(=O)(=O)C(F)(F)F)nc12 919109786 GIJIZTCURKQLIY-UHFFFAOYSA-N 473.385 2.262 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)Nc1cccc(F)c1 919799425 BYRSTIJNZNOZNR-UHFFFAOYSA-N 452.465 2.336 10 20 JECD COc1ccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c(OC)c1 1777850974 OSPYSRKMEZOAGM-QFQXNSOFSA-N 499.564 2.270 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)C1 1780669263 QUYHXNBWUZYFCP-IBGZPJMESA-N 487.525 2.009 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003398 IOZWLSQUWCPDGM-CPJSRVTESA-N 485.968 2.251 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cc3ccccn3n1)CCO2 1782005663 TZHALVMOSAAALE-QFIPXVFZSA-N 456.886 2.156 10 20 JECD COc1cccc(/C=C/C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1783417295 WGSSDORHQXIHRJ-CPPXCMDSSA-N 480.517 2.369 10 20 JECD Cc1nccn1[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790245480 DWXLLFAQHWVRQD-AGLNLLDASA-N 462.934 2.111 10 20 JECD CC(=O)N/C(C)=C/C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1791027841 CESSPQNHHFDACT-JLHYYAGUSA-N 460.581 2.021 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)CC(F)(F)C(=O)O)CCC2)cc1 1792313843 MGMJBJDFUNEISP-UHFFFAOYSA-N 471.507 2.091 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cccc2cnccc12 1797472473 VHOYSTYHNFILCU-HBNMSFMJSA-N 483.528 2.231 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc2cnccc2[nH]1 1797519571 GTOSPNGJNMFCQR-HBCWATKFSA-N 456.886 2.145 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804291549 MEVYHWCRKALFEF-IMWIHDJQSA-N 453.495 2.317 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2ccc3c(c2)OCO3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991595 QKPUZDBFGNBBCL-MZNJEOGPSA-N 476.489 2.179 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC2(CCCN(C(=O)c3cc(=O)cco3)C2)CC1 1808874248 XLIATHCQBGMJLP-UHFFFAOYSA-N 462.506 2.278 10 20 JECD COc1ccc(OCC(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)cc1 1810549411 PJNIAEZTWLLZFF-UHFFFAOYSA-N 455.511 2.425 10 20 JECD COC(=O)c1ccc(CC(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)cc1 1810550440 KAYYZCCYAIYCBB-UHFFFAOYSA-N 467.522 2.367 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)[C@@H]1CCCOC1 1814155931 WJJDLWMAFDJIBS-DCLXLUIPSA-N 475.549 2.307 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@@H]2CCc3ccoc3C2)[C@H]1c1cccnc1 1814185864 VQZLXQHQOYVRRR-NRJQMVOHSA-N 498.630 2.346 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cn2)[C@H]1c1cccnc1 1814189740 XHMBIRJISZBTHF-LIRRHRJNSA-N 490.010 2.310 10 20 JECD COc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1F 1816720966 CWQALBLSJGEMJS-NSHDSACASA-N 459.459 2.032 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1[nH]cnc1-c1cccnc1)CC2)c1cc(O)nc(O)c1 1816727293 MBLSWXBBBVITMQ-CYBMUJFWSA-N 477.506 2.274 10 20 JECD Cc1cnc2c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)cnn2c1 1819072751 QUUPMAGRHPECFS-MRXNPFEDSA-N 462.470 2.187 10 20 JECD CC(C)c1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)n[nH]1 1820283468 PRZHIUGPUNAYAO-HNNXBMFYSA-N 475.600 2.422 10 20 JECD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)n1cncn1 1822772130 VLBUGXZKHLNRLI-HDZMBNNRSA-N 467.486 2.085 10 20 JECD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1)N1CCN(C)CC1 1823712265 BJUUHLQQAISILE-GXTWGEPZSA-N 494.017 2.069 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)CC1 1824772970 NVSJOWFBIKXOEK-GOSISDBHSA-N 489.956 2.300 10 20 JECD O=C(COc1cccnn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1826762770 RMPOLHUBKNSYCC-NSHDSACASA-N 475.914 2.303 10 20 JECD CN[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1)C(=O)O 1826944453 CLGRISVSAVGVIP-SJORKVTESA-N 467.950 2.047 10 20 JECD O=C(Cn1nnc2ccccc21)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827424092 OFDVMAOSXGQDPV-IBGZPJMESA-N 464.526 2.171 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc4sccn4c3)CC2)CC1)c1cc(O)nc(O)c1 1834986986 PCKRDTINCKMKDA-UHFFFAOYSA-N 469.567 2.306 10 20 JECD Cn1cc(F)cc1C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1835251145 UEVQXVFDPDJCRY-HWKANZROSA-N 486.544 2.180 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3ccccc3F)CC2)CC1 1838568045 IBDDPONJYCBKRG-UHFFFAOYSA-N 479.599 2.298 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)c2cnoc2)C1 1843473801 QEKSOGFPEWYJND-QGZVFWFLSA-N 486.525 2.039 10 20 JECD Cn1cccc1C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251769 VTPLIMSNXFPVGQ-SFHVURJKSA-N 498.580 2.389 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(F)cc1C(F)(F)F 1848001456 AZBVGDKDMBSWLK-GJZGRUSLSA-N 489.516 2.449 10 20 JECD CN(CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1=NS(=O)(=O)c2ccccc21 107981377 ZRMZDRXBMILFGQ-UHFFFAOYSA-N 496.511 2.239 10 20 JECD CN(CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)S(=O)(=O)c1cccnc1 726567380 JNWVDXHIXKPVDT-UHFFFAOYSA-N 454.499 2.089 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(-c2csc(NS(=O)(=O)c3cc(C(N)=O)n(C)c3)n2)cc1 727252444 DJMTVJMIJFTRLB-UHFFFAOYSA-N 497.624 2.079 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@@H](c3ccccc3)N3CCN(C)CC3)CC2)cc1 727753046 HOXKTJKGUAOYDS-AREMUKBSSA-N 465.642 2.312 10 20 JECD C[C@H]1Oc2ccccc2N(CCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1=O 917832916 JOKRSTSCGAXSJL-MJGOQNOKSA-N 450.539 2.209 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(CN4C(=O)CNC4=O)cc3)cc2F)C[C@H](C)O1 918141677 YOVLBHXTKARVGB-HOTGVXAUSA-N 454.502 2.421 10 20 JECD Cc1cc2nc(C)c(CCC(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c(C)n2n1 919007416 KEBYGXBJNWFJCU-UHFFFAOYSA-N 483.544 2.422 10 20 JECD COCCN1C(=O)/C(=C\Nc2sc3c(c2C(=O)OC(C)C)CCCC3)C(=O)NC1=S 920978522 HLGOMXKBWXHZEE-RAXLEYEMSA-N 451.570 2.378 10 20 JECD CCOc1cccc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1 1780850470 CHIQEBWEBLRVPD-AREMUKBSSA-N 476.533 2.322 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)cc1 1781755887 VGIKABLBNJNKCH-LVXARBLLSA-N 464.566 2.064 10 20 JECD O=C(CS[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007710 WGSMDBZDYJHDDO-RXVVDRJESA-N 470.975 2.455 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccnc(Cl)c1)CCO2 1785508314 BGUOKKHJTLONPB-YSNSILARSA-N 459.886 2.009 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCCS4(=O)=O)[C@H]3C2)cc1 1790750040 FJNIDTNWAXTHCG-TWDDROGUSA-N 499.633 2.265 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3noc4ccccc34)C[C@@H]21 1792218849 CYLQPYLXXNYZMU-WXABNLIOSA-N 493.516 2.180 10 20 JECD COc1ccc([C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc1 1796479095 DQNDGCLSCHBSEH-NRGSMNHXSA-N 490.560 2.181 10 20 JECD CC[S@@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799621026 ZCBYDDNLIFQPBN-WDYRALKASA-N 471.623 2.456 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3[nH]ccc13)C2)c1cc(O)c(O)c(Cl)c1 1799768057 HPEZTJVXTOBHHV-IVWMJMPLSA-N 456.886 2.145 10 20 JECD N[C@@H](Cc1cscn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800714993 RTNKNQLLZXDPIO-AEIGPULVSA-N 450.948 2.030 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc31)C2 1802082713 ZYMRBGCTNZPFSN-HJYPNGPWSA-N 464.518 2.136 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)C1(O)CCC1 1802465642 RWOOWICWQAMHFF-DRMXPCRNSA-N 489.576 2.431 10 20 JECD CCc1cc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n(C)n1 1808469234 KMHNGUPZSRUTFD-UQBPGWFLSA-N 499.575 2.490 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1nnsc1C1CC1 1808733542 LQCBWSFXJJEITA-AUUYWEPGSA-N 466.523 2.250 10 20 JECD Cc1c(F)ccc(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)c1N 1809924277 OKYPOTGPCVANDY-UHFFFAOYSA-N 478.615 2.421 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1c[nH]c2cnccc12 1810062779 IGGSMYWHVXDGPM-OYHNWAKOSA-N 458.478 2.398 10 20 JECD Cc1nc(F)ccc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814189441 HSSKMZNYZHKHFH-QRWLVFNGSA-N 487.582 2.104 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cc(C(F)F)no3)sc2C1 1815836438 QFJVPLJMFSUEAR-ZETCQYMHSA-N 487.535 2.155 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cccn(C(F)F)c1=O 1819637784 BVRSCBWWMXTSGC-CQSZACIVSA-N 474.424 2.392 10 20 JECD Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)n[nH]1 1819986786 PWBICZDESKUYJM-CQSZACIVSA-N 477.550 2.122 10 20 JECD CN(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)nc1 1823496162 HPDIABWXJMBZIS-INIZCTEOSA-N 487.611 2.037 10 20 JECD Cc1nscc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823497430 YPVDNVCQTAGXHW-ZDUSSCGKSA-N 464.598 2.341 10 20 JECD C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1824528250 WJRNBWQMQDBFRN-ZGBSRSTJSA-N 494.610 2.117 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1826885681 DMLDJCWUGIEVIM-YPMHNXCESA-N 455.496 2.038 10 20 JECD COc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)s1 1828240518 WHAFODVGASAPDF-SECBINFHSA-N 482.634 2.299 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)CC1 1829514701 HTAWUKMGQIYZMV-QHCPKHFHSA-N 475.549 2.346 10 20 JECD O=C(CN1CCCC1=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877273 BZOOGUITUJLMBF-XSBJJCPUSA-N 471.554 2.059 10 20 JECD Cc1ccc(F)cc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833151004 NUQDGFWLRSLFEC-UHFFFAOYSA-N 456.518 2.439 10 20 JECD Cc1ccc(-c2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(O)nc(O)c5)C4)C3)c[nH]2)cc1 1833355667 HXIUQAFMEGTPSN-SANMLTNESA-N 492.532 2.180 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CCc3ccsc3)CC2)CC1)c1cc(O)nc(O)c1 1834987286 YOINNTIIFFXDBS-UHFFFAOYSA-N 458.584 2.372 10 20 JECD COc1ccccc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1836234832 RNZVGOWOPDGJAQ-UHFFFAOYSA-N 454.527 2.000 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)cc1 1839348385 QZMFNVVWPWQTEG-SANMLTNESA-N 477.565 2.130 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1839433240 AVCJTMSIGUCUBN-QHCPKHFHSA-N 486.912 2.011 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cnc(-c3ccccn3)nc2)C1 1842152491 KBQCHZBDSDNPKI-SOFGYWHQSA-N 473.489 2.186 10 20 JECD CC(C)(C)OC(=O)N1CCCC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)C1 1843251577 KWHQKPMDZLLOGE-INIZCTEOSA-N 474.558 2.347 10 20 JECD Cc1cc(Br)ccc1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1845321532 VXJNFJSXUNEMGP-UHFFFAOYSA-N 482.425 2.435 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H]3CCCS3(=O)=O)C2)cc1 1845914349 JCPSTWXUPJMDQJ-OAQYLSRUSA-N 455.580 2.488 10 20 JECD O=C([C@@H]1CCc2ccccc2[C@H]1O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034217 FHUZMRFDJUTODN-XYRGPISMSA-N 464.518 2.316 10 20 JECD Cc1cc(C(=O)COC(=O)c2cn(Cc3ccccc3)nn2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 106094514 LTQXGHGAJAKRGI-UHFFFAOYSA-N 493.545 2.421 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc4c(cc3SC)OCCO4)CC2)cc1 726296180 WDWSCCWFXZGFSH-UHFFFAOYSA-N 486.594 2.065 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccccc3S(=O)(=O)C(F)F)CC2)cc1 726726111 NWZGCERSLCMNSP-UHFFFAOYSA-N 467.494 2.415 10 20 JECD O=S1(=O)CCN(c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)cc2)CC1 726977085 XCTNXZZWTRMPSV-UHFFFAOYSA-N 459.387 2.162 10 20 JECD CCOc1cc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)cc(Br)c1O 727178336 VQQABERGVRIKJO-XYOKQWHBSA-N 481.415 2.304 10 20 JECD CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 729259480 OKPSCZJOSYFWAC-UHFFFAOYSA-N 460.556 2.125 10 20 JECD CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 729596968 OBLAEEJKNBWSDM-UHFFFAOYSA-N 479.597 2.356 10 20 JECD Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1C(=O)NC(C)C 731286352 TUJRHNLXDMRGMA-UHFFFAOYSA-N 470.545 2.488 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 749220117 IXIOBKOZQKMQJK-UHFFFAOYSA-N 451.571 2.013 10 20 JECD Cc1cc(NC(=O)CN2CCN(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)CC2)no1 918220246 IYXQLWMEDYVZJE-ROUUACIJSA-N 488.564 2.202 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(NC(=O)[C@H](C)n4cncn4)cc3)CC2)cc1 918461468 DMRHDUIGUQUQQD-SFHVURJKSA-N 491.552 2.164 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)nc12 918815629 ZHLISIRMFBARIP-UHFFFAOYSA-N 490.428 2.358 10 20 JECD COCCn1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1=O 919577716 UXNJWNSAHNBPEF-OAHLLOKOSA-N 474.469 2.454 10 20 JECD Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 920922750 IIABOBWEVPHCOA-LJQANCHMSA-N 452.555 2.484 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CNC(=O)C2)C3)cc1 1780986396 KNXFVLLTXAMDFJ-VBANMALSSA-N 478.593 2.358 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(c3ccccc3)CC1)C2 1783244341 RSTAHHVRNDBXSX-WZONZLPQSA-N 487.647 2.092 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)cc1 1787540123 GYSAPYMDGPJPOT-HARLFGEKSA-N 476.533 2.081 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccc(F)c(F)c1 1789651679 QVAFWMRKFWJDHE-ZJBJCVSYSA-N 482.487 2.351 10 20 JECD CC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 1790126023 JNZIXABAJOWVPS-XWGVYQGASA-N 466.582 2.214 10 20 JECD CN(C)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1 1792217647 FVCWKSPWXRHUHR-ZCTWNQIISA-N 481.549 2.176 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC3CCCCC3)C[C@@H]21 1792217777 LZTYFKAACFFLBP-QOCPPALMSA-N 474.554 2.146 10 20 JECD O=C(CCc1ccc(F)c(F)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1792745182 SVKMZFDTDKKMAO-XECGTUKPSA-N 488.487 2.317 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CC(C(F)(F)F)(C1)C2 1793480635 XANILXDEDNLAED-NJTPZCQSSA-N 482.455 2.139 10 20 JECD Cc1ncc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)s1 1799770484 XRMOHGYKLXDPKI-XCRGKXPMSA-N 463.943 2.433 10 20 JECD COc1ccc(OCC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1807990788 ACBFJCFYBGTZAA-XDHUDOTRSA-N 478.505 2.295 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnnc3ccccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995140 CLTXSVIXZVRGFN-QMHKHESXSA-N 470.489 2.464 10 20 JECD O=C1Cc2cccc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c2N1 1807998230 AZGTVZGYNJAKPM-QMHKHESXSA-N 473.489 2.016 10 20 JECD Cc1nn(C)cc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808463567 DBFNIPIJYHHUTJ-DVECYGJZSA-N 485.548 2.236 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(-c2cccnc2)[nH]n1 1810899745 XBWVPQAWTBXWJJ-SBUREZEXSA-N 485.504 2.306 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810962950 WWTUJHNPPKDZMF-DJJJIMSYSA-N 490.442 2.274 10 20 JECD CN1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162456 SESYXRJELHCPOU-UVJKBGPYSA-N 466.538 2.012 10 20 JECD O=Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1814185422 BQFYBPCCVWHWFP-LIRRHRJNSA-N 488.616 2.136 10 20 JECD Cc1ccc(O)c(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1814189912 KPQYUAIDVFTUDA-IERDGZPVSA-N 484.603 2.276 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(-c3ccncc3)[nH]n1)CC2)c1cc(O)nc(O)c1 1816726241 RZGYXDZMXWOQNT-CYBMUJFWSA-N 477.506 2.274 10 20 JECD O=C(COC(=O)C(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1819316141 QCVKIPYEMCZCKF-VUDGCMKMSA-N 498.414 2.338 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1cc[n+]([O-])cc1 1820029653 PNUHJBHONGMQQD-HXUWFJFHSA-N 473.493 2.142 10 20 JECD CC[S@@](=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823475490 SKKGDTMWIJWKLC-RRMLHLIWSA-N 476.555 2.391 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2)c1ccccn1 1827075678 KLCOBIIFENDXTN-RYUDHWBXSA-N 475.621 2.114 10 20 JECD CC(C)(C)n1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)nn1 1827428374 WOCMFDGLZMUSCB-SFHVURJKSA-N 456.547 2.386 10 20 JECD CCc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc(C)n1 1828244331 BIVRAFWPWIGIHJ-CQSZACIVSA-N 489.648 2.495 10 20 JECD O=C(CCc1ccc[nH]1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898191 FDRNJIXNMOOFAW-GOSISDBHSA-N 462.641 2.427 10 20 JECD CCn1nc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c2ccccc21 1834986904 IKMCVFZHOXMMKV-UHFFFAOYSA-N 492.580 2.361 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncncc3c1)CCO2 1837027799 SRIYCIDOMTVVRN-DEOSSOPVSA-N 498.923 2.078 10 20 JECD CCc1ncsc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433662 OLPWPIIPFIRMMG-NRFANRHFSA-N 481.958 2.154 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)C(F)F)C1 1842666368 HJMMZZHTTZVDEB-AWEZNQCLSA-N 469.485 2.002 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)C2(F)CC2)C1 1845893533 FBIDORPMGPNJQS-MRXNPFEDSA-N 477.533 2.239 10 20 JECD CN(CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)Cc1ccc(N2CCCCC2)cc1 585676194 CVZDGDLHWIELTR-GOTSBHOMSA-N 463.644 2.303 10 20 JECD CS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 728819553 YFTQNPJADURAET-OAHLLOKOSA-N 494.411 2.484 10 20 JECD NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccc1F 915462681 JRAYIJGUPSDGLM-UHFFFAOYSA-N 482.445 2.044 10 20 JECD CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 916456163 QIYOMIUDGFQDFU-MRXNPFEDSA-N 487.538 2.338 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)cc1OC 917758303 OFNSFFUAORMFAG-UHFFFAOYSA-N 453.542 2.150 10 20 JECD CC(C)CS(=O)(=O)CCC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919761494 FSPQNSIUKNMVFV-UHFFFAOYSA-N 463.579 2.019 10 20 JECD COc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1OC 920637336 FPQMPVPHHYZGHK-KRWDZBQOSA-N 478.523 2.301 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)C2)C1 1781618518 KKMLEXLRDFNVPR-HXUWFJFHSA-N 469.391 2.408 10 20 JECD CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753467 BBMGNUAKYBDPRN-VWLOTQADSA-N 483.638 2.022 10 20 JECD O=C(/C=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1785368944 WIWCDWAUWRDFRA-YWONUCHTSA-N 454.479 2.103 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)cnc1C 1785511438 LSGKOUQSJFWKHE-HARLFGEKSA-N 475.549 2.085 10 20 JECD COc1ccc2c(c1)CC[C@@H](CC(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]31)C2 1788179254 YCVZGOZXGXWGAR-BWPZPKMVSA-N 495.576 2.290 10 20 JECD COc1ccc([C@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc1 1796479096 DQNDGCLSCHBSEH-RXPSNABZSA-N 490.560 2.181 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)CC1 1802226825 UDEVHPACUBHHAG-XOIINTDNSA-N 495.960 2.012 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)C1(O)CCC1 1802465652 RWOOWICWQAMHFF-LJFZDNNRSA-N 489.576 2.431 10 20 JECD COc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1804915675 RSKXTUKFTOJZQD-LIRRHRJNSA-N 490.632 2.332 10 20 JECD N[C@@H](Cc1cccnc1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1808365530 PLBQESIGIXFPEX-AGHHOFFYSA-N 495.967 2.431 10 20 JECD O=C(NC[C@H]1CCN(C(=O)COc2cccnc2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808465160 QYTBPDWRECAFLF-FQRUVTKNSA-N 498.543 2.354 10 20 JECD CCOC(=O)N1CCC(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)CC1 1810549870 HIOURPNHPOOSMH-UHFFFAOYSA-N 474.558 2.206 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cc2ncccc2[nH]1 1812080466 XCQPFKJKNNLADO-BTYIYWSLSA-N 494.602 2.138 10 20 JECD CCn1ccc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1814162794 QACWGXBSDLZKKJ-AEVOMHCASA-N 477.521 2.448 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)CCC(F)(F)F)[C@H]1c1cccnc1 1814185841 GRHYGGZKUQLKBZ-DYVFJYSZSA-N 474.530 2.290 10 20 JECD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1)n1cncn1 1818147971 SJDQEZWFZNUOCO-DNVCBOLYSA-N 475.513 2.047 10 20 JECD COC(=O)C1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC3)CC1 1825281840 LGGMCOZAIIHLJU-JTQLQIEISA-N 465.915 2.387 10 20 JECD Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cc(O)n1 1827626537 RFQNUKLZWKOMSN-QGZVFWFLSA-N 476.624 2.189 10 20 JECD Cc1cnoc1C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828198160 SQBCXYBHWRGMLI-QBODLPLBSA-N 456.480 2.496 10 20 JECD COc1ccsc1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828247231 QOKGOHUKHRTVFJ-SECBINFHSA-N 482.634 2.299 10 20 JECD Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cn1C 1832902770 UUYBQAOQOQILSQ-GOSISDBHSA-N 462.641 2.427 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)[C@@H]1CC1(F)F 1835452899 NCISXIALSPNSLY-WVMJFEGXSA-N 465.497 2.043 10 20 JECD CN(C)c1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1836294493 VSAPGXAFMQURHT-UHFFFAOYSA-N 467.570 2.058 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccccc34)C2)C1 1836418520 YURLVDTVCHDURG-VWLOTQADSA-N 463.490 2.030 10 20 JECD CC(C)N[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)C(C)C 1837911713 ZVMONYLFBPKZBA-QFIPXVFZSA-N 462.591 2.128 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cnnc4ccccc34)CC2)CC1 1838031432 DFOLUVGKOJJQFD-UHFFFAOYSA-N 477.521 2.362 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccn4)C3)C2)cc1 1839348312 MNNKJQPAXRAZCA-SANMLTNESA-N 477.565 2.061 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3cc4[nH]ccc4s3)C2)C1 1840880706 GFYQCZXPXPSUMG-JWZSXRADSA-N 499.545 2.130 10 20 JECD Nc1nc2cc(C(=O)N3CCCC34CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)ccc2s1 1842961995 ROZSELROWSZJQC-UHFFFAOYSA-N 474.546 2.488 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)[C@@H](O)C(C)(C)C)C2 1843330939 UYTFHKZNAGFHMH-WOJBJXKFSA-N 488.629 2.315 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)Cc2ccc(Br)nc2)C1 1844989633 RVVQEOUXMQZTRY-UHFFFAOYSA-N 496.365 2.383 10 20 JECD O=C(c1cccc(-n2cncn2)c1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501986 AKWLSMVAAAHFCM-UHFFFAOYSA-N 453.886 2.463 10 20 JECD CC(C)(C)OC(=O)NCC1(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)CC1 1847035409 YVGTVMJZWGHFHG-SOFGYWHQSA-N 487.553 2.325 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 18971497 IDEYUYPOUQDYHC-UHFFFAOYSA-N 473.595 2.355 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 105279308 APOKYNOJKNJQTK-UHFFFAOYSA-N 472.611 2.268 10 20 JECD CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 730011183 SRFQFVQLCNIBKZ-AREMUKBSSA-N 478.549 2.253 10 20 JECD Cc1cc(NC(=O)CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)ccc1Br 748842561 RDJUPSPVOWLMQX-UHFFFAOYSA-N 456.318 2.203 10 20 JECD O=C(OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1N=Nc1ccc(O)cc1 821076607 IXISHWGVSLIFDQ-SFHVURJKSA-N 486.550 2.296 10 20 JECD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 915019263 BIGKDFVVIVKJEQ-CYBMUJFWSA-N 498.538 2.372 10 20 JECD O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 916677117 RLBSOKOIPRWPER-UHFFFAOYSA-N 484.603 2.489 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 917650641 FWMITMFNLFZJFF-UHFFFAOYSA-N 452.508 2.233 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(-c4nncn4C)c3)cc2F)C[C@H](C)O1 918285962 CKOGGEDWPAFLFZ-HOTGVXAUSA-N 466.517 2.490 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(-n2cccn2)nc1 919761493 FPLLLHJCOFOWNV-UHFFFAOYSA-N 458.501 2.453 10 20 JECD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCSCC2)cc1 920437401 RJUYYAFMVARMFM-UHFFFAOYSA-N 464.569 2.133 10 20 JECD CCOc1ncc(Cl)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777850592 AVPZAZMGUJSGTD-UZUQRXQVSA-N 490.944 2.381 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)C2)C1=NN(c2ccccc2)C(=O)C1 1778127637 ULKUOXOSIJOMEW-LEKCYLROSA-N 480.590 2.168 10 20 JECD O=C(c1cccc(-n2cncn2)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008315 YSNHTCORZZGGEU-HSZRJFAPSA-N 483.912 2.089 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1784491023 GMLBIONNRPWMOY-RCDICMHDSA-N 461.902 2.057 10 20 JECD COc1cc(C)ccc1C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1785000227 GWXLROMKJBIMFE-SANMLTNESA-N 476.533 2.240 10 20 JECD COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1C 1785503837 SDGFAQFTFRONAC-OZJHFHSKSA-N 482.533 2.206 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(Br)CC3)[C@H]2C1 1789931107 UOKCFIARGMJLGZ-WBIUFABUSA-N 473.751 2.272 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C34CC(c5ccccc5)(C3)C4)[C@H]2C1 1792333174 OZQCJKPGOKDYPQ-XKWRZDLNSA-N 463.534 2.208 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1scnc1C1CC1 1804330657 ATJVQXFOAAUXBV-CLLJXQQHSA-N 450.611 2.133 10 20 JECD COc1cc(F)cc(/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c1 1804335909 FQAOSPJRIYUJEX-ZKSWQTCOSA-N 477.583 2.346 10 20 JECD Cn1ncc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1C(F)(F)F 1804821283 GNTVCMJTZIGCHG-FZKQIMNGSA-N 490.442 2.274 10 20 JECD Cc1c(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cnn1C 1805924571 GWAMKODIYVTCNU-YADARESESA-N 485.548 2.236 10 20 JECD O=C(CC(=O)Nc1ccc(F)cc1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807224692 KFKFKSMCWSLUNT-FYSMJZIKSA-N 493.495 2.375 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3c[nH]nc3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993866 MNSJVQPHBFMGDJ-HTAPYJJXSA-N 458.478 2.398 10 20 JECD CC(C)N(C)CC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808469371 LWWHKZYQOZCXBI-CPJSRVTESA-N 476.581 2.221 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc(-n2cnnc2)cc1 1814702820 NFNFHRQFCHZVRX-AWEZNQCLSA-N 477.506 2.070 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCO4)sc2C1 1819123718 XDFNKEBCZKMKAW-LPZVBRGNSA-N 497.533 2.178 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3[nH]cc4c3CCC4)sc2C1 1821202639 UKNPHIVGXZOOJU-LLVKDONJSA-N 475.621 2.046 10 20 JECD Cn1cc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CN4C(=O)CSC4=S)[nH]n3)ccc2n1 1821412790 WXYUUHHSNLBRRD-QGZVFWFLSA-N 497.606 2.463 10 20 JECD CN(C)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1825604699 ABTROAIYSRELOH-SFHVURJKSA-N 489.667 2.241 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)CC23CCCN2CCC3)CC1 1830265141 CVRAERCRQIODEJ-IBGZPJMESA-N 492.711 2.485 10 20 JECD CCOC(=O)N[C@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739963 VSUCXYAMQMSVPZ-VQIMIIECSA-N 483.949 2.049 10 20 JECD O=C(Cc1cccc(F)c1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1834496338 LAACXDWGYFRRSD-UHFFFAOYSA-N 456.518 2.060 10 20 JECD Cn1ccc2cccc(C(=O)N3CCC(N4CCC(NC(=O)c5cc(O)nc(O)c5)CC4)CC3)c21 1834987677 ULZXOZMFYQCARI-UHFFFAOYSA-N 477.565 2.484 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1F)CCO2 1838856329 AXJYNKVYOZINDA-JOCHJYFZSA-N 464.877 2.274 10 20 JECD Cc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)c1 1839431753 LMJIUDBUWRGGDE-DEOSSOPVSA-N 474.941 2.372 10 20 JECD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc(C)n1 1839433759 AXEUWJMYBNJMKH-XMMPIXPASA-N 489.956 2.401 10 20 JECD CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250025 CAXDBDFWXCBZDF-INIZCTEOSA-N 460.531 2.099 10 20 JECD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1843442933 DTNOJAPEFKTDNQ-IYARVYRRSA-N 495.580 2.286 10 20 JECD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845500557 OPQBNEHZOYHVTB-INIZCTEOSA-N 493.944 2.147 10 20 JECD O=C(c1ccc(-c2cccnc2)cc1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054895 XDZHTGCEYBXUFE-UHFFFAOYSA-N 466.588 2.426 10 20 JECD O=C(c1ccc(C(F)(F)F)cc1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055233 FDXSYXDEYPMWDO-UHFFFAOYSA-N 457.499 2.383 10 20 JECD O=C(C1CCC(C(F)(F)F)CC1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056824 QLKJZKGESGNWFP-UHFFFAOYSA-N 463.547 2.419 10 20 JECD COC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1847860301 BYHOXAOXGYXEFY-NQYYFHDYSA-N 491.585 2.018 10 20 JECD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 19394788 ATOCEMSMPOKPTB-UHFFFAOYSA-N 478.482 2.166 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)N1CCS(=O)CC1 731008535 ZFKUZLKCMQAVDN-LCYFTJDESA-N 459.412 2.241 10 20 JECD NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 913224447 WTYXRDUIIXBRPE-INIZCTEOSA-N 454.866 2.139 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)CC2)cc1 915894722 OESJBPBTHHQTPE-SANMLTNESA-N 481.641 2.408 10 20 JECD COCCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 918138041 FEIRRYLEABHCGG-CALCHBBNSA-N 479.574 2.294 10 20 JECD COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 918283436 JSHHQEWJLLMXGV-UHFFFAOYSA-N 484.528 2.304 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 918304747 XOSGTKSKVVVMLT-UHFFFAOYSA-N 467.570 2.011 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CC[C@@H](C(F)(F)F)NC3=O)cc2F)C[C@@H](C)O1 919080963 UZXOPTATDAUEHR-GGKPKWOWSA-N 489.466 2.056 10 20 JECD C[C@@H](C(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c1)n1cccn1 920194258 AJZNBFZHFZSWBL-SFHVURJKSA-N 476.537 2.174 10 20 JECD Cc1nc2ccncc2cc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1778441093 MYTZZOGDHBIALS-MLQZBXHFSA-N 490.516 2.212 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1cc2ccccc2o1 1778602010 RUJIVOUEIKJXNM-WZONZLPQSA-N 487.603 2.421 10 20 JECD Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1F 1780625321 KRFFAZNVVQGGDK-SXBBHYFQSA-N 456.470 2.408 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCC(=O)N4C)C3)C2)cc1 1781371965 OZKJUWKJEQYWBJ-NVQXNPDNSA-N 464.566 2.158 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)on1 1787540102 DLUSMXDKOTVZAX-ZJBJCVSYSA-N 479.537 2.184 10 20 JECD CC(C)(C)n1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cn1 1792218116 XPEIBGNFUCQDCW-AXQFQNRHSA-N 484.553 2.062 10 20 JECD NC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccccc1 1796931924 SKZNVSBPMTZXFK-FVTFTPSCSA-N 459.550 2.160 10 20 JECD COc1ncc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1F 1804961710 WRAKCWHZHMOTNE-JLTOFOAXSA-N 467.457 2.064 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc(-n2cnnc2)cc1 1806993327 PNPSFVWQRSLDKO-JPYJTQIMSA-N 485.504 2.102 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CNC(=O)CNC(=N)N)[C@@H]2c2cccnc2)cc1 1807060258 XELGILVOJPAEII-QPPBQGQZSA-N 473.581 2.292 10 20 JECD Cc1nc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccc1F 1807991999 UAWXPRHLECTJIJ-QVKFZJNVSA-N 451.458 2.364 10 20 JECD Cc1nc[nH]c1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1808687762 RKKNOIXUFJOKHC-UDGCLTLRSA-N 463.494 2.263 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)c3cn4c(F)cccc4n3)CC2)C1 1810555063 YWASBFWFKHQPNX-UHFFFAOYSA-N 453.474 2.438 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc3ncccc3[nH]2)[C@@H]1c1cccnc1 1814190230 UGBJJRJSZGTYRG-YCRPNKLZSA-N 494.602 2.138 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc(O)ccc2F)[C@H]1c1cccnc1 1814190290 WBYZVUSIFPMCEE-XOBRGWDASA-N 488.566 2.106 10 20 JECD O=Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)s1 1815376772 ZFIGVZFQBBGFRE-SECBINFHSA-N 480.618 2.103 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc3c1OCC3)CC2)c1cc(O)nc(O)c1 1816727394 SDYIDVHLAOPELJ-LBPRGKRZSA-N 497.489 2.332 10 20 JECD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)N(C)C(=O)OC(C)(C)C 1816727396 SFPLLSOEWVJPFE-YPMHNXCESA-N 491.570 2.431 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]n1 1823497791 YXQWSFDFZUEKPG-NSHDSACASA-N 478.512 2.077 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CC=CCC1)CC2 1828243341 QFIPIOAEJYGOBD-NEPJUHHUSA-N 450.611 2.272 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cn3ccsc3n2)CC1 1828666717 PDISGGHIXHWERP-MRXNPFEDSA-N 491.664 2.489 10 20 JECD CNC(=S)NCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739694 QZWOSOXOWKXBGI-KRWDZBQOSA-N 483.034 2.469 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)CCCC(F)(F)F)CCO2 1832264453 GLYAXVHHSDCSBD-KOXUSJRISA-N 488.459 2.006 10 20 JECD Cc1nc(C)c(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)s1 1837440455 ZJUIKQSMDALYKV-UHFFFAOYSA-N 460.556 2.492 10 20 JECD O=C(CSc1nc[nH]n1)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838688691 VXHRRSCOACBLPO-UHFFFAOYSA-N 495.989 2.274 10 20 JECD COc1ccc(-c2cc(C(=O)N3CC4(CCCN4C(=O)c4cc(O)nc(O)c4)C3)no2)cc1 1843249875 KQJWSCWNXWHRAS-UHFFFAOYSA-N 450.451 2.287 10 20 JECD COc1ccc2c(/C=C/C(=O)N3CCCC34CN(C(=O)CN3C(=O)CSC3=S)C4)c[nH]c2c1 1843840710 YULSSIXBQTVOTQ-ZZXKWVIFSA-N 484.603 2.253 10 20 JECD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)C1 1847040688 WCFJDKPWGXKLHR-IYARVYRRSA-N 495.580 2.286 10 20 JECD CN(CCc1ccccn1)C(=O)CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 727476079 LEINXAYDDWDPNF-UHFFFAOYSA-N 479.503 2.437 10 20 JECD Cc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 730015277 UOHMFCOUTNUCNF-UHFFFAOYSA-N 472.479 2.393 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)CC2)cc1 742917234 UMISVUAKMRZWPA-DEOSSOPVSA-N 450.583 2.167 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N[C@@H](CN3CCCC3=O)c3ccccc3)CC2)cc1 743363962 YTVKONWTZFIRBK-DEOSSOPVSA-N 465.598 2.480 10 20 JECD O=S(=O)(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1 751270999 FXFKKQZEVWQQDN-UHFFFAOYSA-N 479.502 2.165 10 20 JECD Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1ccc(N2CCOCC2)c(F)c1 916836478 KOVSNCPQTUQYSJ-MRXNPFEDSA-N 456.971 2.470 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)cc2F)C[C@@H](C)O1 917710499 JJZHAEODBHMYDU-VDYXTEHCSA-N 480.540 2.449 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccccc3S(=O)(=O)C(F)F)CC2)cc1 918461564 FXCBKGQPMTTYRJ-UHFFFAOYSA-N 467.494 2.369 10 20 JECD CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 919790169 OCNRTZISWRLEOO-UHFFFAOYSA-N 460.600 2.350 10 20 JECD CC(C)N[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)C(C)C 1782001992 PCJUHHHCNNTEKO-GCJKJVERSA-N 453.967 2.217 10 20 JECD O=C(CCN1Cc2ccccc2C1=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005656 SYUHZUXKJFIHIK-RUZDIDTESA-N 499.951 2.241 10 20 JECD COc1ccc(/C=C/C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c(F)c1 1782059061 DDKFCGRXSHPZJU-PLOYQGSLSA-N 485.512 2.481 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)s1 1785916398 INQQTLMORXAGQV-QRFRQXIXSA-N 466.563 2.443 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(Cl)ccc(Cl)c3O)C[C@@H]21)c1cc(O)nc(O)c1 1787294171 HAXUMELKPLAHHC-WBIUFABUSA-N 482.320 2.412 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)nc1 1787760850 ZGEUMNWTYUGGTK-ODYMNIRHSA-N 461.902 2.062 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]cnc3-c3cccnc3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790244138 PVUYLNYGODZFHB-QOKNQOGYSA-N 497.939 2.443 10 20 JECD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)sc1C 1792218317 RSJAGGHUDJGNFI-OHLZFXOVSA-N 473.551 2.183 10 20 JECD Nc1nc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)ccc2s1 1795659300 BTMZFBPRNKMFCP-IVWMJMPLSA-N 488.953 2.460 10 20 JECD Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1F 1796479440 QVNGSMJPFTZABO-GPVSGQMNSA-N 464.497 2.130 10 20 JECD C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)Oc1ccccc1 1800339576 FFCAHJKCJZDOII-MUFBNLQYSA-N 490.560 2.227 10 20 JECD CCOc1ncccc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1802318166 DFJJNCNJRNZXNC-HRAATJIYSA-N 463.494 2.315 10 20 JECD O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1802382488 MDTCSLWKTNSKFI-GAJHUEQPSA-N 477.477 2.358 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1803587259 IAIUFNNPOIFMPQ-ZXYWRSMDSA-N 495.985 2.147 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807993191 FOKKNKBEMNEQSH-QLVMHMETSA-N 499.568 2.368 10 20 JECD Cn1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(C(F)F)n1 1807995147 CTMULAFOESQSMO-DJJJIMSYSA-N 472.452 2.192 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C[C@H]2CNc3ccccc3O2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995684 HTJCHSXXGSVBBK-KMEZTADASA-N 489.532 2.471 10 20 JECD COc1ccccc1CC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807998478 KBNIUDRJEIWEHX-KOSHJBKYSA-N 462.506 2.459 10 20 JECD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)on1 1808463279 BLXBXBBWWIAVJN-CLOONOSVSA-N 486.532 2.419 10 20 JECD CSCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814186089 WXESYRIGZIXJTA-YJBOKZPZSA-N 480.681 2.337 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ncc(F)cc1F 1815449505 LKOHSCSEZTZWRP-CYBMUJFWSA-N 480.522 2.249 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816727056 CQXSFEWJRQCCNT-AWEZNQCLSA-N 481.534 2.431 10 20 JECD CCOC(=O)C1(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)CC1 1817361914 LDXPJQLVQDZKIG-AWEZNQCLSA-N 495.561 2.191 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCSCC2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818145179 WNNZELBJDHMPMS-FQEVSTJZSA-N 495.609 2.244 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cccn3ccnc23)[nH]n1 1823500275 ZTAUNYOJQDQTDM-OAHLLOKOSA-N 483.579 2.224 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)n2)CC1 1827602022 XTHOHCLFEWNNFV-INIZCTEOSA-N 476.917 2.500 10 20 JECD COc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)n1 1832896779 PGQGJUMBOUQTMK-KRWDZBQOSA-N 476.624 2.184 10 20 JECD CN(C)c1cncc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1 1832896979 XHRRLQJUQDITTL-LJQANCHMSA-N 489.667 2.241 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1nc2ccccc2o1 1836481970 MKSCNXJJQJHOLE-UHFFFAOYSA-N 465.510 2.133 10 20 JECD COc1ccc(CCC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)cn1 1847034010 UQJVLSONHKYHIA-UXBLZVDNSA-N 453.495 2.056 10 20 JECD COCCNC(=O)C1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 726722327 QEAJTWKPPJZFDH-UHFFFAOYSA-N 454.518 2.441 10 20 JECD Cc1csc([C@](O)(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C(F)(F)F)n1 746836367 RRAUBJTVSLSDRS-GOSISDBHSA-N 477.530 2.143 10 20 JECD Cn1c(=O)c2c(ncn2CCSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)n(C)c1=O 828588785 CBWBKDQTOHRUDG-QGZVFWFLSA-N 466.567 2.269 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NC[C@@H]1CCS(=O)(=O)C1 914454078 OSSDKWLNILBGKR-FUEWVNAISA-N 489.438 2.201 10 20 JECD Cc1c(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 917834823 QUPDRLMROCUJFM-KRWDZBQOSA-N 463.498 2.116 10 20 JECD CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 918333937 CQXGMFRAZCRVHC-UHFFFAOYSA-N 457.596 2.265 10 20 JECD COC(=O)C1(NC(=O)COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)CCCCC1 918848308 LXZTYLSQZSYXAX-UHFFFAOYSA-N 464.474 2.193 10 20 JECD CS(=O)(=O)Cc1cccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919697697 GNCCBFWNHWQSRY-UHFFFAOYSA-N 483.569 2.417 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NC[C@H](O)COc3ccc4c(c3)OCO4)cc2F)C[C@@H](C)O1 920237216 GLJKKIHAHVZZRH-JZXOWHBKSA-N 475.517 2.407 10 20 JECD C[C@@H](OC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 920543564 RDWORLIFKKHHNB-HZPDHXFCSA-N 488.500 2.248 10 20 JECD CCN1C(=O)C(=CNc2cc(S(=O)(=O)N(CC)CC)ccc2NC)C(=O)N(CC)C1=S 920979510 BJXSZYBRENQKIK-UHFFFAOYSA-N 467.617 2.050 10 20 JECD Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c1F 1783244427 VQSFONPBDILOBO-OPAMFIHVSA-N 479.599 2.122 10 20 JECD CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)CCCCC1 1783246138 TZVJYEIEEYQQLS-OPAMFIHVSA-N 467.657 2.331 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1785266572 VFSGMNOTTGDIEN-QFIPXVFZSA-N 464.877 2.140 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc(N2CCCCC2)cc1 1790106095 HSXDQJXHNKKZSB-NYVOZVTQSA-N 480.565 2.390 10 20 JECD O=C1Cc2cccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C[C@@H]43)c2N1 1790447036 NLVXLXKCVKYJNF-AXHNFQJDSA-N 485.924 2.153 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cn2ccc(Cl)cc2n1 1797108584 WBGIJDNOJWUPNB-GAKFLWOGSA-N 498.923 2.021 10 20 JECD CSCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1803630195 MNVYRQBCGRBMEQ-MAUKXSAKSA-N 480.681 2.337 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccc(C(F)(F)F)nc1 1804332159 OYVBNIXRTDXADW-CLLJXQQHSA-N 472.514 2.213 10 20 JECD Cc1noc(C)c1CCC(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1807130927 RCBLRXHLWILQBH-UHFFFAOYSA-N 478.640 2.316 10 20 JECD O=C(CCc1ncc[nH]1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813276946 CZYWWVXKIOLYOB-RZIHNSIVSA-N 477.521 2.274 10 20 JECD CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817363488 GZGCURHCSYURIM-OAHLLOKOSA-N 496.593 2.010 10 20 JECD C/C(=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1)C(=O)O 1818147866 NVXXKVHAGKFWDN-DEQJRXDXSA-N 464.482 2.226 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1c[nH]c2ncccc12 1818548035 UMKLKRFDZHGDAW-HNNXBMFYSA-N 483.579 2.452 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)c3ccnc4c3OCO4)sc2C1 1821236050 DDGFZNRNBPETHZ-RDNKVPPGSA-N 496.501 2.323 10 20 JECD CCn1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)n1 1828195483 OHDGTBHBKUJPHM-FLUIGGAXSA-N 469.523 2.416 10 20 JECD Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)n1 1832618266 GKCXXPYHIWMNET-DEOSSOPVSA-N 489.956 2.157 10 20 JECD O=C(COc1cccnc1)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833760013 OAIITGPNOFPZES-UHFFFAOYSA-N 488.972 2.410 10 20 JECD Cc1scc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)c1C 1834536324 UJMYSGQZAHTTFY-RUZDIDTESA-N 496.589 2.228 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cc(F)ccc4s3)C2)C1 1836418352 PCOALQZBMFECPT-QHCPKHFHSA-N 487.509 2.230 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccoc1Cl)CCO2 1838844761 JBHNVPGSHRVWOG-FQEVSTJZSA-N 471.293 2.381 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)cc1 1839348824 OPKRJHOIRUQYDU-AREMUKBSSA-N 465.550 2.143 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ccn(-c3ccccc3)n2)C1 1844798485 UKICQLGOKQLJCK-UHFFFAOYSA-N 468.517 2.482 10 20 JECD Cc1nc2ccc(F)cn2c1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1845620639 JCHACHFTYCMKSX-UHFFFAOYSA-N 474.496 2.392 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846224518 VEXSEAHVAIYMBH-HRYATBACSA-N 486.569 2.249 10 20 JECD CN(C)c1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1F 725830977 KHDOCOVKNQGTAO-UHFFFAOYSA-N 469.482 2.211 10 20 JECD CC(C)CC(=O)N[C@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1 727372153 YPOYVOLHVMTHDC-QHCPKHFHSA-N 457.596 2.441 10 20 JECD CC(C)[C@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C(=O)NC(N)=O 913359668 ANLRMDAHAYJMHC-TZIYXEQSSA-N 455.583 2.492 10 20 JECD CNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 913363307 PKQFZTUCFKVGAC-SZUMLMDFSA-N 486.369 2.038 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(I)cc1 916676775 RNQQLNSBJLTWKZ-UHFFFAOYSA-N 470.332 2.456 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(Cl)c(C(=O)O)c3)cc2)C1 917929336 DQWJSSFJNDYVBZ-CQSZACIVSA-N 451.932 2.218 10 20 JECD O=C(CNC(=O)c1ccccc1I)NCc1ccc(N2CCOCC2)c(F)c1 918138004 BAAZIUDGZLBIOL-UHFFFAOYSA-N 497.308 2.313 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cn4cncn4)cc3)cc2F)C[C@@H](C)O1 918287677 RFINADXLDOLTJM-CALCHBBNSA-N 466.517 2.334 10 20 JECD COc1ncccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778126191 KNBRATXSRKHPKC-QFQXNSOFSA-N 491.548 2.011 10 20 JECD CC(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C2)C1 1779002420 POOHWVLLWIRCBB-IQGLISFBSA-N 491.585 2.020 10 20 JECD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003505 KPLKLVGPXWXUPI-QMYPENSCSA-N 477.857 2.409 10 20 JECD O=C(c1ccn2ccnc2c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005535 MASSLJVQXGXOSS-QFIPXVFZSA-N 456.886 2.156 10 20 JECD CC(C)(C)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)cn1 1783406051 YGKBWJCZSQECRA-SZMVWBNQSA-N 454.527 2.092 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccoc3C1)CCO2 1785504119 XTQOETHKJUPPKQ-ARERMIMPSA-N 468.506 2.045 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nc1)CCO2 1785505290 IJQFGJPHKHGTLF-XRRIUQSZSA-N 459.886 2.009 10 20 JECD COc1ccccc1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1790952271 GTMYIEDRVXQNON-AOPCHSIOSA-N 482.533 2.048 10 20 JECD Cc1cccc(/C=C/C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)n1 1792218848 IFZCGKHHARPNJY-SAZZSFMYSA-N 479.533 2.213 10 20 JECD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1[N+](=O)[O-] 1799331436 ZQUCOAQPLSGNHF-VPTLXERWSA-N 489.912 2.414 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ccncc1)C2)c1cc(O)c(O)c(Cl)c1 1799767416 OXXGPEPASFTRIW-HBCWATKFSA-N 463.943 2.142 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccccc1OC(F)F 1801815310 RQXQPVCMBRZZTB-MFKICJERSA-N 498.486 2.284 10 20 JECD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)on1 1804254830 QPGRSUZLHRXUSD-UQBPGWFLSA-N 486.532 2.419 10 20 JECD Cc1noc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)n1 1807530191 WIUVPMAODMQRJR-JLTOFOAXSA-N 471.901 2.400 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccn3ccnc3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995880 KVBGDEYAYLUEEN-HTAPYJJXSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccc2nc[nH]c12 1808005812 PTJIFFIMDTXFFR-OYHNWAKOSA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1nccc2[nH]ccc12 1808096297 WYEKMBKOGAKCST-YCRPNKLZSA-N 494.602 2.138 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccno2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808464257 KDOXWUKDXHCSQS-HTAPYJJXSA-N 458.478 2.182 10 20 JECD Cc1n[nH]cc1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1811495909 UNWMVUYLNMQESC-VJZFYYHCSA-N 463.494 2.263 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccc1 1811670858 KHVMLJYSHHZGTL-XLIONFOSSA-N 454.577 2.262 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811802725 AILKFZUJYSBSLT-SJCJKPOMSA-N 486.872 2.411 10 20 JECD CCC1(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)COC1 1814166065 NGWHDTJZYKBGIV-RQCLJNFQSA-N 467.522 2.344 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2c[nH]c3ncccc23)[C@H]1c1cccnc1 1814188886 DAJLSEXUEDTNTP-QRWLVFNGSA-N 494.602 2.138 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)C2Cc3ccccc3C2)[C@H]1c1cccnc1 1814190911 DQQAJDFEEHSUDK-XXBNENTESA-N 494.642 2.363 10 20 JECD O=C(c1cc(O)n[nH]1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714911 BXLVIDLGHBVQSQ-HXUWFJFHSA-N 464.526 2.142 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3ncccn13)CC2 1828198822 KXSFEJPSFKCJFM-MXPWBENCSA-N 492.517 2.242 10 20 JECD Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c(C)n1 1828247280 RFGWSSLVVOUZDX-GFCCVEGCSA-N 475.621 2.241 10 20 JECD C/C=C/C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1829269662 MNANUQFNLBNFKZ-GVKJAXJASA-N 480.521 2.135 10 20 JECD COCc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1 1832900956 MEVNHLWFGQWDGL-SFHVURJKSA-N 478.640 2.255 10 20 JECD O=C(CCCC(F)(F)F)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833662552 KBQYOSLWMGLIRN-UHFFFAOYSA-N 458.481 2.411 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)C1CC1)C2 1844251504 DEHZNOFTYBWPDN-KRWDZBQOSA-N 459.543 2.147 10 20 JECD O=C(Cc1ccc(F)cc1Cl)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056962 WGCVCLIGIGPOJE-UHFFFAOYSA-N 455.964 2.085 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)COc3ccc4c(C)cc(=O)oc4c3)CC2)cc1 23472233 OOHPCBHZMFWPQG-UHFFFAOYSA-N 466.490 2.381 10 20 JECD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 72052335 UZQSKHBNMVVHMB-HXUWFJFHSA-N 450.539 2.354 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1 728941344 VZFKJCNACYFXRG-MRXNPFEDSA-N 463.556 2.123 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1 748051823 SEAQFRCDEYTXBF-NHCUHLMSSA-N 486.657 2.049 10 20 JECD CC(=O)N1CCN(C(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CC1 864672828 GMVGUBHJKWVINM-GDNBJRDFSA-N 468.398 2.341 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 918284639 LUEAIXPLBAEAKZ-UHFFFAOYSA-N 468.388 2.427 10 20 JECD CNC(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1Cl 918436801 DUKUEIUOOBOOTJ-UHFFFAOYSA-N 462.909 2.055 10 20 JECD CC(=O)NCC(=O)NCC(=O)OCC(=O)c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 919508466 SEQOAMKGWKTSHR-UHFFFAOYSA-N 454.310 2.379 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3CCCCN3C(=O)c3ccco3)CC2)cc1 919644465 YXNSKTMQWXQNEK-HXUWFJFHSA-N 455.511 2.175 10 20 JECD COCc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919799668 IOBGUTZYMLHTNO-UHFFFAOYSA-N 478.528 2.344 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3ccc4cnccc4c3)C2)C1 1777858945 DZKDKQMQZHNFAN-MHZLTWQESA-N 483.528 2.471 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 1778196607 VFEQMRPRBORZIU-PNLZDCPESA-N 494.038 2.134 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cccc3[nH]ncc13)CCO2 1782002820 WYOHXPQFKYDAKK-QFIPXVFZSA-N 456.886 2.385 10 20 JECD Cc1ncccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783220028 NLGQBGIAHCCPCA-FFROZUAJSA-N 467.522 2.348 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(OCC4CC4)cc3)C2)C1 1785159079 XEWBIMDOCKQRIP-XMMPIXPASA-N 453.495 2.039 10 20 JECD Cc1ccc(S/C=C/C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1785539806 CMXWTVHUAZHVQE-PQCZLFTGSA-N 491.660 2.291 10 20 JECD COc1ccc(Cl)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)c1 1787294906 BOWVGOQTKRQYMQ-IWEFOYFVSA-N 461.902 2.062 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)cc1 1789295307 DSNDPMZEAILGNU-RRPUWOKSSA-N 475.549 2.085 10 20 JECD CN1CCCC[C@@H]1C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792314500 FILUSOQHZLQYQD-QGZVFWFLSA-N 460.625 2.465 10 20 JECD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccccc1 1796482686 OSSNMJNQFVVNMQ-ZHNFZGJGSA-N 460.534 2.173 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc(-c2ccccc2)no1 1798137125 HVWKXQHLCSJPNH-HBNMSFMJSA-N 499.527 2.338 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnn1-c1ccccc1)C2)c1cc(O)c(O)c(Cl)c1 1799768484 RIYOCSGPNLTPFE-VPTLXERWSA-N 482.924 2.454 10 20 JECD Cn1cccc(C(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)c1=O 1806295035 HZBCCYNCMGZRMS-UHFFFAOYSA-N 475.549 2.023 10 20 JECD Cn1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)n1 1807516279 CGVZBNXOGFFLCN-QVKFZJNVSA-N 469.929 2.442 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995238 FOMLRVNIPQUTDT-KSFYIVLOSA-N 462.462 2.250 10 20 JECD CC(C)n1nccc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807995304 PCTBTOPGZVCUJR-IIBYNOLFSA-N 450.499 2.299 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1807999734 FQIQUPGGOFBTJP-JPYJTQIMSA-N 475.505 2.480 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(Cl)c2nncn2c1 1810229779 FDZTYWFWTAUCAY-XOBRGWDASA-N 493.911 2.217 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1814197013 PROCXSYXDVMFAR-XKDCRVNJSA-N 489.532 2.026 10 20 JECD COc1ncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cc1C 1816633642 HVBZZBZIWXRUIN-HNNXBMFYSA-N 488.595 2.288 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cccnc3nc1O)CC2)c1cc(O)nc(O)c1 1816728273 DLRCCWFKXOJKAB-GFCCVEGCSA-N 478.490 2.138 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cccc4[nH]ncc34)sc2C1 1816778195 LKQJXGPCSZMJCD-SNVBAGLBSA-N 486.604 2.106 10 20 JECD COc1nccnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145969 OYEFALRZJFFXRN-GOSISDBHSA-N 488.508 2.307 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CSc2nc[nH]n2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147631 AYNHLMGWYWRGJG-KRWDZBQOSA-N 493.553 2.105 10 20 JECD CC(=O)O[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2)C(C)C 1819480130 FTDUHWLQLKXIBU-YCRPNKLZSA-N 497.577 2.436 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)CC2CCOCC2)[nH]n1 1823497288 UVOSQNXYUTWFLU-OAHLLOKOSA-N 465.601 2.079 10 20 JECD CC(C)n1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)n1 1828247539 XSNMTEJGIVFRCS-LLVKDONJSA-N 478.625 2.007 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccno2)CCO3)cc1 1834152829 CRMCULDAVPXDAS-RUZDIDTESA-N 464.522 2.466 10 20 JECD CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)CC2)CC1 1834548242 LVHPNMFCPYLABH-HSZRJFAPSA-N 487.645 2.296 10 20 JECD Cn1nc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)cc1O 1837270460 OHJSXVGTPXSXQN-UHFFFAOYSA-N 478.933 2.116 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCO4)C3)C2)cc1 1839348124 CFYIYEIVAONGSY-JYFHCDHNSA-N 467.566 2.343 10 20 JECD COc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1F 1839435335 HJTGWBLNHNUBAR-QHCPKHFHSA-N 494.903 2.283 10 20 JECD CC(C)(C)OC(=O)N1CC(CC(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1843443008 KIHIKBUEQQSTJB-UHFFFAOYSA-N 495.580 2.240 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)C2=C3c4ccccc4C(=O)N3CC2)C1 1844650189 FCXVRQZQNQDUSD-UHFFFAOYSA-N 495.539 2.254 10 20 JECD CNC(=S)NCCC(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1845398773 BLTBHEUMFSABKM-UHFFFAOYSA-N 453.612 2.395 10 20 JECD CN1CCN(C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc2)CC1 727842230 SLDGRTHXUOSAJJ-HSZRJFAPSA-N 455.578 2.450 10 20 JECD O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 747223346 SQHAVFYVPXRHKH-ZDUSSCGKSA-N 488.444 2.468 10 20 JECD O=C(COC(=O)c1ccccc1O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 825177839 SNNKBWBBVIRPIV-ZDLGFXPLSA-N 486.527 2.295 10 20 JECD CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 906469041 ZWLTYEYLGJYQOZ-UHFFFAOYSA-N 453.523 2.248 10 20 JECD COc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)NC[C@H]4CCCO4)c3)CC2)cc1 913461969 YCWGOQMTDHTBTG-OAQYLSRUSA-N 459.568 2.115 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(CN2C(=O)CNC2=O)c1 916688386 XBXNVCYOTMHLLQ-UHFFFAOYSA-N 451.527 2.269 10 20 JECD COC(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1 917273715 GZESGWDITWHSSZ-GJZGRUSLSA-N 459.474 2.094 10 20 JECD COCCOc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OC 918309514 AAZZJVBFJYYDJG-UHFFFAOYSA-N 457.527 2.154 10 20 JECD Cc1ccc([C@@](O)(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C(F)(F)F)o1 918340885 XGPWJYOAPPVNQQ-IBGZPJMESA-N 460.474 2.279 10 20 JECD CCNC(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c1 918437461 HPEZWNKYZLIQJC-UHFFFAOYSA-N 456.568 2.010 10 20 JECD CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918438326 MOXMWINSYBXTDC-UHFFFAOYSA-N 476.936 2.397 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cc2F)C[C@@H](C)O1 918989840 IKIRPANVCLUGEA-ZIFCJYIRSA-N 475.561 2.390 10 20 JECD Cc1cc(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ccc1-n1cnnn1 919081632 RUJADWBXLLJZAK-CALCHBBNSA-N 482.516 2.197 10 20 JECD CC[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 919793277 BIDCVZXDIQSNRB-PXNSSMCTSA-N 479.581 2.172 10 20 JECD C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)O)o2)CC1)c1ccc(N2CCOCC2)cc1 920882448 RBPYZSKYUOQREL-MRXNPFEDSA-N 491.566 2.093 10 20 JECD C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)c1ccc(N2CCOCC2)cc1 920926521 QRYITKDRHBWRPR-IBGZPJMESA-N 493.608 2.036 10 20 JECD CCN(CC)[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1)c1ccccc1 1782815321 SFDFEROWVWWOOZ-WIOPSUGQSA-N 468.554 2.019 10 20 JECD Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(F)c1 1785510411 ZGGBQBKBBLSLRZ-BSBODGDASA-N 456.470 2.408 10 20 JECD Cc1ccccc1NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1786943338 SBJRGTDFGUWQRE-PTLVVNQVSA-N 489.576 2.180 10 20 JECD CC(C)N(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2)C(=O)OC(C)(C)C 1792672982 MAGGNCHLLCOVLM-BJWYYQGGSA-N 462.547 2.390 10 20 JECD CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1)N(CC)CC 1799767204 ZTUOLYUVWAUINI-LORHWOILSA-N 453.967 2.075 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cc([N+](=O)[O-])ccc2F)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994379 VXMYAYABHZVRMA-IQMFZBJNSA-N 495.467 2.497 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)C(=O)c2ccco2)[C@@H]1c1cccnc1 1814161161 CJAFSOCZYPJMGJ-VACSHPSYSA-N 477.473 2.394 10 20 JECD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)[nH]1 1814162923 ZDDJUGSXIBPXDW-VJZFYYHCSA-N 463.494 2.263 10 20 JECD Cn1cncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1816520953 WNLUQHXEYHWPTB-PMGBHYCQSA-N 452.471 2.279 10 20 JECD Cc1cnn(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)c1 1818146681 XIVRDUJBMGFBTL-FQEVSTJZSA-N 474.525 2.400 10 20 JECD O=C(Cc1cncnc1)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823707834 CAORZHWYKJGOJZ-LBPRGKRZSA-N 459.915 2.466 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)CC1 1825378819 JWNOLWYOIPJWLL-QHCPKHFHSA-N 475.549 2.346 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc[nH]2)CC1 1827112000 IAEHEBJOLBECHW-SFHVURJKSA-N 462.641 2.427 10 20 JECD Cn1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)c1=O 1827714955 KGDSQRILKZEWTC-QHCPKHFHSA-N 489.576 2.412 10 20 JECD O=C(Cc1cc(F)ccc1[N+](=O)[O-])Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1828218594 DLJNUXIRTYIVDP-CYBMUJFWSA-N 487.469 2.465 10 20 JECD O=C(c1cccn2nccc12)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899334 DVAQDUAHQWEGBV-GOSISDBHSA-N 485.635 2.428 10 20 JECD O=C(CCc1cccnc1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902740 SJHCDSXCOBRRSM-LJQANCHMSA-N 474.652 2.494 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCC(F)(F)C3)CC2)CC1)c1cc(O)nc(O)c1 1834985169 CDIGLKFETVLTNB-AWEZNQCLSA-N 452.502 2.113 10 20 JECD Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1F 1836264541 QXLPWUXAKDAWHW-UHFFFAOYSA-N 456.518 2.439 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3nc[nH]c13)CCO2 1836423323 NQVIQYBPUDPRHM-HSZRJFAPSA-N 486.912 2.011 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nc[nH]c3c1)CCO2 1836933016 DYSAIRZQFLZBPT-QHCPKHFHSA-N 486.912 2.011 10 20 JECD O=C(Cc1noc2ccccc12)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837930459 WRZXUJULRATMQE-UHFFFAOYSA-N 480.521 2.489 10 20 JECD O=C(Cc1ccc(F)cc1F)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432984 FBVBYIVBGXDUHF-QHCPKHFHSA-N 496.894 2.342 10 20 JECD O=C(Cc1ccc(Br)cc1F)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250774 NWNPLSFORAFLOA-UHFFFAOYSA-N 464.291 2.454 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2ccc(I)cc2F)C1 1846905159 UUXYUGIJRPPOES-UHFFFAOYSA-N 497.264 2.367 10 20 JECD O=C(CCc1c[nH]c2ccccc12)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056409 DCIBHVXVTOPYBY-UHFFFAOYSA-N 456.593 2.164 10 20 JECD CN1CCC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)CC1 1847306187 HBAKADLYBSFFQB-VJBWXMMDSA-N 499.656 2.248 10 20 JECD COc1ccc(Cc2nnc(SCC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2N)cc1 23475821 DSJNOFYJVGYERQ-UHFFFAOYSA-N 468.583 2.041 10 20 JECD C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(N2CCOCC2)cc1 109179623 GWSOXLXRDKPVBR-SFHVURJKSA-N 458.584 2.196 10 20 JECD COc1ccc(N2CCN(CN3C(=O)N[C@@](C)(CCc4ccc5c(c4)OCO5)C3=O)CC2)cc1 725766387 RNROQQGLWKQTLJ-VWLOTQADSA-N 466.538 2.447 10 20 JECD C[C@H](c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1)N1CCOCC1 729785156 VIYOTMOLVIUORW-KNQAVFIVSA-N 493.608 2.036 10 20 JECD CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 730915027 FCDLQXHYJRRGIW-UHFFFAOYSA-N 450.499 2.238 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNS(=O)(=O)c1ccc(Br)s1 749838925 SGVVPWOAHXXGET-UHFFFAOYSA-N 488.429 2.284 10 20 JECD Cc1cc(C(=O)Cn2nnc(-c3ccco3)n2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 915669856 VYBBUTKWICJCKR-UHFFFAOYSA-N 496.549 2.244 10 20 JECD CCn1c(CCC(=O)OCC(=O)c2ccc(O)c(O)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 916614073 YTLQHKVLVRZESB-UHFFFAOYSA-N 475.523 2.076 10 20 JECD CN1CC(=O)N(c2cccc(NC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2)C1=O 918040067 ZHKBVWZHDSLCJS-QGZVFWFLSA-N 464.526 2.108 10 20 JECD C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1)n1cncn1 918440362 QRFHZBBOFWNEJE-KRWDZBQOSA-N 493.593 2.286 10 20 JECD O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc(N2CCOCC2)c(F)c1 918788455 ISDGEEFPDCDADH-UHFFFAOYSA-N 486.496 2.256 10 20 JECD CCOC(=O)N1CCC[C@H](C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 919063510 WOUJCTHCJSZIEA-SCTDSRPQSA-N 479.549 2.467 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)cc2F)C[C@@H](C)O1 919526695 ZDTAGRWPAWDQSE-CALCHBBNSA-N 486.544 2.477 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CC(F)(F)C1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126894 NSYWDKUEEPEZSC-AUSIDOKSSA-N 474.508 2.339 10 20 JECD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1778956104 LOVSOIAKWUAZGN-FNZWTVRRSA-N 481.597 2.245 10 20 JECD C[Si](C)(C)c1cc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)co1 1778993965 FLGVUSWWKXRAPJ-RUZDIDTESA-N 494.624 2.061 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(Br)CC2)C1 1780784367 GUFKDCBRAOCJNK-XRJMWENVSA-N 495.370 2.258 10 20 JECD O=C(Cn1cnc2ccccc21)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1783749848 DKJMNPVEWUIGET-QHCPKHFHSA-N 470.913 2.245 10 20 JECD O=C(COc1cccnc1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1786759849 OGYNPIDMTRLHFF-UHFFFAOYSA-N 470.576 2.455 10 20 JECD COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799620505 YTIBMWRREZVGMD-IRJINJETSA-N 485.606 2.204 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)c(F)cc1F 1800378924 JRZPROHMIDBNLS-JGPRNRPPSA-N 457.499 2.216 10 20 JECD CSc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1 1802654787 RAZWZVFEZFDVLG-MUJYYYPQSA-N 463.650 2.450 10 20 JECD C[C@@H](Sc1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1802897696 PHFBRDCMIFLURX-APIJFGDWSA-N 464.638 2.061 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1snnc1C1CC1 1804286448 PBXQZKYAJIREKA-RRJKNOHSSA-N 456.524 2.498 10 20 JECD O=C(Cn1cccn1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1807640277 OUWSIHOIODIUQQ-QRWLVFNGSA-N 455.902 2.363 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1808000623 KFWUJZDJRUYNJP-QUZZAMIASA-N 489.532 2.026 10 20 JECD CC(=O)CCC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808467289 FITKUYKSGFXIBR-DVECYGJZSA-N 461.522 2.250 10 20 JECD Cc1nnsc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808467299 FJSKFZMJPQPBBH-UTKZUKDTSA-N 489.561 2.354 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2[nH]ccc2n1 1809796624 GOQKCRZODNRQPB-QRQCRPRQSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc(O)c(F)c1 1810972437 ZRDNOLKYPIYFQD-QVKFZJNVSA-N 452.442 2.366 10 20 JECD COc1nc(C)ccc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1811043599 FLPISYCUALUHPU-IERDGZPVSA-N 463.494 2.233 10 20 JECD O=C(/C=C/c1cnccn1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813484169 FSVTZNMNZHBRQR-VRFSCZOFSA-N 495.543 2.384 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)C2CCOCC2)[C@H]1c1cccnc1 1814162537 LXBRJCQWOXPJIQ-JXMVYQEMSA-N 467.522 2.344 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc3[nH]ccc3n2)[C@H]1c1cccnc1 1814189767 YBBYQSSPNBGTRB-VFNWGFHPSA-N 494.602 2.138 10 20 JECD CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)C(=O)OC(C)(C)C 1814235238 YMOUVDBTGCTHCP-LBPRGKRZSA-N 477.543 2.042 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cccc4c[nH]nc34)sc2C1)c1cc(O)nc(O)c1 1816805650 HZSLGDJNJWCRAC-GFCCVEGCSA-N 450.480 2.365 10 20 JECD O=C(/C=C/c1cnc[nH]1)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367195 RTHBFDZWTDQHQE-KGXGESDWSA-N 475.534 2.285 10 20 JECD CC(=O)N(C)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145958 OQLYPRGHTGFSRJ-HXUWFJFHSA-N 479.541 2.063 10 20 JECD CC(=O)N/C(C)=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818147941 QQDDJBZMMOJVSE-IZLCOFNUSA-N 477.525 2.235 10 20 JECD O=C(COc1ccccc1F)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822099575 ZQUWTHJQHZHRRA-HNNXBMFYSA-N 491.570 2.480 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)Cc2cnccn2)CC1 1824305237 XBPSWRPTHMIZMQ-HSZRJFAPSA-N 474.565 2.432 10 20 JECD Cc1noc(C)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1825862759 RYQNZGGZGNHTOX-MRXNPFEDSA-N 464.613 2.385 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(F)cc1)CC2 1828246581 CATYBKUNHDAEKY-GFCCVEGCSA-N 464.569 2.368 10 20 JECD Cc1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)no1 1832899356 FSSNCHNSJADZPA-KRWDZBQOSA-N 464.613 2.006 10 20 JECD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838030369 STKXHVWREBREHK-UHFFFAOYSA-N 488.472 2.466 10 20 JECD CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccccc1 1840880226 DCWCABNNQGPGFR-USLFTCRASA-N 496.560 2.467 10 20 JECD CS(=O)(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1F 1846893589 KZEYSSFPTQUMSA-UHFFFAOYSA-N 482.917 2.425 10 20 JECD CCCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(C(=O)O)c2)cc1 728015895 YYFJJGQOKQTMKU-UHFFFAOYSA-N 456.498 2.124 10 20 JECD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCc1ccc(N2CCOCC2)c(F)c1 917087159 SWLXKPJRWDWIGY-UHFFFAOYSA-N 480.518 2.204 10 20 JECD CC(C)N1C(=O)c2ccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2S1(=O)=O 917706693 HZTRYXGRBNLUJP-UHFFFAOYSA-N 461.515 2.145 10 20 JECD Cc1oc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1S(=O)(=O)N1CCCC1 917836701 RPFKLWYVDSCCNI-SFHVURJKSA-N 474.583 2.004 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3cccc(NS(C)(=O)=O)c3)cc2F)C[C@@H](C)O1 918832261 OJESYMUWBMXZTH-HZPDHXFCSA-N 493.557 2.284 10 20 JECD COCCN1C(=O)/C(=C\Nc2ccccc2C(=O)NCc2ccc(C)cc2)C(=O)NC1=S 920978859 KSRCIEMZNOESCD-JXAWBTAJSA-N 452.536 2.111 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3cc(F)cc(F)c3)C2)C1 1780815783 HSPNVIZFFVKKBH-DEOSSOPVSA-N 468.460 2.201 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cnn2cccc(F)c12 1790521631 BRSXVLQGAUMGLM-ODYMNIRHSA-N 488.903 2.445 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c(C)o1 1792218809 SEAQQYFWKFHTQE-XCRAAVHRSA-N 456.495 2.320 10 20 JECD COc1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(F)c1 1794782742 ZCQKFIWKLZNPEI-PLCSWTFUSA-N 457.458 2.311 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cccc2[nH]ncc12 1796159182 MAIGNFBXTUNASB-DBWKPXFBSA-N 456.886 2.145 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ccncc13)C2)C1=NN(c2ccccc2)C(=O)C1 1796480739 HIPHCZNEODGEGH-HBNMSFMJSA-N 483.528 2.231 10 20 JECD CC(=O)O[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)C(C)C 1796934618 MVYSBNCKPYAJHK-ITBLURSFSA-N 454.527 2.005 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807999484 SYIPQPUYJJFVRA-QSAZIKIQSA-N 461.522 2.481 10 20 JECD CCc1cc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n[nH]1 1808468798 YCVHNRGAFXGSNE-KOSHJBKYSA-N 485.548 2.480 10 20 JECD CC(C)n1nccc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1810895487 ZXCKGTZFBNDBLA-OXQOHEQNSA-N 486.623 2.039 10 20 JECD Cc1noc(N)c1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814161959 DBOZNPODPYULGB-SMQNEPHISA-N 479.493 2.110 10 20 JECD Cc1nc[nH]c1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814163754 KWFBKNMOTXZTCG-IRUILINGSA-N 463.494 2.263 10 20 JECD Cc1nc[nH]c1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814163755 KWFBKNMOTXZTCG-PQGDUDRBSA-N 463.494 2.263 10 20 JECD CN(C)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)nc1 1816219033 LVOYEPVDZTVZDM-MRXNPFEDSA-N 487.611 2.037 10 20 JECD Cc1noc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)n1 1818146515 NKWIICMROGOUJL-GOSISDBHSA-N 476.497 2.129 10 20 JECD CC(=O)Nc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)o1 1819787213 MVQKFOBRUWAEBI-NSHDSACASA-N 457.468 2.040 10 20 JECD COc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)nn1 1820040900 HHXGALGKSOLWOF-DHINHOHASA-N 480.481 2.344 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)Cn2ccnc2)CC1 1826083388 PWPWWGXDGJCJIB-WSSFADSRSA-N 454.527 2.333 10 20 JECD Cn1ccnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715295 KVXYLQPEGXLUCD-NRFANRHFSA-N 462.554 2.446 10 20 JECD CS(=O)(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830741389 WDOKJFGHXIBWAQ-QGZVFWFLSA-N 472.991 2.419 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nccn23)CC1 1830937869 LAPRLSICRAFCQC-QGZVFWFLSA-N 485.635 2.428 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cnc2cc(Cl)ccn12 1834960699 SUIWEGHDQWEZIB-UHFFFAOYSA-N 498.971 2.293 10 20 JECD Cc1ccc(OCCC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834985428 OSFMGYMZOJOAOU-UHFFFAOYSA-N 482.581 2.456 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)cc3F)C2)C1 1839433714 RMYUFNYCODMGIO-JOCHJYFZSA-N 482.867 2.413 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)C3(C(F)(F)F)CC3)C2)C1 1839434047 KGCSIGMXNCMLHV-SFHVURJKSA-N 478.851 2.164 10 20 JECD CC(C)(C)OC(=O)N(CC(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1)C1CC1 1843440816 MNBAGYNWYSRADN-UHFFFAOYSA-N 495.580 2.382 10 20 JECD O=C1Nc2ccccc2/C1=C/C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038026 ZMIGKJFMGZGQHE-ULPTZDRWSA-N 461.474 2.056 10 20 JECD O=C(c1ccc(OCC2CC2)cc1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055896 BBFKHZAVAOQOMR-UHFFFAOYSA-N 459.593 2.153 10 20 JECD C[C@H]1CN(CCNC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CCO1 725720729 JVJZKAVVWVKEHU-ATTDUZETSA-N 484.441 2.487 10 20 JECD COc1ccc(N2CCC(NC(=O)N3CCN(CC(=O)N4C[C@@H](C)C[C@@H](C)C4)CC3)CC2)cc1 726716757 PLVMQRYOXNKTEH-OYRHEFFESA-N 471.646 2.496 10 20 JECD O=S1(=O)CCN(c2ccc(CNS(=O)(=O)c3cc(Br)ccc3F)cc2)CC1 726977218 ZCTYLMZQKCUFDG-UHFFFAOYSA-N 477.377 2.302 10 20 JECD COc1ccc(N2CCC(NC(=O)NCCCCN3CCN(c4ncccn4)CC3)CC2)cc1 729233788 VUHVTPABXXCGQV-UHFFFAOYSA-N 467.618 2.356 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)OC(C)(C)C)cc2F)C[C@@H](C)O1 743102116 IJZWOCYFFYYKOS-GASCZTMLSA-N 453.511 2.123 10 20 JECD CN(C)c1ccc(CNC(=O)N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1F 747306678 LOBDUUMDTLVZNJ-KRWDZBQOSA-N 465.570 2.454 10 20 JECD COc1cc(CCNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c([N+](=O)[O-])cc1OC 918119021 XPLJNCNBAXDUON-SFHVURJKSA-N 485.541 2.356 10 20 JECD CS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 918278813 ZZZJWVIEYYOTMS-UHFFFAOYSA-N 485.484 2.200 10 20 JECD COCCOc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1OC 918440471 RLCJNTUNEPMAHX-UHFFFAOYSA-N 475.517 2.076 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)C2)C1 1785385260 UMGDKPGDZUYXMT-WAWZGNHOSA-N 457.449 2.305 10 20 JECD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccccc1 1785544125 CRGSSGSOZWKMPK-DVMGJAEMSA-N 452.507 2.450 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1cnc2ccccc2n1 1787801000 UPYJYHUINFXAIW-KDLAUNOPSA-N 498.543 2.016 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790246019 DLIHLFLGUUBPPB-BAGFXWCHSA-N 475.929 2.207 10 20 JECD Cc1ccc(F)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1792641612 VPSBJELFWVVWHM-GPVSGQMNSA-N 464.497 2.130 10 20 JECD Cn1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)ccc1C(F)(F)F 1797201185 OISYWRXHEPMBLD-ZSBIGDGJSA-N 474.530 2.156 10 20 JECD COc1cscc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799768551 ZNPGIXUAWJVSNF-DPIQGUFMSA-N 452.916 2.338 10 20 JECD C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1800371874 NAOXJJOKHUHDGA-WSKSGDEPSA-N 484.524 2.424 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ncc(F)cc2F)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994376 VVQUWGRJVAGFBC-XCLFUZPHSA-N 455.421 2.194 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C[C@@H]2CNc3ccccc3O2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995689 HTJCHSXXGSVBBK-MVIPISOYSA-N 489.532 2.471 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cn3cc(F)ccc3n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996409 RPENGPJYAIDESO-IVZQSRNASA-N 476.468 2.308 10 20 JECD Cc1ccn2c(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)cnc2c1 1807998777 FUJNQZLASUWWFJ-SBUREZEXSA-N 472.505 2.477 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CC23CCCN2CCC3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999562 LYEXGDIYMIQIJD-JPYJTQIMSA-N 465.554 2.226 10 20 JECD C[C@H](Nc1nccs1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1808384781 VPKXKBWILZEQJQ-OHNRDTAOSA-N 468.539 2.165 10 20 JECD CO/C=C(\C)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808468588 UTVAMRXJDONZOU-PJDJRYGESA-N 461.522 2.431 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1snnc1C1CC1 1808852935 BMPUGKGNDUCHKX-LIRRHRJNSA-N 466.523 2.250 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810281845 HHTQQNWYBMXAQW-UZUQRXQVSA-N 489.532 2.237 10 20 JECD COC(=O)c1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1813200278 JIMKTPNMMREEKM-YADARESESA-N 490.516 2.237 10 20 JECD O=C(CCc1ccoc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1813525067 DPFURLUPJKFVAQ-DYESRHJHSA-N 472.592 2.174 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccnnc2)[C@@H]1c1cccnc1 1814162662 OZKXJRYEATYTRY-JEYNVIPUSA-N 461.478 2.021 10 20 JECD CC(C)n1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n1 1817362681 TYOAOJCAHDNNNQ-AWEZNQCLSA-N 492.565 2.334 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cc4cccnc4[nH]3)sc2C1 1819171497 DSERZCQLXONAAR-NSHDSACASA-N 486.604 2.106 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccn2cncc12 1819181520 PBOQLQLJXDVSAF-HNNXBMFYSA-N 483.579 2.224 10 20 JECD O=C1C[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CCN1 1822482187 DDJPZCGHWGKHNZ-NHYWBVRUSA-N 461.906 2.306 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)CC2)c1cc(O)c(O)c(Cl)c1 1823712720 VOJMBBYORGSWNK-BONVTDFDSA-N 485.971 2.011 10 20 JECD CCCc1onc(C)c1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828244362 CUMJZHGREKZLOK-LLVKDONJSA-N 493.636 2.478 10 20 JECD COc1c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)ccc(F)c1F 1834987592 YFKNYDQRQGZECU-UHFFFAOYSA-N 490.507 2.279 10 20 JECD O=C(Cc1cccc(F)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835025271 SEGNJWRVWNIXQG-QHCPKHFHSA-N 478.904 2.203 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)CCc3cncnc3)CC2)CC1 1837947129 TUYQGPSYPMCVRB-ZZXKWVIFSA-N 496.564 2.238 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)C1 1842283184 VWUYJMVTTYNLGK-UHFFFAOYSA-N 455.421 2.292 10 20 JECD COc1ccc(N2CCC(NC(=O)Nc3cccc(S(=O)(=O)N4CCN(C)CC4)c3)CC2)cc1 726696746 BXOUZBIXLMETQD-UHFFFAOYSA-N 487.626 2.422 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)c1ccc(N2CCOCC2)cc1 728140884 IGSYPZMUNQEERD-QGZVFWFLSA-N 456.518 2.315 10 20 JECD CN1CCCc2cc(CNC(=O)COCC(=O)NCc3ccc4c(c3)CCCN4C)ccc21 746809284 SEBFMZKKGFZPMJ-UHFFFAOYSA-N 450.583 2.401 10 20 JECD O=S1(=O)CC[C@H](NS(=O)(=O)c2ccc(NCc3c(O)cccc3Br)cc2)C1 863993744 SDDWTGKMQMGPLO-ZDUSSCGKSA-N 475.386 2.232 10 20 JECD Cc1cc(C(=O)COC(=O)C2CCN(c3cnccn3)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 913557754 PDUSKIZZRAJIJQ-UHFFFAOYSA-N 497.577 2.174 10 20 JECD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 916566165 ONQUDOLDLDUVLN-SFHVURJKSA-N 466.494 2.465 10 20 JECD CCc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1S(=O)(=O)N1CCOCC1 917708652 MELHRXCOLAKQKB-UHFFFAOYSA-N 491.585 2.176 10 20 JECD CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)cc1 917870659 SZGMVENDGNNCLX-QHCPKHFHSA-N 474.583 2.417 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)C[C@H]3Oc4ccccc4NC3=O)cc2F)C[C@@H](C)O1 919001591 TXTOJJJVYDIPBP-XCGNWRKASA-N 485.512 2.389 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CN(C)C(=O)c3ccc(Br)s3)nc12 919531517 AIZYCIYDXGTSIV-UHFFFAOYSA-N 497.327 2.251 10 20 JECD CC(=O)NC1(C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCCCC1 920534249 JPDXJHFFPSDPNL-IAGOWNOFSA-N 463.550 2.438 10 20 JECD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)n1ccccc1=O 1779530147 GURRINILPBUKRP-OFJJYEOVSA-N 489.956 2.302 10 20 JECD O=C(c1c[nH]c2nccc-2c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782002073 QYJYTTWHKPBVSW-JOCHJYFZSA-N 456.886 2.336 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3ccncc3)[nH]n1)CCO2 1782007203 MNKWMQOVMNCBAE-QHCPKHFHSA-N 483.912 2.294 10 20 JECD CC(C)n1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)n1 1783221721 MFRQYZYIRGVIDY-OOSRFHLNSA-N 484.553 2.422 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 1790126722 JYIODQPJAREQEL-OHCFRWENSA-N 478.593 2.378 10 20 JECD Cc1nc(N)sc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796931980 XNBZVMYAEZYMPJ-RBVVOMGSSA-N 452.540 2.078 10 20 JECD Cn1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c2cccnc21 1797578196 MUFOYGNVGIPTLG-HBCWATKFSA-N 470.913 2.155 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3nccc-3c1Cl)C2 1802080357 VVFABSXURWCXTR-JOTXDYOYSA-N 498.923 2.201 10 20 JECD CC[C@H](C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1803620251 XCNBMKGJDHLIHB-ABEZYIQYSA-N 469.538 2.325 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cnco1 1803872753 IYAPUOOCJIWZPA-CVTZPFNJSA-N 450.451 2.219 10 20 JECD Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)n1 1806808624 RPPXUTBNAWAQTQ-UHFFFAOYSA-N 474.652 2.414 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccn2cncc2c1 1809969879 FPKLHDXIPVJBTE-VGOFRKELSA-N 458.478 2.169 10 20 JECD COc1ccccc1CC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1812767533 MPHULOPCNAPFMI-MBSDFSHPSA-N 498.630 2.199 10 20 JECD CCCC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1820111133 DABQXFOUCWCGPL-GJZGRUSLSA-N 496.593 2.153 10 20 JECD O=C1Cc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)c2N1 1821514617 LXDHCFUIMGWGQG-MRXNPFEDSA-N 462.466 2.330 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)C2CC(O)C2)CC1 1824113201 HEJFBFAJWHTDEV-ZNIKRAEXSA-N 452.555 2.170 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3ncccn3n1)CC2 1828199606 ZIIRINHDSWECBQ-LPZVBRGNSA-N 492.517 2.242 10 20 JECD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901957 WCEFRAFWOGAHIF-HNNXBMFYSA-N 479.584 2.017 10 20 JECD C[C@H]1C[C@]1(C)C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836366547 WBEKCIFUHNVXOO-QYBDOPJKSA-N 465.598 2.397 10 20 JECD C[C@H](Cc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881147 FFLSRCPWIDJWST-OUIOLJNISA-N 496.560 2.152 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c(C)c1 1840881314 OWGMUSMCXMTEBB-ZWDKTXKMSA-N 482.533 2.204 10 20 JECD NC(=O)CCN(Cc1ccccc1)C(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O 9659007 NCZPFKXRKRPHLM-UHFFFAOYSA-N 485.496 2.105 10 20 JECD Nc1c(C(=O)OCC(=O)NC(=O)NCc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O 10959163 JWUXGOKBVBMSSM-UHFFFAOYSA-N 457.442 2.227 10 20 JECD CS(=O)(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)ccc1F 727251484 SXTBGZDBONWUMG-UHFFFAOYSA-N 480.528 2.129 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)O)sc2Br)cc1C(=O)O 728015279 PCNZOTLQBWAPGZ-UHFFFAOYSA-N 499.342 2.079 10 20 JECD CN(C(=O)CN1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1)C1CCCCC1 728748117 ULLUIHGMZNXGDR-QFIPXVFZSA-N 498.672 2.007 10 20 JECD COC(=O)CNC(=O)c1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c([N+](=O)[O-])c1 917086424 KCJCFGHFRLSRGI-UHFFFAOYSA-N 460.462 2.210 10 20 JECD CCOc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2=O)cc1 917831829 AYMLZVJVVCVTRJ-UXHICEINSA-N 464.566 2.456 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)C1 917833210 NFKWGEYMHKRVSA-NHCUHLMSSA-N 484.622 2.105 10 20 JECD COc1ccccc1C(=O)N1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 918220945 NCBWJXBHGKZOGR-UHFFFAOYSA-N 470.545 2.463 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1 918310608 QFJRKWWGRDIEDS-UHFFFAOYSA-N 476.599 2.389 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(C(=O)NC4CC4)c3)cc2)C1 918464597 XEUCAGQKPGARJF-INIZCTEOSA-N 497.983 2.189 10 20 JECD COC(=O)c1cc2cc(NC(=O)C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)ccc2o1 918465437 MKZDNEOXBQGRGQ-INIZCTEOSA-N 478.505 2.176 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@H]1CC[C@H](C(F)(F)F)NC1=O 919699668 VTPSDKKCUUMGMB-CRAIPNDOSA-N 480.466 2.016 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc3ccoc3c1)C2)c1cc(O)nc(O)c1 1777848297 ONDNTMXXXMBKHN-WZONZLPQSA-N 452.467 2.075 10 20 JECD COc1ccc2c(/C=C/C(=O)N3CC[C@]4(C3)CN(C(=O)c3cc(O)nc(O)c3)CCO4)c[nH]c2c1 1778120636 IYOVJWAWWFTSKN-PDXRRZLKSA-N 478.505 2.140 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cccc3c1OCC3)CCO2 1782005485 JAOQBVJPNQQYSJ-QHCPKHFHSA-N 458.898 2.443 10 20 JECD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)ncc1[N+](=O)[O-] 1782005700 WLYUKHWLPURZFP-NRFANRHFSA-N 476.873 2.120 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1782007157 KZVBPPRIIJOWJP-LJQANCHMSA-N 456.833 2.100 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1c(F)cccc1F)CCO2 1785507067 JPWGSMXBEKXYJG-BVBLWJPBSA-N 460.433 2.239 10 20 JECD Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785510137 OIVSVYLUJCTCPN-BSBODGDASA-N 456.470 2.408 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3cnc(OCF)cn3)cc2)CCC1 1787117859 YBWIUXLUHLKUSL-UHFFFAOYSA-N 489.554 2.390 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)ccc3Br)C[C@@H]21)c1cc(O)nc(O)c1 1787292477 UZHGDUCNXJBLLM-KCTSRDHCSA-N 494.317 2.302 10 20 JECD Cc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)sc1C 1789134925 UXKPNRLMZHMDNT-OHLZFXOVSA-N 473.551 2.183 10 20 JECD CC(C)c1csc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)n1 1794257814 SYWDONNXYRGPCQ-LODQTJKBSA-N 473.551 2.300 10 20 JECD O=C(C[C@@H]1OCCc2ccccc21)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804334543 OMRKTTYDDZLJCO-ZMMAXQRCSA-N 473.620 2.189 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cc(C(F)F)no1 1807727423 QRJKPUBGRNEHGU-YVEFUNNKSA-N 495.533 2.187 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCc2cn[nH]c2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808464132 JLTSQKKWSAQKFH-CPJSRVTESA-N 485.548 2.236 10 20 JECD CC(C)n1cnc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1808722216 SEHXJBPVCWIMNA-GLCUETTDSA-N 492.536 2.404 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCN2CCOC2=O)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811807357 YFTCISCTYSZBSO-MGPUTAFESA-N 488.928 2.308 10 20 JECD O=C(O)CSCC(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811808409 AKQXCJPPFPIPFE-BFUOFWGJSA-N 479.942 2.284 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1cnn2c1CCC2 1812141733 QMQKVAHERXYQFW-CLOONOSVSA-N 497.559 2.337 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c(O)c1 1813784129 ZPYYPXPYVMCHOP-HRAATJIYSA-N 484.603 2.276 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cnccc2Cl)[C@@H]1c1cccnc1 1814188933 FWZDKVAWBDNVIS-IFXJQAMLSA-N 490.010 2.310 10 20 JECD CC(=O)N[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)c1ccc(F)cc1 1816727063 CRCNPEHQIKCAJE-YWZLYKJASA-N 499.524 2.192 10 20 JECD CCCc1onc(C)c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1817659150 JHMNFRVHBUXNLR-LLVKDONJSA-N 493.636 2.478 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2nonc2c1 1818170986 BARDUJQZGRBUIQ-LLVKDONJSA-N 452.452 2.025 10 20 JECD CN(C)c1cncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c1 1823496651 NVWVJYAGSQGRJY-MRXNPFEDSA-N 487.611 2.037 10 20 JECD CC[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1827568214 PEPGSUBSHIXDGL-IRXDYDNUSA-N 466.966 2.431 10 20 JECD C[C@@H](Cn1cncn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1829056874 GAUJKDPRQGJGCO-OEFDOCSMSA-N 483.569 2.364 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899143 AHGORVMLFVRNQX-WMZOPIPTSA-N 490.651 2.329 10 20 JECD Cc1cncc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1832959104 RWUODWGCVDLGBB-DEOSSOPVSA-N 489.956 2.157 10 20 JECD CC[C@@H](C)[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833498965 JKRIIUBWCSJRRY-VLIAUNLRSA-N 467.994 2.343 10 20 JECD O=C(c1cnc(-c2ccccc2)s1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055435 KXJFJEFZJDEAOH-UHFFFAOYSA-N 472.617 2.487 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)ccc21 728638168 XIHLIAHFUZSWJI-UHFFFAOYSA-N 485.562 2.298 10 20 JECD C[C@H](NC(=O)NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(N2CCOCC2)cc1 729227275 ZPPZANGZHAXQNA-SFHVURJKSA-N 466.586 2.180 10 20 JECD O=[N+]([O-])c1cc(CNCCS(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1N1CCCCC1 916838707 VKYPBVSGBMQJHJ-UHFFFAOYSA-N 488.614 2.222 10 20 JECD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918437429 HBYKLKSIZQMGOJ-UHFFFAOYSA-N 468.529 2.242 10 20 JECD NS(=O)(=O)c1ccc(OCCSCC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 918617504 TWYDKQZCOSQINM-UHFFFAOYSA-N 481.665 2.316 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(NC(N)=O)cc3)cc2F)C[C@@H](C)O1 918959160 DHIOZRBLYOJBFI-GASCZTMLSA-N 458.490 2.403 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(OCC(F)(F)F)c(F)c3)C2)C1 1781439519 DYHIUKXPTCFMPU-OAQYLSRUSA-N 499.417 2.330 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cnc3ccc(F)cn13)CCO2 1782009060 PNQWWAGAAFCOLB-QFIPXVFZSA-N 474.876 2.295 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009668 YMFVOMCVYCQGRD-RCDICMHDSA-N 461.902 2.057 10 20 JECD C[C@H](Cc1ccccc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783246604 AZDCATDOOVSJRQ-ROMRWMGNSA-N 489.663 2.239 10 20 JECD COc1cc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(F)c1 1785510281 SVPOJQSQHXZMNB-JURIHQFCSA-N 490.459 2.247 10 20 JECD Cc1cc(C)nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1 1787191891 GDTZLETVANDUNO-GMHLOAMTSA-N 467.522 2.122 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ccc3O)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790244275 XTOWZVYFFKNDSP-LLJZQGTPSA-N 462.886 2.070 10 20 JECD CCN(CC)C[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1790602348 UDOVUKKZEQNYSK-RPWFAHAXSA-N 467.994 2.322 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccs3)C[C@@H]21 1792217405 BFDKBEDDAIXWOU-HHXOFPRMSA-N 472.563 2.491 10 20 JECD Cc1ccc(C)c(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1 1802079638 NPPIUOCZGFYEHT-HJGDSWMPSA-N 466.534 2.266 10 20 JECD Cc1scc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1C 1802080972 FACPQXWFWMRHDU-UUYBIMOCSA-N 458.536 2.398 10 20 JECD COc1cccnc1CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804453047 NGACBIYOVXYAMU-MZNJEOGPSA-N 477.521 2.244 10 20 JECD CN(C)c1ncc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)o1 1805345636 HPNCHOLLFHGEDW-SAWCTTBHSA-N 493.520 2.285 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnn3ccccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996004 LTFHUXXSDDQNIE-OPAMFIHVSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cnc2ccccc2n1 1808968593 XPVVNSLXRNRUMA-MWTRTKDXSA-N 470.489 2.464 10 20 JECD COc1ccc(CC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)cc1 1809274138 DODKMFIECSUVEB-UHFFFAOYSA-N 475.636 2.329 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccnnc2O)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811805584 BIVPGZCPXJFIJE-ACJLOTCBSA-N 469.885 2.275 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CSc2nc[nH]n2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810730 WXZCLNVMTLXCQU-UGSOOPFHSA-N 488.957 2.376 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)[C@H]1CCCS1(=O)=O 1812497421 JVECNIGZJKBVSW-KYNGSXCRSA-N 493.969 2.043 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cccc3c2OCC3)[C@@H]1c1cccnc1 1814189036 JYGLOJHHNJCXDA-DYESRHJHSA-N 496.614 2.196 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)Cn4cnnn4)sc3C2)cc1 1815685462 FTYNIHBAAAWVIS-QGZVFWFLSA-N 476.566 2.463 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)c3cnn4ncccc34)sc2C1 1816947898 IJKSQQUBPOTDRZ-FLUIGGAXSA-N 492.517 2.242 10 20 JECD COC1(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)CCC1 1823073336 GELVTFOOPACIMX-CQSZACIVSA-N 465.601 2.221 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823500024 KKEJOHLQRJKXIP-UKRRQHHQSA-N 487.611 2.158 10 20 JECD NC(=O)c1ncccc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708321 RTIGLLNMPZMNIC-JTQLQIEISA-N 487.925 2.241 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1Cl)CCO2 1829500629 XDRSEVYKBBUAKQ-OAQYLSRUSA-N 482.320 2.183 10 20 JECD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877317 FMYWZWOYBPFYCL-YERXGYGTSA-N 485.497 2.381 10 20 JECD COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)nc1 1832902456 MIEXYYSDTLMQBL-SFHVURJKSA-N 476.624 2.184 10 20 JECD C[C@@H](Sc1ccccn1)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988079 CGLOMMIJZRULEN-MRXNPFEDSA-N 485.610 2.254 10 20 JECD Cc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1835042568 VBDHENNYOPFXFI-DEOSSOPVSA-N 474.941 2.372 10 20 JECD O=C(CCc1ncc[nH]1)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838111839 UCBQSDIROOYPNH-UHFFFAOYSA-N 492.580 2.134 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1839433690 PVQIQBGFTJDGKA-HSZRJFAPSA-N 486.912 2.011 10 20 JECD CC(C)(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)c1ccccn1 1840329553 GJYXAFIZEJQFIL-DEOSSOPVSA-N 489.956 2.194 10 20 JECD CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4cccc(-n5cnnn5)c4)cs3)ccc21 727250369 JHOGGTCJMTTZNL-UHFFFAOYSA-N 467.536 2.496 10 20 JECD COC(=O)[C@@H](F)C(Nc1ccc(Cl)cc1C(=O)c1ccccc1F)=C1C(=O)NC(=S)NC1=O 814330262 NUQPLVUZCOBTNW-HNNXBMFYSA-N 493.875 2.418 10 20 JECD C[C@H](OC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)C(=O)N1CCNC1=O 913364217 XLGRPEIEVICKSQ-AAIQCTMTSA-N 498.380 2.134 10 20 JECD Cc1cc(N)nc(SCC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)n1 913593545 ZSWQXLWWOZKWAJ-OVCLIPMQSA-N 489.604 2.206 10 20 JECD CC(=O)OCCN(C)c1ccc(/C=C2/N=C(c3cccc(S(=O)(=O)N(C)C)c3)OC2=O)cc1 916547742 IMSPLUDACJKPLU-KGENOOAVSA-N 471.535 2.281 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 918340519 QPJAFVBCQHZDOA-NRFANRHFSA-N 467.591 2.079 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cccc(NS(C)(=O)=O)c3)cc2F)C[C@H](C)O1 918832259 OJESYMUWBMXZTH-HOTGVXAUSA-N 493.557 2.284 10 20 JECD COC(=O)CC1CCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 919782283 HLPRCVJYCKKXDU-UHFFFAOYSA-N 470.549 2.427 10 20 JECD CN1CCN(Cc2cccc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2)CC1 920189654 KSTMAOVHWROLCJ-HSZRJFAPSA-N 466.582 2.286 10 20 JECD CC1(C)CCC(CC(=O)N2CC[C@@]3(C2)CN(C(=O)CN2C(=O)CSC2=S)CCO3)CC1 1781409527 IDZWYIKABZDPRQ-JOCHJYFZSA-N 467.657 2.283 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1782007391 FCNJQULNKPUAMP-QHCPKHFHSA-N 484.896 2.157 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)c(C(F)(F)F)o1 1786064628 NTPFJWHAUKNPIY-CQDKDKBSSA-N 469.416 2.320 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc(OC(F)F)cc3Cl)C[C@@H]21)c1cc(O)nc(O)c1 1787291911 QEIGPSCXGCCFFA-XEGUGMAKSA-N 498.870 2.050 10 20 JECD CC(C)(C)n1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)n1 1787537209 DVBIXQUSUISGNR-JLMWRMLUSA-N 492.580 2.024 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2c(Cl)cccn12 1796529051 CRYINMYKLRVUMA-CLLJXQQHSA-N 477.999 2.100 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccc2nscc12 1800036549 CVONTICUPOGXDM-XENLCIIUSA-N 481.530 2.330 10 20 JECD COc1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1807990869 KMZNSCLRFOCEQZ-HOYKHHGWSA-N 462.506 2.459 10 20 JECD Cc1c(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cnn1C 1808468090 OCYQGXUGGMVBIA-CYFREDJKSA-N 485.548 2.236 10 20 JECD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)no1 1808469330 LROQWXMBXDDNND-CLOONOSVSA-N 486.532 2.419 10 20 JECD COc1nc(C)ccc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1811043597 FLPISYCUALUHPU-HRAATJIYSA-N 463.494 2.233 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1O2 1812887906 BDWNZYICVVPOID-QFMWHMJQSA-N 487.560 2.448 10 20 JECD CO/C=C(\C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814163560 HNCPKGPOHAYDPC-LHZMTJOASA-N 453.495 2.468 10 20 JECD CS(=O)(=O)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)c1 1814617917 OTACEWQUJMCRNC-KRWDZBQOSA-N 485.522 2.239 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cscn1 1816490629 KTPJLQNFIZLFCI-LBPRGKRZSA-N 450.571 2.032 10 20 JECD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)n1cccc1C=O 1817492790 VUJMBQYXJOQPRV-CZUORRHYSA-N 488.595 2.137 10 20 JECD CCc1noc(C)c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1820657001 HRQPKFAPCUEJIF-SNVBAGLBSA-N 479.609 2.088 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)c1ccc(O)cc1 1828246631 GQLPTRQYDKHTPK-WCQYABFASA-N 490.632 2.425 10 20 JECD Cc1nc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)sc1C 1834988894 QMTDNFODHJDRAM-UHFFFAOYSA-N 459.572 2.065 10 20 JECD Cc1nc(C)c(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)o1 1835132812 QNSADTNGLCNHIB-UHFFFAOYSA-N 492.580 2.270 10 20 JECD Cc1ncc(C(=O)NC2CCN(C3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)s1 1835256490 FEYJFVJFCCATAH-UHFFFAOYSA-N 494.621 2.430 10 20 JECD Cc1nc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)ccc1F 1837285053 XNAYWSYTDJIEHJ-UHFFFAOYSA-N 494.614 2.002 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cccc3F)C2)C1 1839433228 AJASPNBHCHYZOO-QFIPXVFZSA-N 482.867 2.413 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3OCC4)C2)C1 1839434111 NVWMUWZUOAXAJC-XMMPIXPASA-N 488.924 2.070 10 20 JECD CC(C)(C)CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1839986227 IZPXLFVDCIWECK-HSZRJFAPSA-N 499.699 2.300 10 20 JECD COc1cc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)c(NC(=O)OC(C)(C)C)cn1 1843249291 STJKGVNVUQORLU-UHFFFAOYSA-N 499.524 2.374 10 20 JECD C[C@]1(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CCN(C(=O)OCc2ccccc2)C1 1843251060 SNJMKFPPXNRADT-VWLOTQADSA-N 494.548 2.359 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O 1848069149 MJAUMQHRSSZXQJ-RWZIQFRASA-N 463.534 2.075 10 20 JECD CCS(=O)(=O)Nc1ccc(NC(=O)C2=S=C(NC(=O)c3ccco3)C=C2C)cc1OC 490567547 RXWUFYAABMBBDW-UHFFFAOYSA-N 463.537 2.414 10 20 JECD Cn1c(=O)oc2cc(NC(=O)C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)ccc21 728405346 HATTWTJASYAPPM-UHFFFAOYSA-N 460.437 2.457 10 20 JECD CN(C(=O)CN1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1)C1CCCCC1 728596723 HNOJKUMNHZKZMX-UHFFFAOYSA-N 475.609 2.281 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 729034293 JWSCSWJYQQWQRL-AWEZNQCLSA-N 465.528 2.313 10 20 JECD CCN(CC)S(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 731049629 GVPLMLBEYVTFJQ-UHFFFAOYSA-N 451.637 2.337 10 20 JECD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)CC1 744907003 ZWAOXKMWDMXIGG-UHFFFAOYSA-N 451.571 2.127 10 20 JECD NC(=O)COc1ccccc1C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 757783452 PETIJJDRDYRWNT-UHFFFAOYSA-N 458.426 2.122 10 20 JECD CC(C)CC(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 825184140 YAYOCICMXRDRJH-SXGWCWSVSA-N 450.538 2.322 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CC2)cc1 915305907 WTCCXEWPDRWNGA-UHFFFAOYSA-N 475.615 2.279 10 20 JECD COCC(=O)NC1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 916076039 JFZHXOUGEDIWFJ-VBKFSLOCSA-N 467.638 2.483 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(OC[C@H]4CCCO4)c3)cc2)C1 918466048 XMJIGPWIZRRRGM-AUSIDOKSSA-N 480.565 2.201 10 20 JECD C[C@H](NC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)N1CCCCC1 918848845 YHCDFKHKPTXBHR-AWEZNQCLSA-N 493.472 2.044 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 919911522 VYOZYOLGGPJOCW-UHFFFAOYSA-N 458.584 2.129 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1781021287 LTKAURCCEQDIMX-QFIPXVFZSA-N 483.949 2.108 10 20 JECD NC(=O)c1ccccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781123031 NFSGUOOWMHDBAV-NTKDMRAZSA-N 487.940 2.291 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)[C@@H]1CCc2ccccc2C1 1781940091 BVAMLZZUSBSJMO-NYUJMHJJSA-N 465.550 2.425 10 20 JECD CC(C)N1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)CC1 1782004340 VOUUPNHGFCHEFY-QHCPKHFHSA-N 465.978 2.315 10 20 JECD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004520 ZCAHTSIMZYZXDS-HSZRJFAPSA-N 497.976 2.498 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)C2)C1 1783806330 DYUXMSIGJAJDLM-LOYIFYEOSA-N 472.545 2.413 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-c3cccnc3)cc1)CCO2 1785545512 YVQZFPCFDJTYRH-XMMPIXPASA-N 496.614 2.052 10 20 JECD Cc1ncsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1786095498 BBNXQOFWMFGCNE-RBOXIYTFSA-N 451.932 2.423 10 20 JECD COCCn1nccc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788427968 LFGXHCGKISVBPK-UHFFFAOYSA-N 451.483 2.397 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3S)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242532 VUFMKARHEODDHN-YLVFBTJISA-N 463.943 2.342 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(c4ccc(O)cc4)CC3)C[C@@H]21 1792217440 CNHMGKWTXSECQB-MJICWIMASA-N 494.544 2.234 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)ccc(O)c3F)C[C@@H]21 1792217612 BBTYKBOBHYCQHB-KHGQKRPUSA-N 490.459 2.094 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)CCCO4)C[C@@H]21 1792221114 CXDPYICLVUXLJF-OWNKRJDSSA-N 494.544 2.435 10 20 JECD COc1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cc1 1799766924 IDGUEWTWWNOGMK-USGNIVHTSA-N 476.913 2.042 10 20 JECD CC[C@H](C)[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S)c1ccccc1 1802104301 AIRUTEVWNKUKTC-ZGMMZYFLSA-N 489.663 2.266 10 20 JECD COc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cc(O)nc(O)c4)CC3)C2)cn1 1806778646 GFAOQIIQDKPPPJ-UHFFFAOYSA-N 454.527 2.374 10 20 JECD O=C(CCc1cncnc1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1807509022 QZRNXIBVJSVHNG-BQUVFFCOSA-N 489.532 2.340 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1cc[n+]([O-])cc1 1811197458 HRQKONZIXAVZST-UZLBHIALSA-N 468.897 2.413 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)cc1 1811264133 JTKGKXFJKRTEEW-YFNKSVMNSA-N 460.582 2.095 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccc2c(c1)CNC2=O 1819203429 BGAGMFGBDAMAJV-KRWDZBQOSA-N 462.466 2.079 10 20 JECD CN(C)c1cncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c1 1823496649 NVWVJYAGSQGRJY-INIZCTEOSA-N 487.611 2.037 10 20 JECD COC1(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)CCC1 1823501540 ULKYPQXWOHFWEW-AWEZNQCLSA-N 465.601 2.221 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccnc2)CC1 1827218216 RLDSPQJXXVFNGX-IBGZPJMESA-N 474.652 2.494 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3cnccc3n1)CC2 1828244318 AXBVNFXCVIAHHW-GFCCVEGCSA-N 498.615 2.172 10 20 JECD Cc1n[nH]c(C)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1829172521 SHPUEMPEQGSODU-INIZCTEOSA-N 463.629 2.120 10 20 JECD CCOC(=O)O[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1831139102 BCVRZMXJOBGGEI-ZBFHGGJFSA-N 485.628 2.028 10 20 JECD O=C(c1ccc2nccn2c1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902694 RDGPNLKIJITBFC-SFHVURJKSA-N 485.635 2.428 10 20 JECD COc1ccc([C@@H](C)C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1833236031 MLWBYWOXZRDIMX-QGZVFWFLSA-N 482.581 2.490 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(Cl)c1)CCO2 1838919104 UXQBVIAJQWAHHR-RUZDIDTESA-N 496.951 2.203 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3ccncc3Cl)C2)C1 1839433409 GNXMHFJRSMTWHQ-OAQYLSRUSA-N 482.320 2.183 10 20 JECD C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1839933333 LSQLWFFHRXRVAZ-NYYQPMLUSA-N 496.560 2.467 10 20 JECD Cc1ccc(NCCC(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)c(C)c1 1847056389 LUEXVSSCELWHSK-UHFFFAOYSA-N 460.625 2.169 10 20 JECD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc3c(c2)CCCN3C)o1 746814521 MXKZUVQTVSPHRQ-IBGZPJMESA-N 475.567 2.308 10 20 JECD COc1ccc(CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(OC)c1OC 918014714 OLJGTSZDJAETCT-SFHVURJKSA-N 456.543 2.414 10 20 JECD COc1cc(OC)c2cc(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)[nH]c2c1OC 918337042 CGFBUHWVVKBFPF-UHFFFAOYSA-N 473.551 2.359 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@]34CCC(=O)N3c3ccccc3S4)nc12 919037073 MWJWSRMYFDJTPE-NRFANRHFSA-N 454.464 2.284 10 20 JECD CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 919651807 PTNUTCGCGWIGIG-HNNXBMFYSA-N 484.530 2.005 10 20 JECD O=C(CCNC(=O)OCC(F)(F)F)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919991493 BLMQVKZQWYDKKO-UHFFFAOYSA-N 484.454 2.237 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3cccc(N4CCNC4=O)c3)cc2F)C[C@@H](C)O1 1317938463 CNGJXVAHQJGEPG-IAGOWNOFSA-N 484.528 2.442 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1O)C2 1783220340 XXRZCQISOOQKQI-DPTRUDLKSA-N 468.506 2.350 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(F)cc1F)CCO2 1785509854 AWOCMLVUWBRUOW-ZNSATWQLSA-N 474.460 2.167 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)CCc3ccc(O)nn3)CCC2)cc1 1792315779 BPNXHIKAXODKIA-UHFFFAOYSA-N 485.591 2.109 10 20 JECD O=C(Cc1ccc2c(c1)CCC2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1793844031 JAFCXEJBFOZUPP-IEMBSSLISA-N 486.572 2.100 10 20 JECD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)s1 1794040959 IKLWCVLPNCYNAL-WXDVAYEMSA-N 472.563 2.409 10 20 JECD Cc1cc(F)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796480624 AKXQCCRXPTUOCN-FEJSZKPUSA-N 464.497 2.130 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc2ccoc2c1 1799972200 RQEXEGZYUUQISP-OFZGJKQNSA-N 464.474 2.466 10 20 JECD Cc1ccn(CC(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1804628880 VRUNORIBRSEZSR-JSBPENQTSA-N 477.521 2.123 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnc(-c3ccccn3)nc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993936 RDWKPNDGZPEODZ-HXOBKFHXSA-N 497.515 2.373 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2c[nH]c3cnccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996196 NIDHJBYXTNSONW-QRQCRPRQSA-N 458.478 2.398 10 20 JECD Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(C(F)F)n1 1808844400 WWWLLVHCTPCYOR-DJJJIMSYSA-N 472.452 2.192 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810547368 YPKLYGNGDYJKFA-UHFFFAOYSA-N 462.547 2.251 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(Cl)cc2nn[nH]c12 1811436047 LUJZJRBIWGHHDU-LRTDBIEQSA-N 493.911 2.446 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)[C@@H]1c1cccnc1 1814166847 ULMILUFVSMUSGU-LWVORNDISA-N 467.522 2.344 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cccc3c2OCC3)[C@@H]1c1cccnc1 1814189037 JYGLOJHHNJCXDA-LAUBAEHRSA-N 496.614 2.196 10 20 JECD Cc1nccn1CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823500688 HENZIBJEHBHYLA-INIZCTEOSA-N 489.627 2.247 10 20 JECD CCO/C=C/C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1826464809 RRAXUYKKLRSQBR-VNDWYCCKSA-N 453.524 2.398 10 20 JECD Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)c(O)c1 1827568038 JSYHDNBXVHQZLJ-LLVKDONJSA-N 476.605 2.243 10 20 JECD Cn1ccc(=O)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1829641612 WHTIOFLSSFZXFP-HSZRJFAPSA-N 489.576 2.412 10 20 JECD Cc1c(F)ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1N 1834986948 MQPBHLUJFOTYTE-UHFFFAOYSA-N 471.533 2.022 10 20 JECD CC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837816976 JCTSMIGWRYGRTL-UHFFFAOYSA-N 462.497 2.433 10 20 JECD Cc1nnsc1C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838110537 VPHVHRDCIWCFFX-UHFFFAOYSA-N 496.593 2.252 10 20 JECD CCC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)n1cccc1 1840881034 ZNBKMHFUMUJHET-FZXRHXCJSA-N 499.564 2.116 10 20 JECD COc1cncc(CCC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1 1847034033 WGBSDVFGEROGDG-VMPITWQZSA-N 453.495 2.056 10 20 JECD COc1cc(Br)c(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1OC 727172648 KYEBCUWVZYYBBC-UHFFFAOYSA-N 459.318 2.473 10 20 JECD COc1ccc(N2CCN(C(=O)CNc3cccc(C(=O)N4CCC[C@@H](CO)C4)c3)CC2)cc1 728152670 JKJWJUJNZJYOHP-HXUWFJFHSA-N 466.582 2.300 10 20 JECD CN1CCCc2cc(CNC(=O)N3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)ccc21 746981044 IBXMKDYPMPVOHD-UHFFFAOYSA-N 473.555 2.193 10 20 JECD CN1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2Cl)CC1 750344795 PDDVSJTYMDBLPF-UHFFFAOYSA-N 489.979 2.322 10 20 JECD CCN1C(=O)C(=C(C)NCCCN2CCN(c3ccc(OC)cc3)CC2)C(=O)N(CC)C1=S 814399105 QYNLNXSZZPERHO-UHFFFAOYSA-N 473.643 2.066 10 20 JECD COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)c3cc(C)n(-c4ccccn4)c3C)C2=O)cc1 914908196 YAIONCYNJXIQLF-RUZDIDTESA-N 491.504 2.153 10 20 JECD CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2ccccc2N=Nc2ccc(O)cc2)CC1 917231287 OYBPJVONIJDTFD-UHFFFAOYSA-N 453.499 2.197 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 918309845 KEOGJKFNARHDFT-UHFFFAOYSA-N 472.611 2.331 10 20 JECD COC(=O)c1n[nH]c2ccc(NC(=O)/C=C\C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc12 920255061 PPLJGQOYMUJUFQ-KTKRTIGZSA-N 463.494 2.202 10 20 JECD CN(C)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1 1780730225 GQHFQIQGHVFWOO-GZKVFJCDSA-N 467.522 2.026 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4c(Cl)cccc34)C2)C1 1782219776 HPKALZAVSVOURU-COIATFDQSA-N 498.923 2.490 10 20 JECD CCCCCc1ncc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)s1 1782715923 UBGYZLGTFPMIMI-QFIPXVFZSA-N 460.556 2.439 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)C[C@@H]21)c1cc(O)nc(O)c1 1787292411 OYCZXZAFLOPPFP-HVRBKMHZSA-N 455.486 2.029 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@H]1ON=C(c2ccccc2)O1 1796934425 BVIFQVYYLDMQKJ-ALWXHMJKSA-N 487.516 2.152 10 20 JECD COc1cccnc1CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804283958 RFGNVKMXQKPACD-HKXQJBQNSA-N 467.522 2.491 10 20 JECD CCn1nc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1C 1807994585 IWDYEXKTUKZXCU-HRAATJIYSA-N 450.499 2.046 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807998760 FONBPJOWWAZSTB-AQOAWAETSA-N 455.559 2.185 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(-c2cccnc2)[nH]n1 1810899739 XBWVPQAWTBXWJJ-GAJHUEQPSA-N 485.504 2.306 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cn2c(F)cccc2n1 1812180811 PVYPMWFNUZKJOI-IVZQSRNASA-N 476.468 2.308 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ncccn2)[C@@H]1c1cccnc1 1814161551 AKLHDAQBOKSJFN-RSQDCTEOSA-N 461.478 2.021 10 20 JECD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cn1 1814162499 LJCYTYQJIFTKOH-NTPDFONASA-N 475.505 2.330 10 20 JECD CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1815167736 MXQYJDQLVODUBJ-XHDPSFHLSA-N 499.977 2.108 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1csnn1 1815362402 LFAFLNXOVPXETE-KRWDZBQOSA-N 464.511 2.360 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1cncnc1 1816508155 HZMGJKMVGPOYPE-IBGZPJMESA-N 458.482 2.299 10 20 JECD Cc1nnc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)s1 1817843940 JEOHJDWSQIOEDU-CQSZACIVSA-N 457.516 2.315 10 20 JECD CS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cc1 1817844526 BEDVASHSGKCDKC-SFHVURJKSA-N 499.549 2.168 10 20 JECD CC(=O)Nc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)ccn1 1817845255 IGCUFDSIEAGUDN-MRXNPFEDSA-N 465.470 2.189 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cnsn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818145953 OEFMCJBTKUHABK-KRWDZBQOSA-N 464.511 2.360 10 20 JECD CC[S@](=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1819263053 HSLGZSMCWJVXQF-WAUFSOIDSA-N 484.582 2.353 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCOC2=O)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821291346 MHTNOKDZLDTHOI-CQSZACIVSA-N 463.878 2.232 10 20 JECD C[C@H](Cn1cncn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476162 SDZHTAPCNLXUBO-HTFDGFGYSA-N 481.513 2.160 10 20 JECD CN(C)C(=O)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)c1 1827928989 KWHKNMGSHHYKIW-HNNXBMFYSA-N 481.534 2.191 10 20 JECD Cn1nc2c(c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c3cc(O)nc(O)c3)CC1)CCC2 1830983503 LOBVEKMYVXFUJB-LJQANCHMSA-N 453.543 2.262 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(N3CCC(NC(=O)C(=O)N(C)C)CC3)CC2)cc1 1834633908 NSBWTJKFRJGMHL-UHFFFAOYSA-N 479.625 2.368 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988401 NVNUZJFDPPWJDS-GHRIWEEISA-N 465.554 2.177 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)ncc1[N+](=O)[O-] 1838031616 VZHBJVALNSXAQD-UHFFFAOYSA-N 485.497 2.030 10 20 JECD COC(=O)N(CC(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)Cc1ccccc1 1846260760 CMMKVPLSGGDEIV-PKNBQFBNSA-N 495.532 2.289 10 20 JECD COC(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c([N+](=O)[O-])c1 1847039363 KGRHAPSPMXFNKR-VMPITWQZSA-N 497.460 2.029 10 20 JECD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 495273785 FPHISDYLQVJSIN-UHFFFAOYSA-N 487.603 2.496 10 20 JECD Cc1ccc(C(=O)OCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c(O)c1O 727003732 CQSHNHZZKMPIME-UHFFFAOYSA-N 495.454 2.365 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)c1ccc(N2CCOCC2)cc1 727617265 KOMOZFDYTIIUHT-CYBMUJFWSA-N 467.494 2.021 10 20 JECD CC1CCN(c2ccc(CNC(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)cc2)CC1 731016151 OJYWEYBITOUNLE-UHFFFAOYSA-N 472.611 2.337 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 748465931 KAVOLBOEVAKXQB-UHFFFAOYSA-N 456.518 2.096 10 20 JECD CN(C)c1ccc(CN(Cc2ccco2)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 914454530 CGNUCHLWJVXIEI-LJQANCHMSA-N 472.567 2.040 10 20 JECD CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC(=O)Nc1ccccc1OC 917001548 YQVXGVVDTFMQLE-UHFFFAOYSA-N 458.534 2.248 10 20 JECD CC(C)C[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 917832984 JQIVLZDINVLHEK-XXTHSBEZSA-N 480.609 2.370 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1 918936807 UJZULHWXJCVLCI-IYBDPMFKSA-N 493.557 2.284 10 20 JECD COCCOc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC 920926890 RDZUBOGMUSCZTO-QGZVFWFLSA-N 457.527 2.373 10 20 JECD CC(C)(C)N1CCN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1 1327322083 YLXAAWHDWOQQER-UYRXBGFRSA-N 490.651 2.149 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3cc(Cl)ccc13)C2)c1cc(O)nc(O)c1 1777848054 IJAWHAJAYQUADG-UZUQRXQVSA-N 485.928 2.464 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cncc(C(F)(F)F)c3)C2)C1 1779751539 VMHJNHCMVHXXOR-WYAMSBGYSA-N 493.438 2.374 10 20 JECD O=Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)s1 1782001497 MITGGDRSKMQEDW-HXUWFJFHSA-N 450.900 2.383 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc3cccnc3[nH]1)CCO2 1782005516 KZRLMUFODJMYGG-JOCHJYFZSA-N 456.886 2.385 10 20 JECD C[C@@H](Sc1cccs1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1788482623 NPXQNIPYOJGSPQ-VRKREXBASA-N 463.581 2.328 10 20 JECD CCCc1onc(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792219237 LOZDITJKSQADKT-OMOBONOLSA-N 485.537 2.359 10 20 JECD COc1cncc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796932495 FGTCCEPDALHCJZ-NUZGMZIFSA-N 475.549 2.454 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)/C=C/c3ccc(O)c(O)c3O)C4)c21 1799121581 HYBXEZFEAULNOV-NCSLWMNCSA-N 478.505 2.361 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(F)CCCC=C1F)C2 1802082423 KSVRWTVXUXSBKY-HALGKJSMSA-N 464.465 2.152 10 20 JECD CCOC(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2)OCC 1802596032 NLJPKRUPQMIBOE-GGPHIMKMSA-N 456.543 2.207 10 20 JECD CC(C)(C)NCC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1807094553 AQMNKIDEHMRPEP-CYFREDJKSA-N 476.581 2.268 10 20 JECD CC(C)OCC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808464002 HFNCFSOZTGNCIV-CYFREDJKSA-N 463.538 2.305 10 20 JECD C[C@H](Nc1nccs1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1817220769 LVFGHZJMCDMPSQ-ONGXEEELSA-N 460.541 2.132 10 20 JECD CC(C)c1nc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)no1 1817844179 SEXADEHGXCAGKT-CQSZACIVSA-N 455.475 2.271 10 20 JECD COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)n(C)n1 1832876064 AEBUCXIOACHHOJ-KOEDOTQGSA-N 484.553 2.492 10 20 JECD Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)n1 1832898200 FQFKHROULHTNRD-SFHVURJKSA-N 460.625 2.484 10 20 JECD Cc1csc(C(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)c1 1833567210 GPUFGLRENBAIMC-UHFFFAOYSA-N 480.681 2.102 10 20 JECD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)ccc1C 1838988054 QVUBCWKZGBSIGW-XMMPIXPASA-N 490.940 2.452 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCO2)C1 1846146783 JAGVMUQNCJACMD-UXHICEINSA-N 472.586 2.087 10 20 JECD O=C(c1cn2cc(F)ccc2n1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037579 OVYPEOCPASHZOA-XVNBXDOJSA-N 452.442 2.121 10 20 JECD O=C(c1cn2c(C(F)(F)F)cccc2n1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055014 ZVTOOEPYOSGVPA-UHFFFAOYSA-N 497.524 2.030 10 20 JECD O=C(c1cc(Cl)cc(Cl)n1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056271 YUEVTRPMZKAGIT-UHFFFAOYSA-N 459.380 2.066 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)CC2)cc1 742921671 XJPSAVBXLMXKBV-DEOSSOPVSA-N 486.638 2.177 10 20 JECD CN1CCCc2cc(CNC(=O)c3ccc4c(c3)S(=O)(=O)N(C[C@H]3CCCO3)C4=O)ccc21 746814257 JMACQBBBGURWER-LJQANCHMSA-N 469.563 2.323 10 20 JECD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1 747011233 NILHWIMLNUPHDL-UHFFFAOYSA-N 450.536 2.225 10 20 JECD C[C@@H](CN1CCOCC1)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 916054885 ZLSRJWSESXNSHM-ATTDUZETSA-N 484.441 2.487 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)cc2)C1 917834654 MJMQJUKJRUMZFE-IRXDYDNUSA-N 483.500 2.105 10 20 JECD COc1c(F)cc(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1S(N)(=O)=O 918139837 FYKFWJRVRQCMAQ-ZIAGYGMSSA-N 483.537 2.093 10 20 JECD COC(=O)Nc1cccc(NC(=O)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 918250761 WXRLPBCLOMIZJK-UHFFFAOYSA-N 469.542 2.141 10 20 JECD Cc1cc(C)c(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)c1 918370918 CSMJSOSKQYATJF-OAQYLSRUSA-N 486.638 2.298 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3cccnc3N3CCOCC3)cc2F)C[C@@H](C)O1 919020747 NRMVBELDSJPPKM-QZTJIDSGSA-N 486.544 2.144 10 20 JECD CC(C)CS(=O)(=O)CC(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 919333432 NMIFYCDYGMOZMG-AWEZNQCLSA-N 457.504 2.403 10 20 JECD COCCN1C(=O)/C(=C\Nc2cccc3c2C(=O)c2cccc(Cl)c2C3=O)C(=O)NC1=S 920974422 LBIPJSYEYWQGSA-RAXLEYEMSA-N 469.906 2.301 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(CCCOCC(F)(F)F)CC3)cc2)C1 921123420 TWOMQUZPJPQFMV-IBGZPJMESA-N 485.551 2.185 10 20 JECD C[C@@H](OC(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1317775698 RGOWUEIOAUWYGG-OAHLLOKOSA-N 488.500 2.117 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4occ(-c5cccnc5)c4[nH]3)C2)C1 1779970251 YKJNOJVDCMKARP-RUZDIDTESA-N 489.488 2.386 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)cc1 1781753774 QJGKRLDUHLYJFH-AREMUKBSSA-N 489.532 2.340 10 20 JECD CC(C)c1csc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)n1 1783245424 WCQIFZXPORRPEX-QVKFZJNVSA-N 496.680 2.254 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CCO2 1785510259 IXXRHSXKUSAMMQ-ITFSHRRLSA-N 464.518 2.450 10 20 JECD Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)oc2ccccc12 1785541206 XGEOGNFILFTOSR-JOCHJYFZSA-N 473.576 2.045 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 1794005992 WFZPLPJUBJYXQB-IRJINJETSA-N 492.536 2.102 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-c3ccccc3)n1)C2)c1cc(O)nc(O)c1 1796138227 ZEGSEFMEAYMGAB-FEJSZKPUSA-N 460.490 2.072 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796930786 BDFQQZRCDACCOZ-KRQVXIAISA-N 495.580 2.427 10 20 JECD COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)cc1NC(C)=O 1799323692 OQGXOPXHMDWDLS-BJWYYQGGSA-N 454.483 2.025 10 20 JECD CC(C)(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)cc1 1799607303 KYIAYRRTQYWDSR-UPHUGPLXSA-N 455.511 2.187 10 20 JECD COc1cc(CCC(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)ccn1 1810547417 OOUCEHSDVKJPGL-UHFFFAOYSA-N 454.527 2.374 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1cnc(O)[nH]1 1810951559 QKZPFQPEBTUNBY-YVEFUNNKSA-N 457.874 2.208 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1c1cccnc1 1814163417 AZZIOKGFHGWDLL-WQHHPMTRSA-N 453.495 2.097 10 20 JECD Cc1n[nH]cc1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814163825 NCBBEQDPOCXWBB-VJZFYYHCSA-N 463.494 2.263 10 20 JECD Cc1cnn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)c1 1815754925 CKDTVBCZCQITOT-OAHLLOKOSA-N 477.550 2.053 10 20 JECD C[C@H]1Oc2ccc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)cc2NC1=O 1816727417 UFWCYSWJYNOEFK-MFKMUULPSA-N 495.517 2.208 10 20 JECD O=C(CN1CCCCC1)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362675 TXGMRHHMHXIIJF-INIZCTEOSA-N 480.594 2.334 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(O)cn1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817362892 YADDXGFGENQQCD-ZDUSSCGKSA-N 476.518 2.262 10 20 JECD COc1ncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cc1F 1817843983 MCCZWFYFFQXAGR-HNNXBMFYSA-N 456.434 2.378 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CO)c(F)c2)[nH]n1)c1cc(O)nc(O)c1 1817848443 JWHHYTMLWFESRQ-KRWDZBQOSA-N 455.446 2.467 10 20 JECD COc1ncc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cc1C 1826210415 ZRFGXORBVYJFMD-SFHVURJKSA-N 490.651 2.492 10 20 JECD Cc1nn(C)c(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)c1F 1834029310 UEMPVHGMCJGTEU-UHFFFAOYSA-N 493.967 2.431 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)CCC1CCCC1)CCO2 1834673817 NWWKLUWFUFCVRX-CZNRWDAFSA-N 474.554 2.243 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cc(F)ccc1F 1836220840 HFPMAMMTDNQGIU-UHFFFAOYSA-N 460.481 2.270 10 20 JECD O=C(Cc1ccccc1)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1837707846 FFYUXIGGYMZENI-UHFFFAOYSA-N 475.636 2.088 10 20 JECD CC[C@@H](C)[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843330674 LSTDNPIWLUBTSC-UIFIKXQLSA-N 488.629 2.315 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441342 ZTAJXTMRMLXRAM-HSZRJFAPSA-N 471.561 2.039 10 20 JECD O=C(c1n[nH]c2ccc(F)cc12)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441729 NUNVOHNZIRNPKZ-UHFFFAOYSA-N 460.469 2.312 10 20 JECD Cc1c(Br)c(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)nn1C 1844809758 KVGZDUKOGVQNJL-UHFFFAOYSA-N 499.369 2.101 10 20 JECD CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846143960 IHBVJJDFSCIRDC-QOKNQOGYSA-N 472.542 2.098 10 20 JECD COc1ccc(N2CCCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 108430264 NCOFQDXRNMNVKP-UHFFFAOYSA-N 459.568 2.069 10 20 JECD CN(c1ccc(CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1)C1CCCCC1 743341515 MPDMECIQULOHKI-UHFFFAOYSA-N 457.619 2.142 10 20 JECD O=C(CNS(=O)(=O)c1ccc(Br)s1)NCc1ccc(N2CCOCC2)c(F)c1 749849063 TWXNWTPSVCLQCY-UHFFFAOYSA-N 492.392 2.081 10 20 JECD Nc1c(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)ccc2c1C(=O)c1ccccc1C2=O 757923931 CONKAGXCZWXLLO-UHFFFAOYSA-N 487.424 2.278 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccccc2S(C)(=O)=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 771419061 VGSZCYZBWKKTNJ-UHFFFAOYSA-N 490.559 2.185 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(=O)Nc1ccc(-n2nccn2)cc1 918275303 PYLPIEZCJAJNQM-UHFFFAOYSA-N 474.443 2.378 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1 918434823 UFMAQODQSDJBKX-UHFFFAOYSA-N 465.598 2.485 10 20 JECD CCN1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)c(C)c2)CC1 920194829 JHQMYBNNSVCZGT-UHFFFAOYSA-N 465.598 2.228 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3cc(OC)c(OC)cc3C(=O)N(C)C)CC2)cc1 920255253 CUHVRRUWAJPOHA-ZHACJKMWSA-N 496.564 2.258 10 20 JECD C[C@H](O)[C@@H](NC(=O)c1cc(Cl)ccc1F)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 920262941 IKPYJQOHOGDISY-LHSJRXKWSA-N 479.936 2.226 10 20 JECD Cc1nc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cs1 1778126225 MXSPWQMJWVJUKZ-PXDATVDWSA-N 495.605 2.301 10 20 JECD Cc1nscc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778126304 QLXBFISQXFWLOY-HYBUGGRVSA-N 481.578 2.372 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1779629753 AQLMWLXQWUTIMC-HSZRJFAPSA-N 483.912 2.294 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)cc1 1781754970 CZCWXOMOFNIPHF-XMMPIXPASA-N 480.594 2.448 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)C2)C1 1782968132 WCMUOBSDOQRUSA-OAQYLSRUSA-N 494.038 2.062 10 20 JECD CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)cn1 1785879810 MZOPPHBYAKGHOJ-HARLFGEKSA-N 475.549 2.030 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539171 WJOVRSLQUJTEHI-HARLFGEKSA-N 478.524 2.141 10 20 JECD Cc1ccc(-c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CN3C(=O)CSC3=S)C4)c[nH]2)cc1 1794291620 GLVJNMIXROUQBZ-OPMZPASUSA-N 498.630 2.054 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnc(C(F)F)c1 1794569481 JYWHIHZGAIVFHO-CLLJXQQHSA-N 454.524 2.131 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc(OCCCO)cc1 1798545837 MYPAEJPNOITZNQ-UPHUGPLXSA-N 490.940 2.029 10 20 JECD Cc1nc2ccncc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804333112 DWPZWXUVJOGXPR-MUJYYYPQSA-N 469.592 2.050 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(Cl)nc2n[nH]cc12 1807897058 OEAUARJHJVMITJ-ZUOKHONESA-N 493.911 2.446 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992209 MBUGZQGZYUDIIG-BFUOFWGJSA-N 453.411 2.022 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1noc2c1CCCC2 1808022914 ZHCVUFTWPPTNIU-NYHFZMIOSA-N 463.494 2.388 10 20 JECD Cc1ccoc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1808504228 IWFUXYDTXKYDNZ-YJBOKZPZSA-N 458.565 2.163 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811797770 WDESUOVISVDTCA-WAWZGNHOSA-N 474.945 2.381 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1812848800 CSPMAXDDGHRMPS-MCMOPUSBSA-N 499.527 2.117 10 20 JECD Cc1nn(C)cc1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162459 SFNRRVPBBJACCS-LFXIQIKPSA-N 477.521 2.273 10 20 JECD O=C(CCc1ccc(F)nc1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815837977 QHSCYFLHTYUFNS-OAHLLOKOSA-N 490.586 2.429 10 20 JECD CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362798 VZEOWANKGNBIGI-YRVVQQKDSA-N 468.583 2.221 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cc4ncsc4[nH]3)sc2C1 1820233422 UJYPRSIYXTVTEE-MRVPVSSYSA-N 492.633 2.167 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cccn(C(F)F)c3=O)sc2C1)c1cc(O)nc(O)c1 1820254117 QAEGADRITOFNTC-SNVBAGLBSA-N 477.449 2.046 10 20 JECD CN1CCC[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)C1 1822560040 UPASZSVRHXIHFL-WSQYCBKMSA-N 472.567 2.227 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822820090 XOUYMRHHRJFCPQ-CZUORRHYSA-N 488.595 2.125 10 20 JECD Cc1cccn2ncc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cc(O)nc(O)c3)CC4)c12 1824340658 ACVNXXNAFUUSTC-ZDUSSCGKSA-N 464.507 2.445 10 20 JECD COC(=O)CSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1824518019 BRLWFIIICXQGRV-IWHGQQBYSA-N 492.594 2.343 10 20 JECD CC(C)N(C)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1827252554 AVBDZRLOLALPHL-HNNXBMFYSA-N 468.583 2.188 10 20 JECD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)n(C)n1 1828195894 ZGZXELKVGXYLTP-GBVBUYCNSA-N 469.523 2.241 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3nnc(-c4ccccc4)o3)CC2)CC1)c1cc(O)nc(O)c1 1834987728 YHACLFHQZREDJM-UHFFFAOYSA-N 492.536 2.042 10 20 JECD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)n1cccc1 1835133834 CAQKAAFRJCAEMC-FQEVSTJZSA-N 490.608 2.414 10 20 JECD O=C(Cc1cc(F)cc(F)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1836123364 PAWNZGGKFDGHAX-QHCPKHFHSA-N 496.894 2.342 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cccc(F)c1F 1836316572 AWVLZTJJMPVPOB-UHFFFAOYSA-N 460.481 2.270 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348416 AEFWVFMDUGVNDK-SHQCIBLASA-N 496.608 2.079 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3nccnc3C(N)=O)C2)cc1 1844596476 ZICBTHGCYHOZHB-UHFFFAOYSA-N 458.522 2.114 10 20 JECD COC(=O)c1ccc(CC(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1846476964 YQIBBWFUBCZPTR-CSKARUKUSA-N 466.490 2.049 10 20 JECD O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCc1ccc(N2CCOCC2)cc1 108809057 OGTCNBUALARGFI-UHFFFAOYSA-N 487.500 2.407 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 725902855 VJPJXPNARWONDO-UHFFFAOYSA-N 482.356 2.124 10 20 JECD Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC1 728195945 UOKORXPURUHUCH-UHFFFAOYSA-N 471.535 2.440 10 20 JECD COc1cccc(N2CC[C@H](NC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)C2)c1 728220301 KLYJPDBXSWZTMH-UXHICEINSA-N 451.571 2.475 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N(C)Cc3nccn3CC(F)(F)F)CC2)cc1 729607336 OGILKFSUKKUMFN-UHFFFAOYSA-N 454.497 2.418 10 20 JECD CN(C)c1ccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)cc1F 746864740 WJPYFQRHGPNTHZ-SFHVURJKSA-N 469.966 2.395 10 20 JECD CN(C)c1ccc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)cc1F 746864855 YXZZTHCMUCIEMK-GOSISDBHSA-N 469.966 2.395 10 20 JECD O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)OCC(=O)c1ccc(O)c(O)c1 916600588 PLKBZYCPPBVXJF-UHFFFAOYSA-N 467.805 2.474 10 20 JECD O=C(CN1CCCN(C(=O)c2ccccc2F)CC1)NCc1ccc(N2CCOCC2)c(F)c1 917012538 KVUFVCVNZZMCBR-UHFFFAOYSA-N 472.536 2.266 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3cccc(CN4CCOCC4)c3)cc2)C1 918123642 ZTFWHONNQVZMJJ-QHCPKHFHSA-N 465.598 2.220 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(OCC(=O)N(C)C)cc3)cc2F)C[C@H](C)O1 918286494 IICGAUVFORKWPJ-IRXDYDNUSA-N 486.544 2.161 10 20 JECD CCc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1S(=O)(=O)N1CCOCC1 918371465 HJBXINYIJCDWRT-UHFFFAOYSA-N 459.568 2.359 10 20 JECD COc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc(OC)c1OC 918442686 QONHEXXTFVXFLF-UHFFFAOYSA-N 457.527 2.176 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)CC2)cc1 920256020 NBUWSZKDHXJDTG-YUQDSPFASA-N 482.625 2.397 10 20 JECD O=C(c1ccn2cncc2c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005363 AYGJIAXLIIPSCD-QFIPXVFZSA-N 456.886 2.156 10 20 JECD CCN1CCC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)CC1 1783300468 FPWZGQWWGNKVIV-YRHVXKOMSA-N 487.597 2.062 10 20 JECD COc1ccc(Cl)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1789668593 SBEBHTKLRMWLOZ-IWEFOYFVSA-N 461.902 2.062 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790246332 XRCPLVRVLMCGEY-PWDMQXDWSA-N 475.929 2.207 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792217627 BWQPBROLUAXTAO-XPMVEEBHSA-N 482.533 2.264 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C[C@@H]21 1792218139 YYUIKILGUOPMRG-CZTFFQIWSA-N 499.476 2.011 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3cn4ncccc4n3)CCC2)cc1 1792315228 RUYUCHYVBBYKBZ-UHFFFAOYSA-N 480.575 2.337 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ccoc13)C2)C1=NN(c2ccccc2)C(=O)C1 1796480649 DAWCUSCGUOZTIL-FEJSZKPUSA-N 472.501 2.429 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc2sccc2[nH]1 1797535290 OGHXNYYMOXFPMU-JOTXDYOYSA-N 469.519 2.263 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc3[C@H]1O)C2)c1cc(O)c(O)c(Cl)c1 1799767138 SAUVOVXWZKRKIF-VQMFYWGHSA-N 486.952 2.250 10 20 JECD C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1800369304 VEHVAVKCOVACGK-RXPSNABZSA-N 492.551 2.387 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1801281891 GHSDBOVVZRIDNG-MMKMLUHNSA-N 453.587 2.395 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1802864435 ZOLQALGPZRHVBZ-NBQZKYEYSA-N 485.541 2.121 10 20 JECD CN1CCCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1803166685 HYONWDGNURXTJT-RLGANHRTSA-N 480.565 2.402 10 20 JECD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)N1CSCSC1 1804285642 FDCHSAIQIQCOQE-DBFWIWGHSA-N 479.624 2.498 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)[C@H]1Cc2ccccc2O1 1804286177 NJPZKJOHKGDXJH-RDMZFHBCSA-N 450.491 2.459 10 20 JECD COc1cccnc1CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807993945 RHICFJLXAYIVEX-OSPHWJPCSA-N 477.521 2.244 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cccc2c[nH]nc12 1808065252 FYVHETMDCQHEPJ-IERDGZPVSA-N 494.602 2.138 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3nc4ncccn4n3)sc2C1)c1cc(O)c(O)c(Cl)c1 1818309369 UNICMTXGTQCBLU-JTQLQIEISA-N 485.913 2.185 10 20 JECD COc1ncccc1CCC(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1842047665 ZJZUUDCCWNLGJY-UHFFFAOYSA-N 461.522 2.019 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)CCc2ccc3c(c2)OCO3)C1 1842757478 MCULWUXAJUQEEW-WEVVVXLNSA-N 466.490 2.382 10 20 JECD C[C@@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)O1 1843331308 IPMLEJDZVXPLGQ-DUXKGJEZSA-N 486.613 2.476 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)CC2)cc1 742927315 NWPSJPFQLLSYRY-UHFFFAOYSA-N 481.018 2.151 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(C)c3C(=O)N3CCCC3)CC2)cc1 743433208 ZGKSOFINLBVOKN-UHFFFAOYSA-N 493.608 2.117 10 20 JECD COc1ccc(N2CCCN(C(=O)NCCN3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 744895802 VOGNMRAQRWSCOM-UHFFFAOYSA-N 461.607 2.470 10 20 JECD O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)NCc1ccc(N2CCSCC2)cc1 748463243 YURNRYYLIPHWDG-UHFFFAOYSA-N 468.627 2.173 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 912980833 YQLHLKMJUIAJTK-UHFFFAOYSA-N 494.016 2.297 10 20 JECD CN(C)c1nc(N)nc(COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1 913361734 QYDWJLGBOPKLCR-FMIVXFBMSA-N 464.598 2.306 10 20 JECD O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 916588104 IJBALYJZXLBDSM-UHFFFAOYSA-N 452.584 2.384 10 20 JECD CCn1c(SCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)nnc1N1CCOCC1 917198095 AJEUXORBDNNTOV-IAGOWNOFSA-N 492.621 2.296 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)cc2F)C[C@@H](C)O1 918139824 FJNKYYDCEJAFMH-IYBDPMFKSA-N 466.513 2.327 10 20 JECD CN(C)CCOc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 918442391 FRWWOPKMPZFRJL-UHFFFAOYSA-N 454.571 2.091 10 20 JECD CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1ccc(N2CCSCC2)cc1 918617917 QZVCGKXPTGWLIM-UHFFFAOYSA-N 458.609 2.451 10 20 JECD C[C@@H](NC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 920920272 KVSLRJRCOSAEJV-XXBNENTESA-N 451.571 2.138 10 20 JECD O=C(C[C@H]1CNc2ccccc2O1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1778931096 HLCMUNNHMMFKDR-UPCLLVRISA-N 487.940 2.458 10 20 JECD COc1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)ccc(F)c1F 1781045610 TWAGXEKOWHXIRR-WAIKUNEKSA-N 477.464 2.221 10 20 JECD CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)cc(C)n1 1787539423 CDLFCBYZVAPGDU-OEOAZWSVSA-N 489.576 2.339 10 20 JECD CC(C)(C)c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1795963543 DGWWINXPQOOPEX-FEJSZKPUSA-N 489.576 2.375 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(-c2cccnc2)cc1 1799431426 UUTZLTUUUGTRLS-JHDGKUDLSA-N 460.490 2.072 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc(F)nc1F 1802308456 MYOAOGDSAYPCEF-YJYMSZOUSA-N 455.421 2.194 10 20 JECD CCc1ccc(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)cn1 1808019853 QIDSPCJPZTZCHE-UHFFFAOYSA-N 460.625 2.349 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ncc1[N+](=O)[O-] 1808662578 LVRATDXBWINIIK-QVKFZJNVSA-N 478.465 2.133 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc2cccn2cn1 1809446810 OCHLALNSPYRLGI-AOMKIAJQSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccc(CO)o1 1810835208 WTOKQXVKQUOBLF-JPSNIWGYSA-N 479.489 2.317 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)n1ccnn1 1812398441 PSRUJAHXMMJYHB-MUKKUYKPSA-N 470.917 2.319 10 20 JECD Cc1ccc(C(=O)C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1812966644 PSIUBTZECJNURR-NQIIRXRSSA-N 496.614 2.139 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc3c[nH]nc3c2)[C@H]1c1cccnc1 1814189491 QSDREBXDRNQFPT-UWJYYQICSA-N 494.602 2.138 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)cco2)[nH]n1 1823475342 PAXSHHJKKIWRNI-BIENSFFJSA-N 466.450 2.499 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1csnn1)CC2 1828195559 QEMPOMYSUUFANK-LFKJVQOCSA-N 459.509 2.051 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)CCN2CCOC2=O)CC1 1828386796 SNYDAMRFAKYMNI-WSSFADSRSA-N 487.553 2.279 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898580 QEJATVIHJUKXOC-LPHOPBHVSA-N 489.667 2.362 10 20 JECD O=C1Nc2ccccc2/C1=C/C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838029768 IUAPKLWYDSAYBQ-HKWRFOASSA-N 492.532 2.141 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)C3CCCCC3)C2)C1 1839431731 JAXIPWGLLNDRCO-JOCHJYFZSA-N 452.935 2.402 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccoc4C3)C2)C1 1839432130 CXZGPUAILFDYNQ-GYCJOSAFSA-N 490.940 2.219 10 20 JECD COc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1F 1839435334 HJTGWBLNHNUBAR-HSZRJFAPSA-N 494.903 2.283 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ccoc4c3)C2)C1 1840881182 HNQHNYFYQKNYJN-JFAKYYBVSA-N 494.500 2.333 10 20 JECD O=C(c1ccnc(Br)c1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441639 KTQYBGHOLGIQMJ-UHFFFAOYSA-N 482.338 2.454 10 20 JECD CC(C)N1CCC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1848052376 XULGXKMAZURDEU-VXKWHMMOSA-N 451.571 2.102 10 20 JECD CN1CCCc2cc(CNC(=O)C(=O)N3C[C@@H](C(=O)N4CCCCC4)Oc4ccccc43)ccc21 747017942 ULIKCMLQAGMRME-DEOSSOPVSA-N 476.577 2.492 10 20 JECD CC(=O)N1CCCc2cc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)c(F)c3)ccc21 750346602 UUJVVFKNNAWMPI-UHFFFAOYSA-N 454.502 2.216 10 20 JECD O=C(NCCNS(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916293847 KAABRGRMIJALMP-UHFFFAOYSA-N 486.516 2.320 10 20 JECD O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)c1ccc(O)c(O)c1 916616660 JPTWDELBZGZZBK-CQSZACIVSA-N 469.899 2.248 10 20 JECD COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 917759426 RZUYBRQWHTYTCB-UHFFFAOYSA-N 462.524 2.169 10 20 JECD COc1cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1OCC(N)=O 918216062 NVCSPEQBNJTHOY-HOTGVXAUSA-N 474.533 2.311 10 20 JECD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 918311488 RVRUPAMOVJNGDQ-UHFFFAOYSA-N 488.610 2.149 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)cc2)C1 918463602 LHZWSUBAKBBBEF-QGZVFWFLSA-N 497.983 2.423 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)CC2)cc1 920255620 WKTHMQWIKCXYGD-KHPPLWFESA-N 494.567 2.460 10 20 JECD COCCN1C(=O)/C(=C\Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C(=O)NC1=S 920978689 DMMFGFYUWBWLFO-QINSGFPZSA-N 454.464 2.011 10 20 JECD C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)c1ccc(N2CCOCC2)cc1 921028282 WOFXKYKUAGUDGV-MRXNPFEDSA-N 464.613 2.080 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2)o1 1318242216 XASZSSSVAKIXFM-UHFFFAOYSA-N 484.581 2.090 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C13CC(C1)C3)C2)C1=NN(c2ccccc2)C(=O)C1 1778127753 YQVVKDQRSOSIKH-CMQHTNBLSA-N 450.539 2.093 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccncc1F 1778384883 MKMGSJXOGFIFQN-OFAFLBDBSA-N 471.485 2.178 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)C2)C1 1781610925 PMSWTEYIPASZIM-HXUWFJFHSA-N 469.391 2.408 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1782843207 ASXFSAYHBFAOKQ-FDDCHVKYSA-N 457.914 2.232 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1csc(C(F)(F)F)n1)CCO2 1785506669 CYDCUDKQAFHKBO-WLMDGNKMSA-N 499.467 2.436 10 20 JECD COc1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1792725900 GYZIWBUDIBDJLL-USGNIVHTSA-N 476.913 2.042 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1CCCCC1(F)F 1793489123 DXLJIDCQJIGSEF-ABOVEOFHSA-N 466.481 2.232 10 20 JECD COc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)cc(OC)c1OC 1793902152 CAMMHKZKNSXFFN-BJWYYQGGSA-N 471.510 2.013 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cccc2nc[nH]c12 1796145127 COAZBPFGNMRWQC-IVWMJMPLSA-N 456.886 2.145 10 20 JECD Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c(C(F)(F)F)c1 1797158451 ALNYHIPFLIZAHP-ZSBIGDGJSA-N 474.530 2.156 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)c(O)cc1O)C2)c1cc(O)c(O)c(Cl)c1 1799769194 RKTSSANGWIOXMN-XGISUXEOSA-N 483.304 2.333 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1Cl)C2)c1cc(O)c(O)c(Cl)c1 1799769215 CUJOLCHYQUBBSI-DPIQGUFMSA-N 452.294 2.317 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1802573437 FLAWJFMATIMGEK-NRSFXHEJSA-N 474.558 2.392 10 20 JECD Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1806667009 NKCBJWYIIFDSAQ-FDDCHVKYSA-N 498.630 2.335 10 20 JECD O=C(CCC(F)(F)F)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1806834031 ILEFVDFGPKTXFD-CXAGYDPISA-N 474.530 2.290 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cccc2[nH]ncc12 1808039108 APGZPKBQEXJSPQ-VFNWGFHPSA-N 494.602 2.138 10 20 JECD O=C(Cc1cc([N+](=O)[O-])ccc1F)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816721023 DLKRODKMJANNCO-GFCCVEGCSA-N 487.469 2.465 10 20 JECD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)C1 1817843393 LJDUEFPWFKOAGK-IOASZLSFSA-N 457.487 2.111 10 20 JECD Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)n1 1832618267 GKCXXPYHIWMNET-XMMPIXPASA-N 489.956 2.157 10 20 JECD O=C(c1ccc2ccnn2c1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899455 IQUSMHFNRBIETE-IBGZPJMESA-N 485.635 2.428 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1839434139 QHNTYYWJMCDXJH-HXUWFJFHSA-N 487.843 2.061 10 20 JECD O=C(c1nnsc1C1CC1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441652 NOIOCNOWYVAQEV-UHFFFAOYSA-N 450.524 2.025 10 20 JECD Cc1cc(C(=O)CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)c(C)n1-c1cccc(Br)c1 16573928 ZDWDLIZBMJJJJD-KRWDZBQOSA-N 496.383 2.394 10 20 JECD C[C@@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)S(=O)(=O)c1ccc(F)cc1 729177831 FDXIRECYHQOTEU-FUHWJXTLSA-N 461.559 2.396 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)cc1 742917246 VDLFNYDATVZHNQ-UHFFFAOYSA-N 486.638 2.422 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1F 747010388 BAZOVYKTKFSVBB-UHFFFAOYSA-N 456.927 2.050 10 20 JECD CC[C@]1(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1=O 778964510 WVAKCZWKXWOKFD-SHZVTRLKSA-N 477.473 2.053 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(C(=O)c4ccccc4O)CC3)CC2)cc1 916196593 NJHWHSUXCXAWSQ-UHFFFAOYSA-N 481.597 2.081 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2)cc1 916234005 TYQUXRANHZUNDM-UHFFFAOYSA-N 465.598 2.421 10 20 JECD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 916674088 NNOCMOGDBKTXIM-UHFFFAOYSA-N 479.578 2.300 10 20 JECD CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 917381115 VTMUVXHZFNVNCL-UHFFFAOYSA-N 457.474 2.380 10 20 JECD COc1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1S(=O)(=O)NC(C)C 917834884 SLMVMZYNWQGPKZ-LJQANCHMSA-N 488.610 2.014 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCNS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)C1 918373327 WBLSFSMBJJDMEH-QFIPXVFZSA-N 498.649 2.252 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cc(N4CCCC4=O)ccc3Cl)cc2)C1 918465416 MBGWVMCBNAOUPQ-KRWDZBQOSA-N 497.983 2.423 10 20 JECD CCNC(=O)CN(C)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 918638879 VTFRCBRSMHZPRX-JYRVWZFOSA-N 456.387 2.245 10 20 JECD Cc1c(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cccc1C(=O)N1CCOCC1 919795306 NVERESPKOHCMBI-UHFFFAOYSA-N 450.539 2.323 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCOCC2)cc1 920925175 HZUPYNIZLWAYST-SFHVURJKSA-N 486.594 2.124 10 20 JECD Cc1cc(C)n2ncc(C(=O)OCC(=O)c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)c2n1 1321600748 DNVKRWNPMCXQAY-UHFFFAOYSA-N 481.534 2.441 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)ccc3F)C2)C1 1780485777 FIYYZYOJBVHMPR-XMMPIXPASA-N 468.460 2.201 10 20 JECD O=C(c1ccn2ccnc2c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005534 MASSLJVQXGXOSS-JOCHJYFZSA-N 456.886 2.156 10 20 JECD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1ccc(Cl)cc1 1783797842 JWQZJQVJNGBSNC-IKICRFKJSA-N 496.054 2.284 10 20 JECD COc1ccc([C@@H](C)C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785503593 MDPFNEMXBSGZIZ-AOPFQJFWSA-N 482.533 2.459 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(Cl)cn1)CCO2 1785507350 OAPKIPXVBZVFFK-AOQYBADCSA-N 459.886 2.009 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)CCc1ccc3c(c1)OCO3)CCO2 1785508330 FKMXBMXCOUTOKL-GAAFDJBNSA-N 496.516 2.008 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(F)CCCC=C1F)CCO2 1785511843 VTBHNXJWSBPXEU-VOFCSJSRSA-N 464.465 2.392 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ccnn4c3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790246021 DPSLTRDGJPOUBZ-VHFSOBRXSA-N 470.913 2.306 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccc(F)cc2)CC1 1793791811 HUWSPYFOZJTQEC-DCZUYWFCSA-N 482.508 2.277 10 20 JECD CO[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1)c1ccccc1 1799770760 CZBWAVCVMYTJHF-NNNWTRQLSA-N 460.914 2.342 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc2cccnc2cc1F 1800038205 FNAKMPLNVUEAAF-BJWYYQGGSA-N 486.594 2.415 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)(Cl)Cl 1800584927 IEZXDCNYHFIXRC-BZBKMWRSSA-N 458.125 2.325 10 20 JECD O=C1CSC(=S)N1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccccc3F)CC1)C2 1804340612 WUTRIOIJLFFWRW-QDMKHBRRSA-N 461.584 2.356 10 20 JECD Cc1cccc(CC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1806568806 WJODSUHRQNBBBD-AUSIDOKSSA-N 482.631 2.499 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)CC1 1807786942 NMLTYUNOHSGWAZ-UHFFFAOYSA-N 479.603 2.131 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2n[nH]cc2c1 1808010840 CAPKTPZRLBOSTE-KSFYIVLOSA-N 458.478 2.398 10 20 JECD CC[S@](=O)CCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1810126152 ZJHCFNLTWDDQOM-GFHCEOJBSA-N 487.578 2.076 10 20 JECD COc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(O)c1OC 1811452461 QVEQRVWYUMRHAW-VFNWGFHPSA-N 494.504 2.244 10 20 JECD CC(C)CNC(=O)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811804381 VZXBQCHDQJFWGA-DNVCBOLYSA-N 474.945 2.238 10 20 JECD CSCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814186088 WXESYRIGZIXJTA-QAPCUYQASA-N 480.681 2.337 10 20 JECD CCOc1ncccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1814339084 NEARHCYFARIUMJ-HNNXBMFYSA-N 488.595 2.370 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccn3ccnc3c1)CC2)c1cc(O)nc(O)c1 1816725417 KCOMLWOUUMGLQL-ZDUSSCGKSA-N 450.480 2.137 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2c[nH]nc2c1 1816795937 MRSMHSNFMKBARF-ZDUSSCGKSA-N 450.480 2.365 10 20 JECD CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)C(=O)c1ccccc1 1817842510 CYNXMDSLVYECDS-GOSISDBHSA-N 478.509 2.294 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)CCN2CCCCC2)[nH]n1 1823497228 SJVLDPZQUYAQRK-MRXNPFEDSA-N 478.644 2.138 10 20 JECD O=C(O)c1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)ncn1 1825506576 RYSROPYRKCUSTA-WSSFADSRSA-N 496.520 2.238 10 20 JECD Cc1ccnc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1 1827760385 LVJNGDKFMRIACQ-SFHVURJKSA-N 460.625 2.484 10 20 JECD COCC1(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)CC1 1828195236 JIIJTZHOWBCYBV-MXPWBENCSA-N 459.524 2.312 10 20 JECD Cc1noc(C)c1CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837185176 CJWQENNNGQQFTD-UHFFFAOYSA-N 472.542 2.343 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cccc4ccnn34)CC2)CC1 1838030374 TUHFCFPLRKLIDG-UHFFFAOYSA-N 465.510 2.067 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031822 PIFYUUCNCHCTDP-QGZVFWFLSA-N 468.554 2.379 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3cnccc3Cl)CC2)CC1 1838440649 HBVHLXOTZDEFGQ-UHFFFAOYSA-N 497.042 2.208 10 20 JECD O=Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)s1 1839434180 SGGDVQTYHHGSES-NRFANRHFSA-N 480.926 2.009 10 20 JECD COc1c(Br)cccc1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250640 VMNIWMLASHAMFL-UHFFFAOYSA-N 462.300 2.395 10 20 JECD Cn1ncc2cc(C(=O)N3CC4(CCCN4C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)ccc21 1843441553 HWKLZELOCNXPGU-UHFFFAOYSA-N 456.506 2.183 10 20 JECD COc1cccc(OC)c1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1844875859 MINXBIISFOZAOW-CSKARUKUSA-N 454.479 2.351 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncn(-c2cccc(F)c2)n1 1848309678 CZVXJEVKTMVBFD-KEEVIKFDSA-N 479.468 2.052 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(NC(=O)C4CC4)nc3)cc2F)C[C@@H](C)O1 731406528 NNASBSDWQALAKY-GASCZTMLSA-N 469.517 2.438 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)CC2)cc1 742921245 SBQLDOXBNUJQGZ-QFIPXVFZSA-N 492.576 2.022 10 20 JECD O=C(CNC(=O)CC1CCCC1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 751358076 DZEZGRCMJJHTTP-UHFFFAOYSA-N 454.550 2.255 10 20 JECD COc1c([N+](=O)[O-])cc(N2CCN(CC(=O)N3CCCCC3)CC2)c([N+](=O)[O-])c1Br 836190015 VHKAEIJQAXVCQO-UHFFFAOYSA-N 486.323 2.409 10 20 JECD Cc1cc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c(C)n1-c1ccc(F)cc1 914761845 FOJGNFYLOXBWGO-ROUUACIJSA-N 478.590 2.345 10 20 JECD COc1ccc(N2CCN(CC(=O)NCCN3C(=O)S/C(=C/c4cccnc4)C3=O)CC2)cc1 916144140 KOUBCIZIIUVMQT-RCCKNPSSSA-N 481.578 2.065 10 20 JECD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2F)C[C@@H](C)O1 917918851 UGLITUKJZKPZRU-HZPDHXFCSA-N 485.603 2.168 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cccc(NC(=O)NC4CC4)c3)CC2)cc1 917981936 DMXJECZWJOTJOI-UHFFFAOYSA-N 452.511 2.485 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCN3CCN(c4ccccc4)CC3)cc2)C1 918117186 IHHMKBNLALMZFO-JOCHJYFZSA-N 464.614 2.010 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)N3CCN([C@@H](C(N)=O)c4ccccc4)CC3)cc2F)C[C@@H](C)O1 918199593 JEOGNXJZVBJMOB-KHCICDEESA-N 483.588 2.493 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1 918287354 QEZPTIKDGYKPLX-HUUCEWRRSA-N 463.531 2.098 10 20 JECD O=C(COC(=O)Cc1cc(F)cc2c1OCOC2)NCc1ccc(N2CCOCC2)c(F)c1 919021859 BKFBFCLLTMQXQC-UHFFFAOYSA-N 462.449 2.070 10 20 JECD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCSCC2)cc1 920343171 YBDKSGFWYHBQSO-UHFFFAOYSA-N 464.569 2.133 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2)c1cc(O)nc(O)c1 1777852266 MZUYXMUPRLDDGO-FQRUVTKNSA-N 494.548 2.283 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753020 ZCIDSWWIQUTQQW-ZEQKJWHPSA-N 466.582 2.452 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)CCc1cccc([N+](=O)[O-])c1)CCO2 1785503825 RRJPWDCPCWEHLK-QLUGYHCRSA-N 497.504 2.188 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3cc[nH]c3c1)CCO2 1785505235 DUKAMWPGSCTTCB-BFHGXFJZSA-N 463.490 2.442 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(F)(F)F)CCO2 1785508770 LQCKBUIOOKTNJC-WYAMSBGYSA-N 493.438 2.374 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc(Br)cs1 1787544189 RTAIKEHJTACZIL-BPNCWPANSA-N 482.356 2.224 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc2nccnc2c1 1788031069 MFMRWTMYYJFWAU-WFUMMYSLSA-N 490.516 2.053 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS[C@@H]3CCCCO3)C[C@@H]21 1792218205 LQHDTLMGHUWKAZ-YWMJBOPLSA-N 492.594 2.056 10 20 JECD CCc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)s1 1797962037 KVOMYSHDMXDDBG-DRXBFXEBSA-N 451.932 2.287 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occc2c1O 1801052981 UDRUHRIOJBZFFB-CLLJXQQHSA-N 459.549 2.251 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)CC1 1803906720 HFHZEVFHEXGKFZ-DSZJKHHPSA-N 482.537 2.187 10 20 JECD N[C@H](C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccccn1 1807172547 KFDAWFQLFYYLGS-SCOLINQZSA-N 489.532 2.013 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3nonc3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995762 ILKBTBKDDVSJBZ-QVKFZJNVSA-N 460.450 2.057 10 20 JECD Cc1noc(N)c1C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1809736170 UAAMOQFPAYPUKJ-UHFFFAOYSA-N 464.526 2.203 10 20 JECD Cc1nc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cs1 1814185901 ICTFBPFISVZDJM-KBXCAEBGSA-N 475.621 2.026 10 20 JECD C[C@@H]1Oc2ccc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)cc2NC1=O 1816727416 UFWCYSWJYNOEFK-GXFFZTMASA-N 495.517 2.208 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cccnn3c1)CC2)c1cc(O)nc(O)c1 1816728638 JYPKJUSSPJPJOT-CYBMUJFWSA-N 450.480 2.137 10 20 JECD O=C(Cn1cccn1)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1817631155 QPAWCROAFQPJMG-IQIBNGDESA-N 452.471 2.129 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccc2nc[nH]c12 1817855351 WWRLLYQJWNPRGS-OAHLLOKOSA-N 483.579 2.452 10 20 JECD Cc1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1818341543 VGTLKDHYCRDRMF-OAHLLOKOSA-N 458.569 2.279 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cccc(F)c3)sc2C1 1822048986 OJWZKTRTINXRLE-LBPRGKRZSA-N 464.569 2.368 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccn3ccnc3c2)[nH]n1 1823499985 IVCSSTWHTQFIJS-OAHLLOKOSA-N 483.579 2.224 10 20 JECD Cc1nocc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1826049309 IXVFRBOMKOPCAL-MRXNPFEDSA-N 450.586 2.077 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)CCN2CCOCC2)CC1 1826748908 RUOBAHADSHXGRI-XMMPIXPASA-N 495.624 2.121 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnn3cccnc13)CC2 1828198791 JTPLJHCELPFIQQ-LPZVBRGNSA-N 492.517 2.242 10 20 JECD O=C(CCN1CCOC1=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876387 KVYWVOKBIHIXHP-WSSFADSRSA-N 487.553 2.279 10 20 JECD COc1nn(C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876499 HQFXJTQEFXIMTL-XSBJJCPUSA-N 484.553 2.492 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1ncccc1F 1836023641 SGZNCVHNTAOFQY-UHFFFAOYSA-N 492.555 2.199 10 20 JECD CC[C@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348636 ZUUDHHYVFBKDRR-JYFHCDHNSA-N 468.598 2.162 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1839433239 AVCJTMSIGUCUBN-HSZRJFAPSA-N 486.912 2.011 10 20 JECD CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1 1840881394 SDGQDEDXTNMBSA-QTOANSKZSA-N 482.533 2.149 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@](F)(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)C1 1843250908 BLPAVPMPWFGDHU-HSZRJFAPSA-N 478.521 2.049 10 20 JECD O=C(c1cccc(F)c1[N+](=O)[O-])N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442729 ZGQCIFUIKCPIDQ-UHFFFAOYSA-N 465.441 2.344 10 20 JECD C[C@@H](C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[S@@](=O)c1ccccc1 1845776414 GLWSVDHNFROASC-USXNREEHSA-N 478.574 2.179 10 20 JECD Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 726431107 MVRZBSMEIMLZCI-UHFFFAOYSA-N 456.272 2.154 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCNC(=O)c2ccc(Br)cc2)c1 726623697 KCDVXGJDXMOTFQ-UHFFFAOYSA-N 470.345 2.076 10 20 JECD CC1(C(=O)OCC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CCOCC1 726839927 WEEJNKFNDKJVHZ-GZTJUZNOSA-N 492.575 2.093 10 20 JECD O=S1(=O)CCN(c2ccc(CNS(=O)(=O)c3ccc(F)cc3Br)cc2)CC1 726976454 LCVAXRDJHRPOBG-UHFFFAOYSA-N 477.377 2.302 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CSc3nnc(CN4CCCC4=O)o3)cc2F)C[C@@H](C)O1 917165747 ZKYNZCARCRNMIQ-HUUCEWRRSA-N 477.562 2.353 10 20 JECD CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1Cl 917710046 ZQBCITMGXFNDBA-UHFFFAOYSA-N 455.939 2.496 10 20 JECD CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)ccc21 917834458 YLNPATYVLDXICF-FQEVSTJZSA-N 470.595 2.031 10 20 JECD CN1C(=O)c2ccc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)cc2C1=O 917911660 HZOPJKLBSSJRMX-UHFFFAOYSA-N 483.468 2.246 10 20 JECD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 918442945 YOMYZKIZVGBCHB-UHFFFAOYSA-N 475.549 2.115 10 20 JECD CC1(C)Oc2ccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2O1 918465807 SQSDXKCRWDZWKW-INIZCTEOSA-N 452.511 2.151 10 20 JECD Cc1ccn2c(=O)c(C(=O)OCC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cnc2c1 919152651 PHGHJEZRHFPQKY-CALCHBBNSA-N 482.512 2.229 10 20 JECD Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c(OCC(=O)N(C)C)c1 920193240 ZRGKRUQUWCWGQA-UHFFFAOYSA-N 470.595 2.270 10 20 JECD C[C@@H]1CCCN(C(=O)CCNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 1346270528 CPWDBECSZVOMQV-LJQANCHMSA-N 483.592 2.390 10 20 JECD COC(=O)Nc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c1 1780833225 JMHQKYGBXQFQNZ-HOYKHHGWSA-N 484.509 2.112 10 20 JECD CCOC(=O)O[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781122899 ADURDZJXPRBFPG-NYFKNOIKSA-N 484.933 2.440 10 20 JECD O=C(c1ccc2ncncc2c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005611 RCCBNXZTXMLYAB-QHCPKHFHSA-N 468.897 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-c3ccccc3)nc1)CCO2 1785540946 MYPNDRUAOVFGCG-XMMPIXPASA-N 496.614 2.052 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4ccnc34)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245012 MCBNQPQGZPKXFH-AXHNFQJDSA-N 470.913 2.306 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)Cc3cnccn3)CCC2)cc1 1792314492 DQPBULDYVSZRPD-UHFFFAOYSA-N 455.565 2.014 10 20 JECD CC[S@](=O)CCC(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792315123 FUXJYOVHASYJLZ-PMERELPUSA-N 467.638 2.140 10 20 JECD CC[C@@H](C)[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1ccccc1 1795180647 SZFIWSWORKPNRK-PSSCGGISSA-N 489.663 2.266 10 20 JECD Cc1scc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1C 1796481339 QYPQRVLBRZKQLJ-FAQVEIGNSA-N 466.563 2.361 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc2ccoc2cn1 1799881250 IIDVWEXIBCPUDM-HBCWATKFSA-N 457.870 2.409 10 20 JECD C/C(=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2)C(=O)O 1802016847 KIGQOPHEGXQXRD-DUYZRWARSA-N 451.523 2.328 10 20 JECD Cc1cc(C)n(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)n1 1802783916 MDRFIMLELJQSOJ-QGZGNFAASA-N 454.527 2.358 10 20 JECD Cn1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)c1=O 1803835986 SHSGVXRHNOFUQM-QRWLVFNGSA-N 482.924 2.478 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(-n3cnnc3)cc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992584 CXJBOVIJDACCND-FDDCHVKYSA-N 485.504 2.102 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3nonc3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995764 ILKBTBKDDVSJBZ-YCRPNKLZSA-N 460.450 2.057 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1812848802 CSPMAXDDGHRMPS-UMBREFOOSA-N 499.527 2.117 10 20 JECD Cc1nc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)no1 1815874268 KDSVERZXNMRLHR-PMGBHYCQSA-N 468.470 2.166 10 20 JECD Cc1cnc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)s1 1816286251 GYIQCZPGVFJOFV-GFCCVEGCSA-N 464.598 2.341 10 20 JECD O=C(CCc1cncnc1)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362660 STCIZRYXJBPSJZ-INIZCTEOSA-N 489.561 2.271 10 20 JECD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817846980 GFHXZHDTIYJEQJ-UWKDKTGGSA-N 480.481 2.292 10 20 JECD NC(=O)c1ccccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428369 WMZUDXUARPLTBX-IBGZPJMESA-N 452.511 2.139 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3[nH]cnc3-c3cccnc3)CC2)CC1 1838029890 NCAKVVBEUYSCBG-UHFFFAOYSA-N 492.536 2.204 10 20 JECD O=C(Cn1cnc2ccccc21)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031707 GEHUZTXFVDMAJN-UHFFFAOYSA-N 479.537 2.155 10 20 JECD O=C(CCCn1cccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433027 HVBFVZCDKBSCGZ-HSZRJFAPSA-N 477.945 2.103 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1839434107 NNKIYCCUUVVWIL-QHCPKHFHSA-N 486.912 2.011 10 20 JECD CC(C)N1CCC(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CC1 1841871827 ZJDPTBUCUFXJOQ-UHFFFAOYSA-N 451.571 2.103 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)C2(c3cccc(Cl)c3)CC2)C1 1843817012 KQGNAQJOUMHBRD-UHFFFAOYSA-N 464.012 2.435 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1846193305 SDAWQSBZWJVGHO-ZEEWYNHDSA-N 499.564 2.420 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846949359 USMNCNVBTULZFY-IAGOWNOFSA-N 474.558 2.393 10 20 JECD CCCNC(=O)CNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 916161820 PFJZJZYFTFGYIH-MDWZMJQESA-N 456.387 2.293 10 20 JECD CC(=O)N1c2ccc(S(=O)(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2C[C@H]1C 917930361 QYKYTFSDPFJCSS-VQIMIIECSA-N 470.595 2.164 10 20 JECD CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 918616096 SGVJJYFPJVONGO-MRXNPFEDSA-N 463.522 2.220 10 20 JECD Cc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1NS(C)(=O)=O 919730392 XZQSYHBDQSJUAV-UHFFFAOYSA-N 467.613 2.298 10 20 JECD COCCNS(=O)(=O)c1ccc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 920867266 RMDZVQOGGCJNLN-GOSISDBHSA-N 476.599 2.008 10 20 JECD COc1ccc(N/C=C2/C(=O)NC(=S)N(CC(C)C)C2=O)cc1S(=O)(=O)N1CCCCC1 920978077 TYEGAOQMPKYQMA-VBKFSLOCSA-N 480.612 2.065 10 20 JECD COc1nc(C)ccc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007023 GUOOUGOAFLWVQE-QFIPXVFZSA-N 461.902 2.221 10 20 JECD Cc1ccc2[nH]cc(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)c2c1 1787290259 NEJBOLBXNBQYPS-ZRCAFCQKSA-N 464.522 2.119 10 20 JECD Cc1cnn(CC(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)c1 1788290028 CGGCKWURSKIOIF-UHFFFAOYSA-N 457.581 2.186 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1cccc(F)c1F 1789636912 QOIOZAMDLHCCGV-XERREHJYSA-N 482.487 2.351 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@H]1CC(c2ccccc2)=NO1 1793281100 XZRWDWKZRVLIFH-VAKZPMALSA-N 485.924 2.148 10 20 JECD Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(C(F)F)n1 1797193745 VWELUDOKCYTXET-JDGWPXKUSA-N 462.453 2.440 10 20 JECD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)C1 1802254299 JWDYXJAMYGNEIW-AJGRXUDCSA-N 480.565 2.397 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)CC1 1803906730 HFHZEVFHEXGKFZ-RPLGYBLPSA-N 482.537 2.187 10 20 JECD O=C(/C=C/c1ccoc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1804324950 SEXDRRBDBXLODD-WDWGHXHXSA-N 470.576 2.254 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3ccc(F)nc3F)C2)CC1 1804684592 JJKRDGOUUSEQSY-UHFFFAOYSA-N 468.551 2.065 10 20 JECD CC(C)(C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808463761 FXUSTPWMPSCHIF-YFXJRYMSSA-N 477.565 2.287 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c(C)n1C 1811237719 DXAYYMFHRHIYAJ-LAUBAEHRSA-N 485.635 2.217 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cncc(O)c1 1812914950 PKRVDBNHEMYDAJ-GEROHTISSA-N 476.489 2.332 10 20 JECD COCCCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814161902 MXCKCWMAMNHVOH-BSIOYPLDSA-N 455.511 2.344 10 20 JECD Cc1ncccc1CCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814185384 QJAZNVVFWJPXJC-XXBNENTESA-N 497.646 2.284 10 20 JECD CNCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146725 ZKHVHXZSNZKKJM-IBGZPJMESA-N 451.531 2.194 10 20 JECD C[C@@H](Cn1cncn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1819539741 HEQVOHLRHLMSBC-OXJNMPFZSA-N 489.540 2.123 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCS2(=O)=O)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821294617 MLGLTRIPUYFEMH-ZBFHGGJFSA-N 482.946 2.357 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccoc3Cl)sc2C1 1821819452 BUXMTEMAERLFKX-MRVPVSSYSA-N 470.985 2.476 10 20 JECD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccccn1 1822903108 FQJQYFMGUAPRSZ-XJKSGUPXSA-N 472.596 2.461 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)[nH]n1 1823476638 KSUPVWWHWDCOSE-YERXGYGTSA-N 497.468 2.037 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCC=CO3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132695 DWEPHFXWEAVJCS-QHCPKHFHSA-N 479.581 2.044 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)nc4ccccc34)C2)C1 1836418377 QULQPRVADNBYGR-DEOSSOPVSA-N 498.923 2.078 10 20 JECD CC[C@@H](C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836886859 MIVKBLRSTDMLTJ-HOYKHHGWSA-N 484.597 2.185 10 20 JECD O=C(c1cc2sccn2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434202 UMBWDJDOHVDDSV-JOCHJYFZSA-N 491.953 2.449 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cc(=O)c3ccccc3o2)C1 1841213172 CPGRCNRUCKMNGT-UHFFFAOYSA-N 470.485 2.403 10 20 JECD O=C(c1ncc(OC(F)F)cc1Cl)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249147 BQVNBLDFFZKZMS-UHFFFAOYSA-N 454.817 2.273 10 20 JECD COC(=O)C12CCC(C(=O)N3CC4(CCCN4C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)(CC1)CC2 1843441684 LXWURUGVYQOTAN-UHFFFAOYSA-N 492.576 2.496 10 20 JECD O=C(c1cnc(Cl)c(Cl)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056357 LLIMEEUKOYPHNT-UHFFFAOYSA-N 459.380 2.066 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cc(F)c(F)cc3F)CC2)cc1 729784554 QWILQXMPUSJKBM-UHFFFAOYSA-N 450.461 2.380 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)cc1F 731408535 OZIVEXSDECZMFR-UHFFFAOYSA-N 466.535 2.109 10 20 JECD CCCN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@H]1CCS(=O)(=O)C1 822018694 JWNQALXYPRVFMR-ZDUSSCGKSA-N 456.476 2.410 10 20 JECD Cc1cc(C)c2c(N)c(C(=O)OCC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)sc2n1 856689685 WVDFBAWXKSRMJE-UHFFFAOYSA-N 482.562 2.441 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)cc2F)C[C@@H](C)O1 917710504 JJZHAEODBHMYDU-ZDXGUKGBSA-N 480.540 2.449 10 20 JECD COCCOc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1C 917930220 NAXHQYVGEUDMGI-LJQANCHMSA-N 461.584 2.200 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(C(=O)N4CCOCC4)c3)cc2)C1 918038591 SOCKEMQMMDZGRL-FQEVSTJZSA-N 465.554 2.182 10 20 JECD COCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918141405 WJZLDFFPKQDCHY-IRXDYDNUSA-N 479.574 2.294 10 20 JECD CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 919778491 DAFKUQOHQJZQFP-LJQANCHMSA-N 489.642 2.176 10 20 JECD Cn1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c(C(F)(F)F)c1 1777848414 TYTJDGKOEOUWDD-IIBYNOLFSA-N 482.459 2.291 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(c3cccc(F)c3)CC1)C2)c1cc(O)nc(O)c1 1777849482 WTKQJAHBDYOLHG-NTKDMRAZSA-N 469.513 2.491 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cn4ccsc4n3)C2)C1 1778631055 KNWMJEPOELOWBD-FQEVSTJZSA-N 462.915 2.218 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)cc1 1778832655 GXTCDDCMWUZCOI-VMAVNYORSA-N 476.577 2.372 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1[nH]nc3ccncc13)C2)c1cc(O)c(O)c(Cl)c1 1781122839 UJIXCIWQYYGRFD-WZONZLPQSA-N 485.928 2.464 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)n2cncn2)CCO3)cc1 1781754998 DDCYGVPOMGMAMA-NLFFAJNJSA-N 462.554 2.390 10 20 JECD CC(C)Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)n(C)n1 1782002242 SXTUAUDKJWJTGF-HSZRJFAPSA-N 476.961 2.441 10 20 JECD O=C(c1cnn(-c2cccnc2)c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004879 OUZIPTZIRMRHIC-QHCPKHFHSA-N 483.912 2.089 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1783267743 KJLZYYVZCIHVFX-WVMJFEGXSA-N 465.717 2.017 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)Cc1noc3ccccc13)CCO2 1785509463 PYPZJBSQWDNRQA-UVXPNCNTSA-N 479.489 2.030 10 20 JECD CC(C)(C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccn1 1785510575 QOWWZJIBTCLSHP-PMDNVAFQSA-N 467.522 2.019 10 20 JECD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2)N1CSCSC1 1798523861 FPJAVMKMPDTHMI-DKKFBQAASA-N 487.651 2.461 10 20 JECD CCOc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)c1O 1799768423 XYOOIRHJVISYMT-HBCWATKFSA-N 476.913 2.373 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cc(F)ccc3n1)C2)c1cc(O)c(O)c(Cl)c1 1799769142 BIMFCBNWJOLQMR-DBWKPXFBSA-N 474.876 2.055 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccc(=O)oc1 1806121096 IHVHZFRQJFTTNL-OBPZGGEISA-N 477.473 2.185 10 20 JECD CO/C=C(\C)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808468585 UTVAMRXJDONZOU-DUJJYPJESA-N 461.522 2.431 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc(O)c(F)c2)[C@@H]1c1cccnc1 1814190012 OEMZDXDSGCXDFP-MGPUTAFESA-N 488.566 2.106 10 20 JECD CC(C)c1nc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)no1 1815817431 NPCLSQPUPLKCHO-ZDUSSCGKSA-N 491.599 2.011 10 20 JECD Cn1nccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1816481315 WJYIZFLMJPXUSE-PMGBHYCQSA-N 452.471 2.279 10 20 JECD CN(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)C(=O)OC(C)(C)C 1817028162 YQSZOSWNHXGBBP-HNNXBMFYSA-N 474.518 2.389 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848726 ZNCMQRAMJXGYBC-HNNXBMFYSA-N 474.518 2.437 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cnc4ccccc4n3)sc2C1 1817960415 REQKBMJGBWWXOW-LLVKDONJSA-N 498.615 2.172 10 20 JECD O=C(c1ccc(O)nn1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714484 BOHVUONHNYARAW-OAQYLSRUSA-N 476.537 2.208 10 20 JECD C/C(=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)C(=O)O 1827717639 RCFXAFFPAFQBJN-SBCUQWKCSA-N 466.538 2.430 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877484 OCZCBWTZDRVMLK-IQAMCKQTSA-N 473.570 2.303 10 20 JECD O=C([C@@H]1C[C@@]1(F)Cl)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899859 KVDAWPYRXSIURL-NJSLBKSFSA-N 462.012 2.391 10 20 JECD Cc1cc(F)ccc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988400 NTLOLPIKCZCOHL-UHFFFAOYSA-N 456.518 2.439 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838029929 RNBQPQDCKZUVIH-UHFFFAOYSA-N 497.474 2.171 10 20 JECD O=C(Cc1ccc2c(c1)CCO2)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039405 LFHVAQAZVFTIFV-QPJJXVBHSA-N 450.491 2.198 10 20 JECD CC(C)(C)OC(=O)CCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(c2ccccc2)C(=O)C1 1847588251 AGILNQDTRWQKOZ-PMACEKPBSA-N 468.554 2.493 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(F)cc1Cl 1848019390 ARYSPOHKVNBIRI-GJZGRUSLSA-N 455.964 2.084 10 20 JECD CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(C(=O)O)c2)cc1 728015915 ZIQKIBSURDLGQY-UHFFFAOYSA-N 469.541 2.039 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(NCCO)cc3)cc2F)C[C@@H](C)O1 728325946 HDCIHDASQKRCHZ-CALCHBBNSA-N 459.518 2.317 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 730616634 XYLIIMJNJIILEK-JOCHJYFZSA-N 487.622 2.496 10 20 JECD O=C(COC(=O)c1ccoc1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 825302602 AACADZFPEIQOTM-PXNMLYILSA-N 460.489 2.183 10 20 JECD CC(=O)N1CCN(c2ccc(CNC(=O)c3nnn(CCOc4ccc(F)cc4)c3C)cc2)CC1 857494538 QUDOBLBOHMBSPI-UHFFFAOYSA-N 480.544 2.403 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NCCC(=O)N1CCOCC1 914608075 XLXQKCWPDPHKRJ-RVDMUPIBSA-N 498.424 2.015 10 20 JECD COc1ccc(C(=O)N2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)c(OC)c1 917835798 JQRLHNJTHRVDNM-UHFFFAOYSA-N 454.571 2.186 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC(CC(=O)N4CCCC4)CC3)cc2)C1 918123001 PLRPADJNFVRTPB-OAQYLSRUSA-N 455.603 2.322 10 20 JECD CCCNC(=O)CN1CCC(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 918212480 NAXASUWPXVDXSY-QZTJIDSGSA-N 463.598 2.229 10 20 JECD COc1ccc([C@H]2CCCN2C(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1OC 920637338 FPQMPVPHHYZGHK-QGZVFWFLSA-N 478.523 2.301 10 20 JECD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 920923552 XYTVIOAQWSUXFL-HNNXBMFYSA-N 472.517 2.015 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1782002157 ROGLACPSOZBXNS-QMHKHESXSA-N 457.914 2.404 10 20 JECD Nc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)sc2nccnc12 1782002679 VCRCYHGVJFIIIG-OAQYLSRUSA-N 489.941 2.095 10 20 JECD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007226 DYTBOUZFXCXDLP-JOCHJYFZSA-N 493.875 2.485 10 20 JECD COc1cc(F)ccc1CC(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1785659718 CWHKKOYNWOGYQX-CIFMFNLYSA-N 486.496 2.037 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cccc(F)c1F 1789638183 BNAULFCDGMOPGJ-XYTPNCCPSA-N 474.460 2.388 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cc(Br)c1)C2)c1cc(O)nc(O)c1 1796140311 KJWXXOXRZRCTSS-IVWMJMPLSA-N 496.745 2.426 10 20 JECD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)ccc1O 1799703328 DJGRZKFQNUFUAQ-YKMDKHMNSA-N 454.479 2.483 10 20 JECD CC(=O)CCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1806395096 IPNOXQRSPZUKDH-FYNYVBPPSA-N 453.495 2.287 10 20 JECD Cc1ncoc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808468579 UPWZKHPLEWQQFG-PGRDOPGGSA-N 472.505 2.491 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810851 XCORJSDGFGRERJ-QKKBWIMNSA-N 499.911 2.040 10 20 JECD Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814185506 CFNJGWNIEJCTAK-JPYJTQIMSA-N 498.630 2.335 10 20 JECD CNc1nsnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1814431669 MZWHVRLDGUMNFZ-MRXNPFEDSA-N 493.553 2.402 10 20 JECD CC(=O)N[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)C(C)(C)C 1817843422 NAMHRZWXVVEUEB-KXBFYZLASA-N 458.519 2.073 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818145948 NKLUZUDARRPNCU-HXUWFJFHSA-N 473.493 2.142 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc(Cl)n2)[nH]n1 1823500163 TXRNHSTZWMHITO-LBPRGKRZSA-N 479.975 2.019 10 20 JECD Cc1nc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)c(=O)[nH]c1C 1825449005 QDGFIOKORLSKRJ-XSBJJCPUSA-N 496.564 2.450 10 20 JECD Cn1nccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715985 YDNMZFDHZFEWMF-NRFANRHFSA-N 462.554 2.446 10 20 JECD O=C(COc1cccnn1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717635 QUODJKHFYHPWMG-QFIPXVFZSA-N 490.564 2.268 10 20 JECD Cc1nc(C)c(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)s1 1828239904 JZGBAYALCYDEEJ-SNVBAGLBSA-N 481.650 2.303 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832875478 NIYNCAKFHNFJHQ-VGKNGNLDSA-N 473.570 2.351 10 20 JECD Cc1nc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)no1 1832877063 SVUOXINMKJUKKM-IWHGQQBYSA-N 470.526 2.370 10 20 JECD NC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)c1ccccc1 1832898303 JQHDUKVEYUEDDD-VQTJNVASSA-N 488.679 2.209 10 20 JECD COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1OC 1836275576 SBOSPZOOJNWEPK-UHFFFAOYSA-N 484.553 2.009 10 20 JECD CC(=O)NCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)CC1 1836530221 DRENYKTVCOBTKH-UHFFFAOYSA-N 479.625 2.415 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)COc2cccc3ccccc23)C1 1841882514 UKSXJPDQZCTLKQ-UHFFFAOYSA-N 469.588 2.282 10 20 JECD COC(=O)c1ccc(CC(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cc1 1843442201 GBPWJWGMZWUOMP-UHFFFAOYSA-N 474.517 2.012 10 20 JECD CCN(C(=O)[C@@H](C)OC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)[C@@H]1CCS(=O)(=O)C1 728637117 IENLIISUWDODKU-IEBWSBKVSA-N 464.584 2.485 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)O[C@H]1CCS(=O)(=O)C1 747347072 ZEQLMDVRKWRHJI-BPLGCGBFSA-N 476.395 2.381 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H]2CCCCN2c2ncccn2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 914665158 LNAVMJHTUJEEGV-OAQYLSRUSA-N 497.577 2.317 10 20 JECD CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 918314711 SHAUMALEGIIWJT-UHFFFAOYSA-N 450.499 2.236 10 20 JECD CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 919779744 XJAOBDZWAFWEJL-QGZVFWFLSA-N 460.600 2.364 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCCN3CCc4ccccc4C3)CC2)cc1 920254332 KJTIYSLNIOITPA-VAWYXSNFSA-N 462.594 2.465 10 20 JECD COc1ccc(NC(=O)c2nnc(COC(=O)c3cc(NS(C)(=O)=O)ccc3O)s2)cc1 920637045 XQAWSLDYMUMAHN-UHFFFAOYSA-N 478.508 2.233 10 20 JECD CS(=O)(=O)NCc1ccc(NC(=O)C2=C3CCCC3=S=C2NC(=O)c2ccco2)cc1 1628443077 UGLSXFJEGIILGW-UHFFFAOYSA-N 459.549 2.227 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cn1 1778126831 KCXIRNCFHSNJIQ-QFQXNSOFSA-N 491.548 2.011 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3occc3c1)C2 1783248174 OKVRYHXIVGVUQE-WZONZLPQSA-N 487.603 2.421 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)Cc1noc3ccccc13)CCO2 1785509465 PYPZJBSQWDNRQA-VQEXNLMWSA-N 479.489 2.030 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)cc1)CCO2 1785510331 WCYUKNYCQDTOMM-SDFSIIPZSA-N 490.516 2.146 10 20 JECD Cc1cccc2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)[nH]c12 1787292329 RFJAFSNAYRDYFQ-IEZWGBDMSA-N 450.495 2.190 10 20 JECD Cc1csc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1 1802079188 WWKGJSPVDKJPPE-XIIZVUFOSA-N 472.563 2.409 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1cc2cccnc2nc1O 1804289825 WDLVNXWJWCVKBT-BJKLQHCMSA-N 476.489 2.417 10 20 JECD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c(F)c(OC)c1F 1804335711 GEQIPXUPUZWORK-ZSBIGDGJSA-N 499.561 2.094 10 20 JECD Cc1nc(C)c(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1805546423 JEHCHGNNHNEZDE-YJBOKZPZSA-N 489.648 2.335 10 20 JECD CC(=O)Nc1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1807995257 FWALXDNMSBLLPV-KBMIEXCESA-N 489.532 2.409 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccn(C(F)F)c2=O)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995535 QWIPMPHIFPZLRR-LIRRHRJNSA-N 485.447 2.078 10 20 JECD O=C(Cc1ccccc1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1813815590 GADDUPXXSCZRMF-CYBMUJFWSA-N 460.606 2.158 10 20 JECD CO[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2)c1ccccc1 1814364597 FWDPYLDROXZGBB-ACJLOTCBSA-N 490.632 2.303 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818145947 NKLUZUDARRPNCU-FQEVSTJZSA-N 473.493 2.142 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccnc4ncccc34)sc2C1)c1cc(O)nc(O)c1 1824090958 FMTHZWLWAFUFPJ-GFCCVEGCSA-N 462.491 2.432 10 20 JECD O=C(CC1(O)CCC1)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1827334229 CQLRDVYKDMRDDJ-AWEZNQCLSA-N 467.551 2.153 10 20 JECD N[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)c1cccnc1 1827426372 RQGMMFNLGIUROX-VQTJNVASSA-N 453.543 2.211 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)CCC1CCC1)CC2 1828242068 FMKSBTZAOWZNIL-LBPRGKRZSA-N 452.627 2.496 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3c[nH]c4ncccc34)CC2)CC1 1838031425 DEFSVOMEFJDULS-UHFFFAOYSA-N 465.510 2.295 10 20 JECD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)ccc1C 1839433669 OQGMHXGIHODHAG-XMMPIXPASA-N 490.940 2.452 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)CS(=O)(=O)N2CCCC2)C3)cc1 1845398513 XBGYDMYSFRRERX-UHFFFAOYSA-N 484.622 2.337 10 20 JECD O=C(COC(=O)CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 10054560 NXKKGOUWXLLSOU-UHFFFAOYSA-N 489.484 2.198 10 20 JECD Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c(O)c1O 727005269 MHQVHDQHBAAKCY-LLVKDONJSA-N 456.904 2.494 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cc1 742910246 CSLPAOZTZYOTNX-UHFFFAOYSA-N 486.638 2.034 10 20 JECD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cnn(C)c3)cc2)cc1[N+](=O)[O-] 917719658 KDJQTGVJNKHAHP-UHFFFAOYSA-N 451.486 2.238 10 20 JECD O=C(COC(=O)c1cccc(NC(=O)NC2CC2)c1)NCc1ccc(N2CCOCC2)c(F)c1 917982373 KWGCFJXVTIKQCI-UHFFFAOYSA-N 470.501 2.419 10 20 JECD CCOC(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1Cl 918466314 ZJPUWDFIKBPPNG-INIZCTEOSA-N 486.956 2.473 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 919767794 XVSLGODVSKGBPZ-UHFFFAOYSA-N 458.565 2.065 10 20 JECD COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 919813970 WKSUZMXKTHZARV-IBGZPJMESA-N 481.958 2.089 10 20 JECD COc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)cc1 920869171 OKXOPQIEUKBFCL-IBGZPJMESA-N 488.610 2.309 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)nc4ccccc34)C2)C1 1777804811 ROIIRFQBBFFPTP-HSZRJFAPSA-N 468.897 2.452 10 20 JECD COc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc(OC)c1C 1777851783 RZIQMFRBYBEVDE-CJFMBICVSA-N 485.537 2.260 10 20 JECD C[C@]1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)CC1(F)F 1778127163 CQAOVYHZVACTLY-SXSPYAJSSA-N 474.508 2.339 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1782005739 YGISOIQAOKOQNT-QFIPXVFZSA-N 456.886 2.156 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cc(F)cc(F)c1F)CCO2 1785511177 CILVPVRMYWPIJP-ZGVNINRLSA-N 478.423 2.378 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1ccc3occ(Cl)c3c1)CCO2 1785545327 PEMHBFAEPDQHKH-OAQYLSRUSA-N 493.994 2.390 10 20 JECD COc1cc(C)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1 1789996375 SVYBPZVZOLDLJM-OEOAZWSVSA-N 490.560 2.390 10 20 JECD CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 1790126864 PMGGOHFCGLVCOD-PMVMPFDFSA-N 497.665 2.171 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)cncc3F)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243803 MKKAHWXQFXQOEE-ZMNCSTGQSA-N 467.856 2.332 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3occc3c1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479749 PIJZXIKADQJCMS-NHKMSHSESA-N 472.501 2.429 10 20 JECD Cn1nccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796749181 BDXDDYWSECNJBV-PLACYPQZSA-N 496.612 2.390 10 20 JECD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)ccc1F 1801712070 MHGMPZCYZIYNAG-HBCWATKFSA-N 464.877 2.416 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1c[nH]c2cnccc12 1810066102 DRQSJBCFDMQZLW-QVKFZJNVSA-N 494.602 2.138 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)ncn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811796809 LLMWSRTZZPBKOG-YJYMSZOUSA-N 469.885 2.275 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811805895 FWVRIKUYAINTOC-YVEFUNNKSA-N 457.874 2.208 10 20 JECD O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816725407 JGKPDPSUONUNQZ-OAHLLOKOSA-N 493.545 2.221 10 20 JECD CCOC(=O)c1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)ccn1 1820300125 LOGVRGHQBKSLFH-QGZVFWFLSA-N 480.481 2.407 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1822876999 AIQQNOXXSZXFFK-CQSZACIVSA-N 481.534 2.431 10 20 JECD CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)n[nH]1 1823500065 MAUIGJDCNODPBE-OAHLLOKOSA-N 475.600 2.422 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccn2)CC1 1827224180 FXSSFDBHXRKAHP-SFHVURJKSA-N 460.625 2.104 10 20 JECD O=C(c1ccc(O)cc1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901163 QHZDCEMPCHEBEM-GOSISDBHSA-N 461.609 2.486 10 20 JECD Cc1ccc(CCC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cn1 1837153052 HRQYKFNMTLLEBM-UHFFFAOYSA-N 468.554 2.441 10 20 JECD O=C(CCc1cccc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432971 CMADNCRJCOORDW-DEOSSOPVSA-N 490.940 2.160 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)[C@H]2ON=C(c3ccccc3)O2)C1 1844198524 OCVZKBTXTOQBEN-OAQYLSRUSA-N 457.870 2.303 10 20 JECD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1845397901 DAQGEZCHUNMNHR-IBGZPJMESA-N 472.611 2.239 10 20 JECD COC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1847314230 HDLWFLOQRSCHIV-SQNIBIBYSA-N 491.585 2.160 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(CN4CCOC4=O)c3)CC2)cc1 726726465 RJINDKQSGUWQGM-UHFFFAOYSA-N 452.511 2.371 10 20 JECD NC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)o1 726960418 ADBUNEWVGNSDRV-UHFFFAOYSA-N 455.492 2.490 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc4c(c3)nnn4C)cc2F)C[C@@H](C)O1 729732875 UZDMJUYMGWNOQE-HUUCEWRRSA-N 455.490 2.194 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1-n1nnnc1C 731132080 ZGYAWWQNYYTZQC-UHFFFAOYSA-N 463.542 2.471 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)N(C)C(C)C)cc3)CC2)cc1 811847956 KXLDFJZCHDNOTF-UHFFFAOYSA-N 489.594 2.230 10 20 JECD CN(C)c1nc(N)nc(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 913361737 QYDWJLGBOPKLCR-XFXZXTDPSA-N 464.598 2.306 10 20 JECD CCNC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 918436832 GIGSAMVKOBHJPM-UHFFFAOYSA-N 456.568 2.010 10 20 JECD CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1OC 918463654 MSTGVDWBGNTKAO-KRWDZBQOSA-N 454.527 2.051 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CCN(c2cnccn2)CC1 919762131 UVYWZLJRQGEKBG-UHFFFAOYSA-N 476.560 2.265 10 20 JECD C[C@H]1CCCN(C(=O)Cn2c(=CC(=O)C3CC3)sc(=Cc3ccc(N4CCCC4)cc3)c2=O)C1 1317946856 XOPVELKXTRCHFW-IBGZPJMESA-N 479.646 2.357 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)ccn1 1778127387 JMBHZXPZCLJZJL-ATIYNZHBSA-N 475.549 2.310 10 20 JECD C[C@@H]1CCc2c(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)n[nH]c21 1782005382 BWUBZLNHADKCKC-VERVWZFWSA-N 460.918 2.281 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4ccnn4c3)C2)C1 1782404752 IGQDQYXWXWKJIR-QFIPXVFZSA-N 456.886 2.156 10 20 JECD CC(C)[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1)c1ccc(F)cc1 1783736885 GEDBRNYGHZXDNE-NZQKXSOJSA-N 493.626 2.256 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)C1 1785552445 KLKHESYPVKLXDC-FVGJVVOLSA-N 495.488 2.268 10 20 JECD Nc1n[nH]c(CCC(=O)NC2(c3ccc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)cc3)CCC2)n1 1788673939 QPDPYTKTQKHYDV-UHFFFAOYSA-N 486.536 2.247 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cc(-c2ccccn2)[nH]n1 1788946640 BQRAUEAZLCVAIG-YHQOMNDMSA-N 497.939 2.443 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1793333818 IYOKRQKEMQVPKF-FLXSYLCISA-N 474.558 2.438 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(F)F 1795559411 VCFHXMBXZMGNGE-FZKCQIBNSA-N 483.512 2.437 10 20 JECD CC1=CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CC1 1797128299 JKCLSDVESMLIEP-XWQURZDVSA-N 450.539 2.115 10 20 JECD COC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1803689905 WSNUAWZSSMHGOZ-AWXYDUOHSA-N 455.511 2.200 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cc2ccc(Cl)cc2nn1 1804333909 ZHUXOILGZVGTBM-QDMKHBRRSA-N 490.010 2.395 10 20 JECD COc1ncccc1CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804544216 UWUXBZLKKYYNMD-FDDCHVKYSA-N 477.521 2.244 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cncc3cnccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995629 SMRGJFYQGSTIJR-HJPURHCSSA-N 470.489 2.464 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1807998236 BJJFIMABXYHQJR-HOYKHHGWSA-N 499.531 2.410 10 20 JECD COc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccc1O 1811942711 LNPPDGYMGNHRHA-KSFYIVLOSA-N 464.478 2.235 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCO3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1815794488 HDBFJKCWQIIBTO-CXAGYDPISA-N 453.524 2.027 10 20 JECD CC(=O)C[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367420 ZMUBBPFQLQQPLW-ZFWWWQNUSA-N 467.551 2.463 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3nnsc3C3CC3)sc2C1)c1cc(O)nc(O)c1 1817706482 KCGUYYAAINZTLF-JTQLQIEISA-N 458.525 2.218 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCCC3)[nH]n1)c1cc(O)nc(O)c1 1817846432 XIWDINBSIIURRN-KRWDZBQOSA-N 451.487 2.368 10 20 JECD O=C(CCN1Cc2ccccc2C1=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1818717301 XJLVVCPQQVKFRR-HNNXBMFYSA-N 493.545 2.221 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccc2c(c1)CNC2=O 1819203430 BGAGMFGBDAMAJV-QGZVFWFLSA-N 462.466 2.079 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC3)cc1 1823438215 FVVDAKRJFRXTEE-MJGOQNOKSA-N 494.621 2.369 10 20 JECD Cc1cnn(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)c1 1823475557 WZSNXNHPMVRCIF-JKNJVXJCSA-N 466.498 2.437 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1823794916 UFSAWHFAMBVDDF-XHNDXGPJSA-N 473.570 2.351 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832875090 KFKPUPZWCSKEBN-MXFAVLBMSA-N 473.570 2.351 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899140 AHGORVMLFVRNQX-SJLPKXTDSA-N 490.651 2.329 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(N2CCC(NC(=O)C(F)(F)C(F)F)CC2)CC1 1833647433 KKYBZIPYZBTSOU-UHFFFAOYSA-N 497.493 2.251 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1nc2ccccn2n1 1834969880 YZZHAZSGQGTEPU-UHFFFAOYSA-N 498.971 2.293 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C[C@H]3OCCc4ccccc43)CC2)CC1)c1cc(O)nc(O)c1 1834985907 PCAJBRRPWHYCAG-HSZRJFAPSA-N 494.592 2.382 10 20 JECD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)ccn1 1835915950 UDPVIPQWMJBUBO-UHFFFAOYSA-N 488.592 2.368 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1839433051 IUYUPYXYIMAHEG-HSZRJFAPSA-N 486.912 2.011 10 20 JECD CCn1nccc1C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1842518168 XKCODGQEMQTSJS-HXUWFJFHSA-N 496.612 2.438 10 20 JECD C[C@H](OC(=O)CNC(=O)Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 726819457 ITPMESJUUFGXFY-HNNXBMFYSA-N 486.480 2.397 10 20 JECD COc1ccc(-n2cnnc2SCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cn1 728788732 SCERBZOZIZMDQP-UHFFFAOYSA-N 458.519 2.055 10 20 JECD Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1C(N)=O 729057868 NREPCZBKYLWEQX-UHFFFAOYSA-N 464.444 2.204 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)cc2F)C[C@H](C)O1 917916789 CDXRYFDBFUORME-HOTGVXAUSA-N 497.614 2.359 10 20 JECD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)cc2F)C[C@@H](C)O1 917916790 CDXRYFDBFUORME-HZPDHXFCSA-N 497.614 2.359 10 20 JECD Cc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)cc1 918121807 IASWRLAGFDHIRK-QFIPXVFZSA-N 463.582 2.364 10 20 JECD CCS(=O)(=O)NC1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 918219220 HEKTWBSOKCQVCY-HZPDHXFCSA-N 456.584 2.053 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H](C)NC(=O)c3ccccc3)cc2F)C[C@H](C)O1 918791221 IQGIWFSDPYNRNK-BZSNNMDCSA-N 471.529 2.417 10 20 JECD COc1cccc([C@@H](CNC=C2C(=O)NC(=S)NC2=O)c2c[nH]c3ccccc23)c1OC 920979982 PMLMRZIGQSTZRZ-OAHLLOKOSA-N 450.520 2.321 10 20 JECD COc1ccc(CCC(=O)N2CCN(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2)cc1 921061722 ODPSUDQACJUMPN-UHFFFAOYSA-N 480.609 2.129 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccc(F)n1 1779674017 JCHUSDRCPRUDIU-KLTBXSLDSA-N 471.485 2.178 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008667 FXGDMRLBWNHRMT-IQMFZBJNSA-N 459.930 2.469 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccnc(C(F)(F)F)c1)CCO2 1785508459 FWEUUQQLLRJQBV-YSNSILARSA-N 493.438 2.374 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cc(Cl)c(O)cc1O)CCO2 1785510005 KTFJRJYAVXWQOZ-ZGVNINRLSA-N 490.896 2.025 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)CCc3cn[nH]c3)CCC2)cc1 1792314108 SEESQDJIGPMDBT-UHFFFAOYSA-N 457.581 2.337 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3cccc(Cl)c13)C2)c1cc(O)nc(O)c1 1796138525 DIYOSJCBUORMAX-NXCRSVRDSA-N 456.886 2.145 10 20 JECD CSc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc1 1796482579 KPSUCMQJSYCYGS-HBNMSFMJSA-N 492.601 2.334 10 20 JECD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)c1 1796601569 ZSGPSAIFQWSJKV-RBVVOMGSSA-N 455.471 2.033 10 20 JECD CN(CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)C(=O)OC(C)(C)C 1796603807 XTJDAIDDWGBQDX-BJWYYQGGSA-N 462.547 2.392 10 20 JECD Cc1cc(F)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1799508370 WUAGAEPCKNSPBM-SCLBAFNVSA-N 456.470 2.168 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(F)cc(C(F)(F)F)c1 1799530338 AHSWIFXPFMALAQ-IVWMJMPLSA-N 469.391 2.168 10 20 JECD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)ccc(F)c1F 1801746430 FSQHKLUSQNUVOE-RSQQPWMTSA-N 482.487 2.269 10 20 JECD CCOc1ncccc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1802318170 DFJJNCNJRNZXNC-IERDGZPVSA-N 463.494 2.315 10 20 JECD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804330829 KFPATCDAMODTSK-MUJYYYPQSA-N 476.580 2.026 10 20 JECD Cc1[nH]nc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)c1F 1805119023 PLMTWSSHCKXEAX-GAJHUEQPSA-N 489.511 2.365 10 20 JECD Cn1c(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)cccc1=O 1805312311 CSVFWROVTJFMGX-VFNWGFHPSA-N 482.924 2.478 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc2c[nH]nc2c1 1808056838 FHWVWVPHSDDNKR-UTKZUKDTSA-N 494.602 2.138 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc(O)n2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808467632 IWHDLDNSWWIYMI-UUOWRZLLSA-N 484.516 2.295 10 20 JECD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1810532906 RJLWYTNIVISENZ-AFBRZQFHSA-N 472.929 2.157 10 20 JECD COc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)ccc1O 1816727312 NGMASVBYRIZWST-LBPRGKRZSA-N 456.480 2.203 10 20 JECD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)n1cccc1C=O 1823497115 ABMCOIITXABXPJ-BBRMVZONSA-N 488.595 2.137 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)nn2)[nH]n1 1823499926 GOECPIFJWRVTOI-GFCCVEGCSA-N 479.975 2.019 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3c2CCCC3)CC1 1827454907 IOIUKYPUYKWNJQ-GOSISDBHSA-N 489.667 2.382 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1csnn1 1833558582 PIFBTMGPIDYDOI-UHFFFAOYSA-N 465.963 2.102 10 20 JECD Cc1cccnc1C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1833575499 GRBUIUVGUNWLEI-UHFFFAOYSA-N 488.592 2.368 10 20 JECD COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)cn1 1833600842 HSMXUIIUVCXLIO-QPJJXVBHSA-N 496.564 2.106 10 20 JECD CC1=CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)CC1 1835438441 PJNMWZHRVGVUOA-KRWDZBQOSA-N 478.684 2.165 10 20 JECD CCN(C)[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331443 YGJGDYPOFMBJSA-WIYYLYMNSA-N 487.645 2.248 10 20 JECD COc1ccc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(O)c1OC 1845425373 CMSGLLBYODHXLT-UHFFFAOYSA-N 478.505 2.019 10 20 JECD Cc1cc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc2c[nH]nc12 1845604735 GJZIDXWBXBLSTR-UHFFFAOYSA-N 456.506 2.481 10 20 JECD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039402 LCBJPWRTXHINOQ-QPJJXVBHSA-N 471.441 2.310 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(Br)cc(C(=O)O)c2F)cc1 728504630 SZAJLNPQMVXVBS-UHFFFAOYSA-N 467.294 2.459 10 20 JECD CCOc1ccc(OC)cc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 729785094 RZMOIUORBUVFHB-QGZVFWFLSA-N 454.527 2.051 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 729923869 KRHVSSCOBWGMMO-NRFANRHFSA-N 498.605 2.258 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3ccccc3CN3CCOCC3)CC2)cc1 743304514 JQDFKTRZZBJREA-UHFFFAOYSA-N 453.587 2.471 10 20 JECD CN(C)CC(C)(C)CNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 913630169 CFTHOZOZWYIIBV-UHFFFAOYSA-N 450.517 2.419 10 20 JECD CCCN(C(=O)[C@@H](C)OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)[C@@H]1CCS(=O)(=O)C1 915551391 WZUNCJFHXLBTNW-HUUCEWRRSA-N 498.557 2.015 10 20 JECD O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918295785 GQVZLEDPYCZJIW-SFHVURJKSA-N 462.506 2.195 10 20 JECD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 918311846 WFHUOZDDHMGVLG-UHFFFAOYSA-N 450.539 2.321 10 20 JECD CC(C)n1ncc2cc(NC(=O)C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cnc21 918439565 NJNQCFHKERRUJE-UHFFFAOYSA-N 454.506 2.367 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(N4CCCCC4=O)c3)cc2)C1 918466029 WVFCMBDBJBOMRD-LJQANCHMSA-N 477.565 2.160 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4cncn4c3)C2)C1 1778695500 KVMHLCKEFXGQMK-JOCHJYFZSA-N 456.886 2.156 10 20 JECD CCOc1cccc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1780853380 FTANUEAEUSBHGQ-PMDNVAFQSA-N 468.506 2.359 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ncccc3[nH]1)CCO2 1782007618 IQYSFHLVFBMXIP-JOCHJYFZSA-N 456.886 2.385 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)n2cncn2)cc1 1801359560 FTMZPDAIEFYVDT-WRHDZBKDSA-N 462.554 2.150 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncccc3c1)C2 1802079604 MQLPGDKHAVXVRC-SKMDJGCISA-N 475.501 2.268 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2CCc3sccc3C2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994216 SZGZIWWGHXSJSZ-MZNJEOGPSA-N 493.589 2.327 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CNc2ccc(F)cc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995457 YWSYLNKLZBMHFJ-WAIKUNEKSA-N 465.485 2.459 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(CO)o2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469557 PHGNDVQSEVDYBN-MHECFPHRSA-N 487.516 2.279 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811796236 FSXCAYRFNDGZBC-WTANOLMUSA-N 495.985 2.147 10 20 JECD CN(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1814189946 LJKNDATWOGJRBC-XMSQKQJNSA-N 497.646 2.328 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)C1CCSCC1 1823548297 FAFVWENNFKSXDZ-AWEZNQCLSA-N 467.642 2.405 10 20 JECD COCCOCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708611 KBZGILMEUHZLBS-LLVKDONJSA-N 455.920 2.097 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)CN2CCCC2)CC1 1823795853 HEDOBNOTKRMCSD-HSZRJFAPSA-N 465.598 2.495 10 20 JECD Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)no1 1826053828 NMIYRAATVYAFMN-INIZCTEOSA-N 450.586 2.077 10 20 JECD Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc1O 1828247224 QDTHHFHNHZGEGG-LBPRGKRZSA-N 476.605 2.243 10 20 JECD COC(=O)C1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1831456804 BMAYUSPVUOIFCC-NRFANRHFSA-N 480.565 2.352 10 20 JECD CC(C)N[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)C(C)C 1832898176 DCZGNVYROXJHKF-WIYYLYMNSA-N 482.716 2.489 10 20 JECD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1cccs1 1840378478 UQPTTWLGDUCNSL-WPBXQCFXSA-N 488.562 2.138 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCC3(F)F)C2)C1 1840880116 XCYDGNHQNODLDT-RNNSKVFSSA-N 496.507 2.099 10 20 JECD COc1ncccc1CCC(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441373 OYKJOEIKFQIUSY-UHFFFAOYSA-N 461.522 2.019 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cc(Cl)c(O)cc2O)C1 1845288105 UWJHUUMGEHBWPO-HWKANZROSA-N 460.870 2.398 10 20 JECD CSc1cc2c(cc1NC(=O)C(=O)NCc1ccc(N3CCOCC3)c(F)c1)OCCO2 726287627 IUUDVVMUDLKQLA-UHFFFAOYSA-N 461.515 2.410 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cc(F)ccc3OC[C@@H]3CCCO3)cc2)C1 730911657 MGDAKDMFJZZQLN-RXVVDRJESA-N 498.555 2.340 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccccc3S(=O)(=O)CC(F)F)CC2)cc1 731271528 ZGPHSYKLVLFFAB-UHFFFAOYSA-N 482.505 2.240 10 20 JECD O=C(CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)NCc1ccc(N2CCOCC2)c(F)c1 917063231 AINFDFCZZJMAPC-UHFFFAOYSA-N 493.583 2.147 10 20 JECD COc1ccc(C(=O)NCCCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 917832855 ILHQSTLOXUDQHJ-FQEVSTJZSA-N 452.555 2.223 10 20 JECD CN1CCN(Cc2ccc(CNC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2)CC1 918117288 JMGYBVKCCNBVIL-DEOSSOPVSA-N 478.641 2.135 10 20 JECD COC(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1Cl 918462501 BKGHMLDIWJZVJE-HNNXBMFYSA-N 472.929 2.083 10 20 JECD Cc1oc2ncn(C)c(=O)c2c1C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 919018001 RLGUVSARLGNQRH-ZIAGYGMSSA-N 486.500 2.061 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H](C)NC(=O)c3cccs3)cc2F)C[C@@H](C)O1 919049822 AGTHCTGFWNDXSV-XHSDSOJGSA-N 477.558 2.479 10 20 JECD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 920482539 RQLVJZQFXYWNNX-UHFFFAOYSA-N 473.598 2.080 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)[C@H]1C[C@@H]1c1ccccc1 1782129949 ZPZDGAWGNQOISL-XZWCOCNFSA-N 451.523 2.424 10 20 JECD C[C@@H](Cc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1784212947 OTYMJESPGXHMEL-CCLHPLFOSA-N 474.561 2.488 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)[C@H](O)c3ccccc3Cl)C2)C1 1784255022 NBCSJYMNMXKRBM-KKWHGVOKSA-N 488.924 2.034 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1785024745 QARVPHRFDMGMMI-DFPDZIMCSA-N 499.995 2.401 10 20 JECD COc1ncc(Cl)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785506102 UYYPLSFDSKWIPB-UUCGHWEQSA-N 489.912 2.017 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cc(C(F)(F)F)ccn1)CCO2 1785507376 OZVJFZGRCVMJCB-YSNSILARSA-N 493.438 2.374 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)Cc1cccc(F)c1F)CCO2 1785509902 CCDQONXMEMFZDQ-SXBBHYFQSA-N 474.460 2.167 10 20 JECD Cc1noc(C)c1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792217733 KPDVVOQNYCUIBF-XWHWOWAQSA-N 485.537 2.034 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc2c(s1)CCC2 1794960009 CMBVKHNRGNABGK-GPVSGQMNSA-N 478.574 2.233 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)C2)c1cc(O)c(O)c(Cl)c1 1799767564 YLHLCSLUJOTSRT-VTEUUUEMSA-N 493.875 2.244 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)C(=O)CC3)C2)c1cc(O)c(O)c(Cl)c1 1799767982 HTPUSCXZJCFBCQ-VPTLXERWSA-N 470.909 2.397 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(N2CCCOC2=O)cc1)c1cc(O)nc(O)c1 1800786005 GVCZJTXVADOZMQ-GGPHIMKMSA-N 466.494 2.405 10 20 JECD CC(=O)Nc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)n1 1804283926 PLYFJBMXIWJLGN-NCSHHQJSSA-N 466.494 2.122 10 20 JECD Cc1cncc(CCC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1804520107 VTSSCTYEFXSMSC-CVDCTZTESA-N 497.646 2.284 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)nc1C 1805137710 LTSMAMJEXYUNHE-UWJYYQICSA-N 483.619 2.273 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3ncsc3[nH]2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993959 AQMDADHSYGVYIR-DJJJIMSYSA-N 464.507 2.459 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnc3ccccc3n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995172 DMMPOKLGQVIQTN-QMHKHESXSA-N 470.489 2.464 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001651 VGIKDAXDKFGMPY-QKKBWIMNSA-N 479.449 2.135 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1nc2ccccc2[nH]1 1809046071 SPXSWCVGTDJSBD-QRWLVFNGSA-N 494.602 2.138 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CC2)C1 1810550178 CTTQMJGFYYGCSY-DWXRJYCRSA-N 476.533 2.248 10 20 JECD CC(=O)c1cc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n[nH]1 1814162423 JULIVMFSNBLGIO-VVVOIBFMSA-N 491.504 2.157 10 20 JECD O=C(CCN1CCCC1)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367437 ZRGSXWDIJGUXEW-MRXNPFEDSA-N 480.594 2.334 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3snnc3C3CC3)sc2C1)c1cc(O)nc(O)c1 1817833998 KQDQNMGEISGCGA-JTQLQIEISA-N 458.525 2.218 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc2[nH]ccc2n1 1819052384 YATHDVVYOBVZPH-MRXNPFEDSA-N 483.579 2.452 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc(O)c([N+](=O)[O-])c1 1823223864 LVYABACRQZXKIB-NSHDSACASA-N 471.451 2.103 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cc(O)ccc3F)sc2C1 1823290083 ZMTYSQFRALIFIS-SECBINFHSA-N 480.568 2.074 10 20 JECD Cn1cnc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)c1 1827715202 ILLUIFKPUKWUCS-QFIPXVFZSA-N 462.554 2.446 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)COCc1ccccc1)CC2 1828242209 DVQABXFXENAOIU-AWEZNQCLSA-N 490.632 2.132 10 20 JECD O=C(CCc1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1833051039 LSUCFKGQFZQMIF-QFIPXVFZSA-N 464.902 2.047 10 20 JECD COc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)ccc1C 1834988718 IKOBDYFLMSRQDX-UHFFFAOYSA-N 468.554 2.309 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccc(Cl)cn1 1835902583 JKWRFMOHBLMYCV-UHFFFAOYSA-N 459.934 2.040 10 20 JECD CSCC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1836896826 ZGYGVZLTEYWWPY-UHFFFAOYSA-N 487.713 2.235 10 20 JECD O=C(Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431595 AQVOVCQMYRSPIZ-HSZRJFAPSA-N 460.914 2.064 10 20 JECD CO/C=C(\C)C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251665 PFEOBMMXCYVCSG-QCUIPMNBSA-N 489.569 2.287 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCC[C@H](C2OCCO2)C1 729600509 RRUKZZQGGAMONC-IBGZPJMESA-N 470.549 2.237 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(NC(=O)C4CC4)ccc3C)CC2)cc1 743432537 PIOAIMNCBWAWQA-UHFFFAOYSA-N 479.581 2.229 10 20 JECD CN1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)cc2Cl)CC1 750360473 NBHPSTYHLNGPEF-UHFFFAOYSA-N 471.989 2.183 10 20 JECD O=C(COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O)NC1CC1 864357416 YFLMXXDIIHZYIH-UHFFFAOYSA-N 469.859 2.190 10 20 JECD CS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cn1 917675227 HRUUMKXRMANGDK-UHFFFAOYSA-N 451.416 2.421 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cc([N+](=O)[O-])ccc3N)cc2F)C[C@@H](C)O1 919030495 FLAWPRVCNSPMAS-OKILXGFUSA-N 460.462 2.403 10 20 JECD NS(=O)(=O)c1ccc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c([N+](=O)[O-])c1 919723709 UWEFCTNZCHMEGW-UHFFFAOYSA-N 487.517 2.110 10 20 JECD C[C@H]1CCCN(CCNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919784728 SBSWZJDOJSBMHQ-IBGZPJMESA-N 455.582 2.473 10 20 JECD C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)c1ccc(N2CCOCC2)cc1 920881707 XHGOGGLLBORMCK-FOIQADDNSA-N 458.946 2.028 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4cnccc4n3)C2)C1 1777736489 HVUWPEXCRWCQMM-QHCPKHFHSA-N 468.897 2.452 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1[nH]nc2ccncc12 1777908479 ZSCIQLGYDNVSNQ-WZONZLPQSA-N 485.928 2.464 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1cc2[nH]ccc2s1 1778734019 PUTDKJWIIZLUGI-IIBYNOLFSA-N 492.648 2.217 10 20 JECD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)nn1C(F)F 1780307094 VMRXQNVGKCCZFS-FQEVSTJZSA-N 470.860 2.409 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)[C@@H]1CCc2ccccc2O1 1782150834 RMVHXXWKYWAREK-WZOHSFFVSA-N 467.522 2.014 10 20 JECD Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)cc1F 1784436304 SHHBIIURIXUZNO-QRFRQXIXSA-N 457.502 2.166 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)C3Cc4ccccc4C3)C2)C1 1785684250 RMZHYEIDZATKKS-AQBQYSGMSA-N 464.518 2.062 10 20 JECD CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C[C@@H]21 1788614878 KEHUGMKBUZBBQU-PMVMPFDFSA-N 497.665 2.171 10 20 JECD O=C(CN1C(=O)C=CC1=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1 1790777265 PNEKCJWRIOQUMO-UHFFFAOYSA-N 469.881 2.424 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4CN(C)C4)[C@H]3C2)cc1 1791797970 QBTMYKBMAZBEAX-OYDLWJJNSA-N 450.583 2.249 10 20 JECD COc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)cc1OC 1793897921 CZZGPJXJMJTIAP-BCDXTJNWSA-N 455.511 2.395 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796602873 WMKIIXYOUSEUSC-NRSFXHEJSA-N 474.558 2.392 10 20 JECD COC(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)s1 1799047809 WXKWQXFNYDGYHA-DBWKPXFBSA-N 494.953 2.045 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cccc(O)c1)C2)c1cc(O)c(O)c(Cl)c1 1799768159 MLZOEAULFVGHOH-BZGPJFGBSA-N 458.898 2.373 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccc(O)cn1 1806110355 LWFFGNSOQYLURA-ISKYRRHISA-N 476.489 2.332 10 20 JECD Cc1nc[nH]c1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808677196 HGJHTMQVTCYBHC-MBSDFSHPSA-N 471.521 2.226 10 20 JECD O=C(Cn1ccc2sccc2c1=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810547426 PDSXZZHAEZIEEP-UHFFFAOYSA-N 482.562 2.414 10 20 JECD COc1ccccc1CC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1812767513 MPHULOPCNAPFMI-FDDCHVKYSA-N 498.630 2.199 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)[C@H]1CCCSC1 1814143435 AGJQJIQUTBDMAZ-TXPKVOOTSA-N 478.665 2.091 10 20 JECD O=C(Cc1cnc2ccccn12)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1814834690 GKJDPYNRZRRTPV-QGZVFWFLSA-N 461.482 2.412 10 20 JECD Cc1cccnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815403474 ZNXLGPDTSBBNBR-CQSZACIVSA-N 458.569 2.279 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccn3ccnc13)CC2)c1cc(O)nc(O)c1 1816725823 MRSLNBVOOWIPQZ-GFCCVEGCSA-N 450.480 2.137 10 20 JECD CN(C)c1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)c1 1821327585 KSKABGNYADDFCQ-LBPRGKRZSA-N 498.521 2.463 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)[C@@H]1CCCO1 1822158935 ZTMXPOQLAXJJMF-OALUTQOASA-N 450.499 2.374 10 20 JECD Cc1cccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1 1828242507 JZGXBBXZVQTHHI-CQSZACIVSA-N 474.633 2.467 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(O)c(F)c1)CC2 1828247489 SWNPJGKNJUUDIB-JTQLQIEISA-N 480.568 2.074 10 20 JECD O=C(c1cncc(F)c1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898528 NVNBSIWJHMFYEU-QGZVFWFLSA-N 464.588 2.314 10 20 JECD COc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834988766 LJWJVUMWUDEVQC-UHFFFAOYSA-N 454.527 2.000 10 20 JECD Cc1ncccc1CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837106016 BBBGCEKOONVYGN-UHFFFAOYSA-N 468.554 2.441 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCOC4)C3)C2)cc1 1839349450 VEYHZCNLXBNFTJ-GJZUVCINSA-N 467.566 2.201 10 20 JECD Cc1cc(CC(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)n[nH]1 1844323781 CMEFMOCYBNCVSZ-OAQYLSRUSA-N 496.612 2.182 10 20 JECD COc1ccc(N2CCC(NC(=O)NC[C@H](O)COc3ccc4c(c3)CCC(=O)N4)CC2)cc1 726714528 YDBXVKRQUFEQIJ-FQEVSTJZSA-N 468.554 2.288 10 20 JECD CS(=O)(=O)NCCN1C(=O)/C(=C/c2cc(Br)c3c(c2)OCCCO3)SC1=S 727177048 VPSTVECHXINVLQ-LCYFTJDESA-N 493.426 2.361 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccccc3N3CCOCC3)cc2)C1 744854288 CSZWJKYRVIQUJG-OAQYLSRUSA-N 451.571 2.224 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCC(NC(=O)C2CCCC2)CC1 751347491 XOHZRWIFVPZJIL-UHFFFAOYSA-N 461.628 2.403 10 20 JECD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCC(=O)N1CCOCC1 914607595 IGGWDYNMOLALMP-FYWRMAATSA-N 453.611 2.095 10 20 JECD CN(CCCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)S(C)(=O)=O 915179097 NGEVWLDSJTZQHJ-WYMLVPIESA-N 461.656 2.127 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCN3CCN(Cc4ccccc4)CC3)cc2)C1 918117972 LWTVLKNZFDSUCM-XMMPIXPASA-N 478.641 2.005 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)cc1 918433887 ISFPVBFOQLUZPX-UHFFFAOYSA-N 465.598 2.104 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cn(-c2ccccc2)nn1 919761554 JBEQAABPNQIUET-UHFFFAOYSA-N 458.501 2.453 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc(N4CCNC(=O)C4)c(Cl)c3)CC2)cc1 920255636 GKFBSBFAXDDZSY-HJWRWDBZSA-N 497.983 2.128 10 20 JECD CC(C)CN1C(=O)/C(=C\Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)NC1=S 920974887 WWZYVOYMMLJVRV-ATVHPVEESA-N 450.586 2.056 10 20 JECD NS(=O)(=O)c1cccc2c(C(=O)Nc3ccc(NC(=O)C4=S=CC=C4)cc3)nccc12 1136557746 PIPZNTDEPPOHDN-UHFFFAOYSA-N 452.517 2.351 10 20 JECD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1 1337139421 JQVCFNQDOCPCIG-SFHVURJKSA-N 472.611 2.130 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1csc2c1CCCO2 1777808721 TYCVFFITLWSCFC-UZUQRXQVSA-N 473.551 2.321 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc(F)cc1)C2)c1cc(O)nc(O)c1 1777851046 USHJZEMGIXLVGC-NTKDMRAZSA-N 457.502 2.392 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3cc4[nH]ccc4s3)C2)C1 1778064339 YVOWWXQISBVEHL-XMMPIXPASA-N 477.546 2.466 10 20 JECD Cc1cccc(C)c1SCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1779289652 IVCQLJJMRILKRR-HSZRJFAPSA-N 457.552 2.345 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C2)C1 1781880881 HCMJLXZRDDASCL-HHHXNRCGSA-N 498.543 2.313 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc[nH]c3nccc1-3)CCO2 1782000775 BEAVZVREXCVVDT-JOCHJYFZSA-N 456.886 2.336 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cccc3c1OCCO3)CCO2 1782005580 OZEOCGWHMHDBGJ-HSZRJFAPSA-N 474.897 2.280 10 20 JECD O=C(CS[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007713 WGSMDBZDYJHDDO-WIYYLYMNSA-N 470.975 2.455 10 20 JECD COc1cccc(/C=C/C(=O)N2CC[C@@]3(C2)CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)CCO3)c1 1783413316 AKRTZMRQXGANJK-JZILDOMLSA-N 488.544 2.331 10 20 JECD CNc1nsnc1C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1785836791 RGDAXWCLRWNLRI-UHFFFAOYSA-N 476.609 2.188 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)cnc1O)C1=NN(c2ccccc2)C(=O)C1 1792438833 VIDPTRSSVGBMII-ACHSLPGTSA-N 467.913 2.485 10 20 JECD CCN(CC)C[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796934708 HBKIUWYSIJRSCL-MMKMLUHNSA-N 453.587 2.395 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)c1ccccc1)C2 1802078758 DJZJWMPIEVLCSO-UKTAJYQXSA-N 456.470 2.117 10 20 JECD Cc1cccc(F)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802082528 QIIXKOJYFJGFMX-NXYNRBCBSA-N 456.470 2.168 10 20 JECD CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1802882868 XPKMLXQKWIBGGS-CVAIRZPRSA-N 474.945 2.381 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1csnn1 1803758026 WJBCHTPBXBCLDI-DNBICOFOSA-N 467.507 2.083 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1ccc(N2CCOCC2)cn1 1804284029 ZBBVTZRWKOYVHH-POVUVCFGSA-N 494.548 2.000 10 20 JECD NC(=O)c1ncccc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1804811934 GHURBGPKNBFWAT-JLTOFOAXSA-N 495.923 2.274 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cnc(C(F)(F)F)cn1 1807907685 MYJGERWBBNUYMI-BFUOFWGJSA-N 488.426 2.330 10 20 JECD Cc1n[nH]cc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808470231 UOTSYYAGVJDSIU-FDDCHVKYSA-N 471.521 2.226 10 20 JECD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810554676 UIIMBJCHLMOUFV-UHFFFAOYSA-N 456.455 2.265 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2noc3c2CCCC3)[C@@H]1c1cccnc1 1814188823 AZZUZWSTWYMNMA-YCRPNKLZSA-N 499.618 2.128 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)Cc2ccsc2)[C@@H]1c1cccnc1 1814189675 VWUNRKFQKNXCPP-OXQOHEQNSA-N 474.633 2.252 10 20 JECD CN(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)C(=O)c1ccccc1 1815087933 GDVRGILARVQELS-SFHVURJKSA-N 478.509 2.294 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(-c3ccccn3)[nH]n1)CC2)c1cc(O)nc(O)c1 1816726756 YVUOOLIVTSAZEI-LBPRGKRZSA-N 477.506 2.274 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccncn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146530 NXLMUCFQYYQNNH-LJQANCHMSA-N 458.482 2.299 10 20 JECD Cc1nccn1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818147837 LGPIVAHKSUFLMW-HXUWFJFHSA-N 474.525 2.400 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc2cncn2c1 1819187376 OHBCFQYAZZQNRZ-INIZCTEOSA-N 483.579 2.224 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2O)[nH]n1 1823497307 VEQFKUVMLBOLFD-CQSZACIVSA-N 459.553 2.282 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cnn4cccc(F)c34)sc2C1)c1cc(O)nc(O)c1 1824370534 NIIXJKZCOLOFPS-NSHDSACASA-N 468.470 2.276 10 20 JECD CN(C)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1825604698 ABTROAIYSRELOH-GOSISDBHSA-N 489.667 2.241 10 20 JECD Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)n1 1825852223 GWGGRQSPDXTVFO-GOSISDBHSA-N 460.625 2.484 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]nc3ccncc23)CC1 1827485715 VGIHHEBPGVDAEQ-SFHVURJKSA-N 450.499 2.311 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1nc3ccccc3[nH]1)CC2 1828244715 ONPOBPNIOAMCRI-SNVBAGLBSA-N 486.604 2.106 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnnc3ccccc13)CC2 1828244751 PRKNLESSCPZSBE-NSHDSACASA-N 498.615 2.172 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1Cl)CC2 1828244892 WGDHIDJJQDPMOH-SECBINFHSA-N 482.012 2.278 10 20 JECD Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)nc1 1832994450 IUPOLAHGJWGITP-DEOSSOPVSA-N 489.956 2.157 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)CCc2cnccc2C(F)(F)F)C1 1841976565 ZNFIITXILSDUFK-UHFFFAOYSA-N 450.417 2.356 10 20 JECD CSCC[C@H](CC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)NC(=O)OC(C)(C)C 1843249907 OLYIOLPGSVUOJB-MRXNPFEDSA-N 494.614 2.346 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cn3ccc(C(F)(F)F)cc3n2)C1 1845575284 OKALKOOEOLCNPI-UHFFFAOYSA-N 461.400 2.290 10 20 JECD COC(=O)c1ccccc1CCC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034693 LYIHROUKNRJCKO-FMIVXFBMSA-N 480.517 2.439 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 16134489 SQJZXJIECCUKEU-UHFFFAOYSA-N 451.976 2.456 10 20 JECD CCc1ccccc1NC(=S)NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 18925906 WELDVXKUEIKCEH-UHFFFAOYSA-N 465.557 2.492 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 104541648 JHQRAKBJNAKTGC-UHFFFAOYSA-N 489.594 2.231 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCN([C@@H]2CCC[C@H]2O)CC1 728746239 RQDLAVPIMOGJDN-WOJBJXKFSA-N 456.509 2.283 10 20 JECD CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(S(=O)(=O)N(C)C4CC4)cc3)ccc21 729060507 HWSWFLUGKBDKKU-UHFFFAOYSA-N 456.568 2.107 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)CC2)cc1 731185441 XFHRSLYEAPAVAP-QFIPXVFZSA-N 450.583 2.486 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1F 731408034 BNCQWIYTSKTPRH-UHFFFAOYSA-N 456.518 2.399 10 20 JECD CCS(=O)(=O)CCOc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)cc1 746354143 OHFNTAAZTCHWGF-UHFFFAOYSA-N 490.625 2.371 10 20 JECD O=C(NC[C@H]1CCCO1)c1c(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)sc2c1CCCC2 747407108 OPSSPUCZOWDLJK-OAHLLOKOSA-N 488.595 2.312 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc[nH]2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 749956434 UAJPPJLPFNBNPJ-UHFFFAOYSA-N 471.535 2.483 10 20 JECD CCOC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)N(C)C)CC2)sc(C)c1-c1ccccc1 914575375 GZNVNADTHZWCGC-UHFFFAOYSA-N 494.639 2.263 10 20 JECD O=C(COC(=O)Cn1c(O)nc2ccccc2c1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 915402264 IOIWHAISYRFDAV-UHFFFAOYSA-N 483.436 2.059 10 20 JECD CCCN(C(=O)[C@H](C)OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)[C@H]1CCS(=O)(=O)C1 915551390 WZUNCJFHXLBTNW-GJZGRUSLSA-N 498.557 2.015 10 20 JECD O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916457400 BFJPHKNZINCHLX-CALCHBBNSA-N 453.461 2.333 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)N1C[C@@H]2CCCN2c2ccccc21 918438447 PFRPEJQHQHCNHT-SFHVURJKSA-N 452.530 2.419 10 20 JECD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 920880309 CLPTXUQBKKZBIZ-CJAUYULYSA-N 450.539 2.476 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1cccc2cnccc12 1779081149 BALIXPBOSOLSNH-NTKDMRAZSA-N 498.630 2.223 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)n(C)n2)CCO3)cc1 1781751867 YUFPIRGVWKBGNH-VWLOTQADSA-N 463.538 2.291 10 20 JECD Cn1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c2cccnc21 1782007457 RWRSFVZKOVWDSF-HSZRJFAPSA-N 470.913 2.395 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccsc1)C2 1783245229 OEFRVNIBGQIVMI-VIDZQNPKSA-N 479.649 2.136 10 20 JECD C[C@H](Sc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510264 JCHKMKUIRIOCSH-NTQIDZRZSA-N 485.562 2.222 10 20 JECD CCNC(=S)NCC(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788674222 WVIKHWFSDKIJBS-UHFFFAOYSA-N 492.605 2.397 10 20 JECD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1)C(=O)OC(C)(C)C 1790242070 LMTKDZSTVWHSFF-YEWWUXTCSA-N 497.976 2.211 10 20 JECD O=C(Cn1cccc([N+](=O)[O-])c1=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1791113888 LSGMWGHVVKFFSS-UHFFFAOYSA-N 479.449 2.011 10 20 JECD CC(F)(F)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792217932 UZEFUAFYPZHJIY-JLOAWQKBSA-N 468.497 2.478 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(F)ccc1OC(F)(F)F 1798573156 UYEDJAOMVPWEHR-KSPBDQMDSA-N 485.390 2.048 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cccc(F)c1[N+](=O)[O-] 1799634125 ZORZABLMPCPCJA-DPIQGUFMSA-N 479.848 2.316 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc(F)cc(Cl)c1 1801757587 PYWYOJYUYWTKFG-MFKICJERSA-N 484.915 2.475 10 20 JECD O=C(CNC(=O)c1ccco1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1807593399 JPZZYVHPNUFQTF-VFNWGFHPSA-N 498.923 2.489 10 20 JECD C/C(=C/C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)C(=O)O 1814098729 FRJYRVDCZDINAT-ZNNASRJFSA-N 459.886 2.497 10 20 JECD COc1cscc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814189472 QIHAZSBWNFHLNZ-AUUYWEPGSA-N 490.632 2.332 10 20 JECD Cc1oncc1C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364610 VVUOFRRZRLNAAE-ZDUSSCGKSA-N 464.507 2.458 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2)n1cccn1 1826857582 AJNQQCGSRNPESS-LSDHHAIUSA-N 477.550 2.306 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)c1ccccn1 1828249590 KJRAMTRNUKNLJH-NWDGAFQWSA-N 475.621 2.114 10 20 JECD O=C(O)c1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)ncn1 1832876187 DVAKXFNOUZORNE-XZXOBPBMSA-N 496.520 2.238 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(OC3CCN(C(=O)C(O)O)CC3)CC2)cc1 1836632391 OIBAOPSBHSYYLK-UHFFFAOYSA-N 455.555 2.017 10 20 JECD COCCOCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837769172 KOVXYVOABGUHGL-UHFFFAOYSA-N 470.950 2.026 10 20 JECD CC1=C(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)CCO1 1837993362 QZGUXLUNQUUMTO-UHFFFAOYSA-N 480.565 2.472 10 20 JECD O=C(CC12CCCN1CCC2)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838030255 ISPIIMZUSGLWNK-UHFFFAOYSA-N 472.586 2.124 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3ccncc3Cl)CC2)CC1 1838455638 RIMWJZMLRZPFMY-UHFFFAOYSA-N 497.042 2.208 10 20 JECD COc1ccc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1839359871 CJFSFDHNLYTSJA-DEOSSOPVSA-N 490.940 2.452 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCCOC1)C2 1843331559 JNFLGGCUDPBAIV-TZIWHRDSSA-N 486.613 2.335 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1844509769 IPHXAZHFAGQSAG-GQCTYLIASA-N 466.416 2.086 10 20 JECD O=C(CC(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)Nc1ccc(F)cc1 1844992673 BGENWBZGEYOKHC-YCRREMRBSA-N 469.469 2.188 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCOC2)C1 1847030805 RHRCGNXTGZFVBD-TZIWHRDSSA-N 486.613 2.335 10 20 JECD O=C([C@H]1CCc2cccc(Cl)c21)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055100 CDFYJMRETSNNED-AWEZNQCLSA-N 464.012 2.434 10 20 JECD COC(=O)c1cc(S(=O)(=O)N2CCCN(c3ccc(OC)cc3)CC2)c(C(=O)OC)s1 726602724 FSZMKMWDSHYYLY-UHFFFAOYSA-N 468.553 2.231 10 20 JECD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726725696 FVDGVDLHEPWYFB-UHFFFAOYSA-N 476.480 2.380 10 20 JECD CCCNC(=O)[C@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C1 747886391 GNLVRLGJPCLPPC-HNNXBMFYSA-N 490.538 2.480 10 20 JECD CN(C)CCN1CCN(C(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CC1 914445274 TUQLNFOHMNCCDW-LGMDPLHJSA-N 497.484 2.356 10 20 JECD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 916640351 XVORVFSOLCHMTH-UHFFFAOYSA-N 489.617 2.182 10 20 JECD COc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2cccnc12 917929261 BLRYGWMVVKJQIL-QGZVFWFLSA-N 454.552 2.424 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2F)C[C@@H](C)O1 918288120 UCBUCEIPLFEWOW-QZTJIDSGSA-N 498.555 2.167 10 20 JECD Cc1cc(C(=O)COC(=O)CN2CCCS2(=O)=O)c(C)n1-c1ccc(OC(F)F)cc1 919359999 ZXLSXPGQXOWGFQ-UHFFFAOYSA-N 456.467 2.457 10 20 JECD CCS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 919652375 ZMZYMPVEWVOMLU-OAHLLOKOSA-N 484.530 2.005 10 20 JECD COc1cc(N2C[C@@H](C(=O)NCc3ccc(N4CCOCC4)cc3)CC2=O)cc(OC)c1OC 919767090 BIPKOJCNHPNUPK-SFHVURJKSA-N 469.538 2.218 10 20 JECD CN1CCN(Cc2cccc(CNC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2)CC1 1115976651 NPQAQWGKCFZQRT-XMMPIXPASA-N 478.641 2.135 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)nc1 1778126178 JQIJADDWDJRLJU-ATIYNZHBSA-N 475.549 2.310 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4cncn4c3)C2)C1 1778695501 KVMHLCKEFXGQMK-QFIPXVFZSA-N 456.886 2.156 10 20 JECD COC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753806 MXFVXYYBQCPRJE-VWLOTQADSA-N 453.539 2.491 10 20 JECD CCc1nn(C)c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1Cl 1782005139 VBOKRNFLXHIOCW-NRFANRHFSA-N 483.352 2.458 10 20 JECD Cc1ncc(/C=C/C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)s1 1784689083 QMPQYTWKGWRFCX-GWQVUSPRSA-N 471.535 2.125 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)CC1Cc3ccccc3C1)CCO2 1785511908 YRIXFQFRPWBKCA-PMHUYKBPSA-N 478.545 2.452 10 20 JECD CNC(=S)NCCC(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788673941 QUNVEXMFDZHMMG-UHFFFAOYSA-N 492.605 2.397 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c(F)c1 1792217672 FHMCGZUKKICMQI-QHVXYVIKSA-N 486.496 2.258 10 20 JECD C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1)c1ccccc1 1792241830 JJOJOXFZOFPSRH-BVBHFADKSA-N 475.636 2.020 10 20 JECD Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796138514 CJECAFDMGOVBJK-MFKICJERSA-N 497.939 2.064 10 20 JECD O=C(Cc1ccc(Br)cn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796598948 PFFWKTYQCLUEJG-MUJYYYPQSA-N 461.316 2.145 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1797265359 ZUZHZFMWGPUCCL-RDTNQEAYSA-N 479.668 2.043 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CC(C1)C2 1801591281 JZWWWHDBOARGDP-QWSAWGBRSA-N 498.624 2.094 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(F)CCCCC1(F)F)C2 1802079515 GOKDJXWCRXQUKH-LXSMFGNTSA-N 484.471 2.324 10 20 JECD O=C(Cc1cnccn1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1803299743 DKSKXLFBEICYEL-QVKFZJNVSA-N 467.913 2.499 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3ncsc3[nH]2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993961 AQMDADHSYGVYIR-YJYMSZOUSA-N 464.507 2.459 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2n[nH]c3ccccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996395 RDHOYAGZWVOZNV-OYHNWAKOSA-N 458.478 2.398 10 20 JECD Cc1c(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)nc2ccccn12 1809083609 OLDDTJSBBLVKGM-HXOBKFHXSA-N 472.505 2.477 10 20 JECD Nc1ncc(C(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)s1 1809895076 BQEOSZXEOURRIM-UHFFFAOYSA-N 466.567 2.363 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccn2cncc12 1810000064 WLESLZJUZOWBJZ-AOMKIAJQSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccc1 1811670852 KHVMLJYSHHZGTL-FXAWDEMLSA-N 454.577 2.262 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccc(-n2cncn2)c1 1811822357 FESWVYBBLRUUPG-JPYJTQIMSA-N 485.504 2.102 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(-c3ccccn3)[nH]n1)CC2)c1cc(O)nc(O)c1 1816726754 YVUOOLIVTSAZEI-GFCCVEGCSA-N 477.506 2.274 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3c[nH]c4ncccc34)sc2C1 1818167616 KMAFLJUUHDCVBD-JTQLQIEISA-N 486.604 2.106 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(-c4cccnc4)[nH]n3)sc2C1)c1cc(O)nc(O)c1 1820611067 DBPYFRULVTWCDW-ZDUSSCGKSA-N 477.506 2.274 10 20 JECD Cc1cnoc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1821136625 NMXXHURUGKVVIR-QDBLGGKGSA-N 456.480 2.496 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1822876988 AIQQNOXXSZXFFK-AWEZNQCLSA-N 481.534 2.431 10 20 JECD Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cn1C 1827867541 GTYLBCMNJBHEAO-SFHVURJKSA-N 462.641 2.427 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3c1OCC3)CC2 1828244368 DJNYGADFUKSQOB-GFCCVEGCSA-N 488.616 2.164 10 20 JECD O=C(c1c[nH]c(=O)cn1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740048 GVJKJZSOTMHXDD-KRWDZBQOSA-N 460.918 2.382 10 20 JECD O=C([C@@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900215 LXANMWUQCCKORR-IRXDYDNUSA-N 453.630 2.036 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cc(-c2ccccc2)[nH]n1 1836156617 PRWOSFSTZNWEDR-UHFFFAOYSA-N 490.564 2.382 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc4n[nH]cc4c3)CC2)CC1 1838031608 VINAEGPMWYKQAB-UHFFFAOYSA-N 465.510 2.295 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)C1 1841413280 ZROSAMCXUVCTSC-INIZCTEOSA-N 474.558 2.347 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1841777447 JCPNNUAFKQPUFZ-INIZCTEOSA-N 460.531 2.099 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCCC12CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)C2 1847034705 NCQCUQKDZHKLSX-CSKARUKUSA-N 477.517 2.439 10 20 JECD O=C(c1cnn2cccc(F)c12)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039473 UVXVLPVYEWHPOQ-FNORWQNLSA-N 452.442 2.121 10 20 JECD Cc1nc2ccc(F)cn2c1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039525 YRFPICPZPSYYCR-XBXARRHUSA-N 466.469 2.429 10 20 JECD CN(CCS(C)(=O)=O)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 728026159 AMBGYKPXKKVCCV-LCYFTJDESA-N 477.427 2.153 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 728983707 CQOHOMJOVXANHR-OAHLLOKOSA-N 463.556 2.039 10 20 JECD NC(=O)c1ccccc1OCC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 729928034 WDMKBVXQENLRAG-UHFFFAOYSA-N 458.426 2.122 10 20 JECD O=C(NCCN1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1)c1ccccc1F 731281119 TZYYFXIRQDOVME-UHFFFAOYSA-N 487.551 2.059 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1F 731409147 MIIVYESSYORBLG-UHFFFAOYSA-N 464.563 2.486 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)c4cc(C)oc4C)CC3)CC2)cc1 742940660 WGKYGMVCUHEKKY-UHFFFAOYSA-N 469.586 2.195 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCc3ccccc3N3CCOCC3)CC2)cc1 744868973 MGTLWANBWRIOED-UHFFFAOYSA-N 453.587 2.153 10 20 JECD CCN(CC)C(=O)CSCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 824287850 ZOFGTMKCPQKNLS-LICLKQGHSA-N 495.648 2.334 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H](C)NC(=O)c3ccoc3)cc2F)C[C@@H](C)O1 917317420 FHUAWMAZVIRRNI-OWCLPIDISA-N 461.490 2.010 10 20 JECD COCCOc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 919664685 IGDJENTWPIKIAF-UHFFFAOYSA-N 455.555 2.484 10 20 JECD CC(C)[C@H](CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCN(C)CC1 919782235 FTCKHPCXPBHJAH-DEOSSOPVSA-N 498.651 2.014 10 20 JECD CCN1CCN(CCCCNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 919783165 GBHIQGKGXRNERT-UHFFFAOYSA-N 498.651 2.159 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)cc1 919959119 DIEHUBLXAXFQAL-UHFFFAOYSA-N 497.414 2.415 10 20 JECD COC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 920786537 BBKYCZVHCNQEBH-HOTGVXAUSA-N 457.502 2.410 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)cc1 1337376066 BKDJQUDTZAFJBS-UHFFFAOYSA-N 495.001 2.170 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cnc2ccoc2c1 1777920524 DHISWHXTTYYHSL-WZONZLPQSA-N 452.467 2.075 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 1778189653 DXNGBZDGOMWRRQ-IXFSTUDKSA-N 457.914 2.393 10 20 JECD CC(C)O[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1779467643 VUIQPAJPYPHJJM-IOZGHAEBSA-N 470.570 2.107 10 20 JECD C[C@H](Cn1cccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781119587 PRXBNGGGRGHNJT-NFHUAXAMSA-N 476.961 2.412 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccnc3Cl)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537383 QYXVLPHTIYDIDQ-CUWPLCDZSA-N 495.967 2.050 10 20 JECD CC(C)c1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)cc1 1792241962 MLASTTVYMZJEOQ-UFYCRDLUSA-N 489.663 2.193 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1nnsc1C1CC1 1796934308 HKMABHJJGWEGBB-ACHSLPGTSA-N 464.551 2.460 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCc1ccncc1)C2)c1cc(O)c(O)c(Cl)c1 1799767414 OQDKGPGCTVUHOC-UPHUGPLXSA-N 459.930 2.372 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Cl)s1)C2 1802078802 IUUGMHZWKAZVAQ-NHEOTCHKSA-N 478.954 2.364 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cnc(-c2ccccn2)nc1 1804796265 JHJDDFGECWPOQQ-HXOBKFHXSA-N 497.515 2.373 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cnn(-c2cccnc2)c1 1805075061 QQNDIBZTACYTBV-GAJHUEQPSA-N 485.504 2.102 10 20 JECD Cc1ccccc1NCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1807298235 DJMUJKGFDSEVCH-FDDCHVKYSA-N 497.646 2.368 10 20 JECD Cn1c(C(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)cccc1=O 1807985598 SEKKNLAESDXHBO-UHFFFAOYSA-N 475.549 2.023 10 20 JECD COc1ncc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1F 1807992524 ZPWVXSBGVQWPTG-VLIAUNLRSA-N 467.457 2.064 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ncn(-c3ccccc3)n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994539 UJPALGFLVFNHBP-HTAPYJJXSA-N 485.504 2.102 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccn2cncc2c1 1809969877 FPKLHDXIPVJBTE-JTSKRJEESA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2ncccn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811799653 XZRRGLCFKIETKN-BTYIYWSLSA-N 467.913 2.499 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cn2cccn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803239 GSRMOGUZAUGPNM-MGPUTAFESA-N 455.902 2.363 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccno2)[C@H]1c1cccnc1 1814162149 GSZMPQIQBILBMN-XGBCVQCSSA-N 450.451 2.219 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3nonc3c1)CC2)c1cc(O)nc(O)c1 1816726436 YPXJZSUZUODDME-NSHDSACASA-N 452.452 2.025 10 20 JECD CC[S@](=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1819521885 IKIHTNOUOKYOEY-MIATYIQQSA-N 479.580 2.044 10 20 JECD N=C(N)SCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1826782704 AFSTZIIODFRDJY-LJQANCHMSA-N 470.599 2.026 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2)n1cncn1 1826797973 LQGUMRBDVBHAGN-ONGXEEELSA-N 462.919 2.286 10 20 JECD C[C@](O)(CC(=O)O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1831869214 BQBJJGRCMGKOSH-MVYDMROTSA-N 490.553 2.052 10 20 JECD NC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)c1ccccc1 1832898299 JQHDUKVEYUEDDD-PMACEKPBSA-N 488.679 2.209 10 20 JECD Cc1ccn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)CCO3)n1 1839348953 VXNLTZBOASTYEK-MHZLTWQESA-N 491.592 2.369 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1843903899 VFBOYAOVCGWQJC-DBWMJRBXSA-N 487.553 2.277 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCCCO1 1847313575 BVOJODZVBOFLIQ-CLAROIROSA-N 486.613 2.476 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)CC2)cc1 726728409 RTODAVCEIMCDSW-UHFFFAOYSA-N 479.581 2.121 10 20 JECD O=C(c1ccc(S(=O)(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)cc1)N1CCOCC1 727251280 QOYZMYFCVRXQBR-UHFFFAOYSA-N 497.562 2.059 10 20 JECD CN(C)CCCOc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 730679960 JYYQZJYGKSMZMA-UHFFFAOYSA-N 454.571 2.451 10 20 JECD CC1CCC(N2C[C@H](C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2=O)CC1 731383544 QZZFTLUYNFSPQT-SKINQDTJSA-N 475.561 2.249 10 20 JECD COCCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1Cl 747017983 VRQLXRGLRGRDOX-UHFFFAOYSA-N 458.946 2.354 10 20 JECD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)CC1 914436749 AIWQFNLBKGOJIE-UHFFFAOYSA-N 484.622 2.410 10 20 JECD CN(C)CCN1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 916382479 DRPYGUSALBEHKN-UHFFFAOYSA-N 457.541 2.367 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 917384139 UPCLXRQUDAIJTI-UHFFFAOYSA-N 457.577 2.477 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3sccc3S(=O)(=O)N3CCCCC3)nc12 918925823 XJEHANHWPYJWPK-UHFFFAOYSA-N 494.551 2.205 10 20 JECD CC(C)CS(=O)(=O)CCC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 919274169 FCBCNUBHNMDLBU-UHFFFAOYSA-N 457.504 2.405 10 20 JECD COc1ccc(OC)c(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919730291 SLLISMNKLKSJPK-UHFFFAOYSA-N 487.557 2.438 10 20 JECD C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3cc(NS(C)(=O)=O)ccc3O)cc2)C1 919815763 ARSLRLHVMPJMCD-OAHLLOKOSA-N 481.596 2.114 10 20 JECD Cc1ccc2c(c1)C(=O)N(CC(=O)NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)C2=O 919855174 HSCZXCQOIIYWPC-UHFFFAOYSA-N 488.523 2.163 10 20 JECD C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccc(N2CCOCC2)cc1 920880707 MSCLEJLKSZTFMP-GYCJOSAFSA-N 454.502 2.307 10 20 JECD COC(=O)/C=C/c1ccc(N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 931374195 KJBYTIFTOAQWQQ-XBXARRHUSA-N 490.494 2.419 10 20 JECD CCOc1ccccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1780320135 VHLGHDQVOGYCPA-WZONZLPQSA-N 491.635 2.073 10 20 JECD Cc1cc(Br)sc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1780345879 IGDZCWKTLIBFPW-LJQANCHMSA-N 482.356 2.383 10 20 JECD CCOC(=O)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1 1782041228 HKAQXLIOFOHVNV-QTOANSKZSA-N 496.516 2.137 10 20 JECD O=C(CCc1c[nH]c2ncccc12)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1783212444 PWYVUAKQDCPLRY-KBMIEXCESA-N 479.537 2.129 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(F)c1)CCO2 1785509548 VGBPEOGABCPMLU-ZNSATWQLSA-N 474.460 2.167 10 20 JECD CC[S@@](=O)CCC(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792315124 FUXJYOVHASYJLZ-SSEXGKCCSA-N 467.638 2.140 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1-c1ccccc1)C2)c1cc(O)nc(O)c1 1796138672 LENMTVNKCGDFSM-FEJSZKPUSA-N 460.490 2.072 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(F)(F)F)cc1)C2)c1cc(O)nc(O)c1 1796139663 LZUHUYDHTKLRHH-ZSBFGKGUSA-N 451.401 2.029 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cccc2ccnn12 1796935062 RYTMROGFXZFRBU-PDFPEKILSA-N 456.506 2.379 10 20 JECD COc1ncc(Cl)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799767166 WRVRDGAOVXJUOB-DPIQGUFMSA-N 482.320 2.325 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNc3ccccc31)C2)c1cc(O)c(O)c(Cl)c1 1799770807 IZPLEJFFGYDFRK-IDLUEMFASA-N 457.914 2.164 10 20 JECD CC[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2)NC(=O)OC(C)(C)C 1800185658 JKNLULDHJWRSJN-WCXIOVBPSA-N 462.547 2.438 10 20 JECD CC(=O)Nc1ccccc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807999451 CIEUBXHSXDUTAX-UZUQRXQVSA-N 475.505 2.480 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCc2cnccn2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468969 HHIYJTLYKYKJOO-RXFWQSSRSA-N 497.559 2.303 10 20 JECD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)on1 1814161536 HOZDJQQCCPLMSE-WZMUZEJKSA-N 478.505 2.457 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCC3)[C@H]1c1cccnc1 1814163783 LVLUEMFGYKTSKJ-MWMWCICHSA-N 489.532 2.374 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)n1cccn1 1814165539 HIOGCSADPFWRBA-VVKOEQFZSA-N 477.521 2.375 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc2ccccn2n1 1818504535 CDLHBABIIHNPKI-INIZCTEOSA-N 483.579 2.224 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)C2CC(F)(F)C2)[nH]n1 1823497730 YSCGGGDLJKSQEJ-GFCCVEGCSA-N 457.528 2.307 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2nnsc2C2CC2)[nH]n1 1823498614 RAFUXKFXEJOSJU-LBPRGKRZSA-N 491.624 2.305 10 20 JECD COc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)nn1C 1823712350 HQCVNDKEAODEKP-SNVBAGLBSA-N 477.930 2.489 10 20 JECD CCN(C)[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1824464524 NABSVGBJEKRGQK-POAKRYCBSA-N 460.556 2.226 10 20 JECD O=C(COc1ccccc1F)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1825466020 QIRIJGPERYKFEE-NSHDSACASA-N 494.595 2.134 10 20 JECD CCc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cn1 1828239727 FGFMDUQOMHCJTK-ZDUSSCGKSA-N 475.621 2.187 10 20 JECD O=C(/C=C/c1cccs1)N1CCOC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1836526047 KQXWCVCQIBSVPR-DRUWVYPFSA-N 494.573 2.011 10 20 JECD CN(C)C(=O)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1838032181 DWTSLLZPKJDDNS-UHFFFAOYSA-N 496.564 2.121 10 20 JECD CCN(C)[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838720193 DHXBGJQSMTZJBH-JKNJVXJCSA-N 475.586 2.155 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433192 OZOPAORGHQGBOX-FYSMJZIKSA-N 489.956 2.095 10 20 JECD Cc1cnn(CC(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)c1 1843331294 GLRXWMQSFZYGIO-OAQYLSRUSA-N 496.612 2.113 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)/C=C/c2cnc[nH]2)C1 1846532434 XGZQERIQIPOHEM-LCCNJJIFSA-N 494.596 2.345 10 20 JECD COc1cc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)ccc1Br 1847054872 VZFLYZGTMUMCKG-UHFFFAOYSA-N 498.424 2.135 10 20 JECD COc1ccc(N2CCCN(C(=O)c3ccc(OC)c(S(=O)(=O)NC4CC4)c3)CC2)cc1 108577561 PMMAVRVBJYFBSQ-UHFFFAOYSA-N 459.568 2.497 10 20 JECD C[C@@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(N2CCOCC2)cc1 109179364 QPPWYMLHRNYXDF-GOSISDBHSA-N 459.568 2.035 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)cc1 758169620 JMMIVMYMZBNYPO-UHFFFAOYSA-N 472.611 2.177 10 20 JECD Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 788145603 BLKLPDKEPTZDKV-UHFFFAOYSA-N 492.509 2.231 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 915393823 DXTJXWJUWRAORA-HXUWFJFHSA-N 473.595 2.355 10 20 JECD CC(=O)N(c1nnc(SCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1)C1CC1 917207142 YTUWFNLZUHYAFD-UHFFFAOYSA-N 465.576 2.438 10 20 JECD CC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 918283737 PDDYVLNTAYHPBS-UHFFFAOYSA-N 456.518 2.446 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3Cn3cncn3)cc2F)C[C@H](C)O1 918287039 NBZBPUUJDKQQLH-IRXDYDNUSA-N 466.517 2.334 10 20 JECD CC(C)(C)NC(=O)CNC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 918850638 QZKOGFVIVIMQHS-UHFFFAOYSA-N 456.882 2.303 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccccc1CN1CCOCC1 919664416 BWHOCVZOEJPIAK-UHFFFAOYSA-N 454.596 2.327 10 20 JECD COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(O)c1 1780324510 AFPCCVKMDHZNBZ-AZUQIVAKSA-N 498.532 2.359 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cn[nH]c1)C2)c1cc(O)c(O)c(Cl)c1 1781119754 YUXVKVDUZOPLST-XMSQKQJNSA-N 462.934 2.235 10 20 JECD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781121838 BNWFUHBEBXIKBT-CGROQTEOSA-N 489.960 2.169 10 20 JECD Cc1ccc(CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c(C)n1 1782421768 SUTKSAONPKOUHY-CJFMBICVSA-N 468.554 2.265 10 20 JECD C/C(=C\c1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510561 PQVJKXRHXBFKQX-WLUFRXNBSA-N 465.506 2.145 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)nc1 1790243325 HXHRJXIVGZKJNZ-ODYMNIRHSA-N 461.902 2.062 10 20 JECD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c(C)n1 1796482768 XZNWXQGUCPVURF-VSVJTWGKSA-N 489.576 2.014 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cncc2cnccc12 1798458130 HGPLGSZHHQBMRK-YVWYUNDQSA-N 468.897 2.211 10 20 JECD CC(C)(C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1803081311 JHVJHASJOAZVSZ-MUSRZPKOSA-N 469.538 2.325 10 20 JECD Cc1ccncc1CCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1804556080 TWILXNDXRPKSJD-XXBNENTESA-N 497.646 2.284 10 20 JECD O=C(CN1CCSCC1)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1804814864 GERGFTWIWHSLEP-UHFFFAOYSA-N 483.638 2.059 10 20 JECD COc1cnc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(F)c1 1805082874 UXJAKEJGXLTKKJ-QKKBWIMNSA-N 467.457 2.064 10 20 JECD Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)nc1C 1805137707 LTSMAMJEXYUNHE-DYESRHJHSA-N 483.619 2.273 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)[C@@H]3CCc4ccoc4C3)C2)CC1 1805706811 ZUZXLQAUYHCVPL-QGZVFWFLSA-N 475.636 2.476 10 20 JECD Cn1cnc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1C(F)(F)F 1807993020 FZKONBMLRNLEJK-FZKQIMNGSA-N 490.442 2.274 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1808431043 FMYAVRDJWOHHQT-OWDMVUQNSA-N 474.945 2.333 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccncc2O)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808467982 LXKSUOPWFZFPGK-MHECFPHRSA-N 484.516 2.295 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2cnccc2n1 1809147527 RKSHKZLRMSVXSL-UZUQRXQVSA-N 470.489 2.464 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1n[nH]c2ccccc12 1809828151 OJUGWGLZPRPCGO-IVZQSRNASA-N 458.478 2.398 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(Cl)cc3nn[nH]c13)CC2)c1cc(O)nc(O)c1 1816727332 ONOKBCSVZKVBLW-SNVBAGLBSA-N 485.913 2.414 10 20 JECD N[C@@H](Cc1cccnc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1817189513 AQGHEDPUYGUHIZ-ZFWWWQNUSA-N 487.969 2.399 10 20 JECD Cc1nnc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)o1 1817534492 DNFLGRYJHCWAHY-SFHVURJKSA-N 476.497 2.129 10 20 JECD Cc1noc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)n1 1817570444 GLMJLKCQUUBSTL-VFADXPBXSA-N 468.470 2.166 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cc2cc[nH]n2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818148001 UKBORTKFGRVCOE-LJQANCHMSA-N 460.498 2.161 10 20 JECD CC[S@@](=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1819263052 HSLGZSMCWJVXQF-TYFQNXAESA-N 484.582 2.353 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cnc2snnc2c1 1820151510 UNZYVDRHGAZSHD-AWEZNQCLSA-N 466.483 2.235 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccncc2=O)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821294603 MDDDLCZKCWRETJ-HNNXBMFYSA-N 472.889 2.037 10 20 JECD COc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc1 1828247019 NCTXVQYCFGZHRG-LBPRGKRZSA-N 476.605 2.238 10 20 JECD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1)n1cnnn1 1830740526 KQCPYKYJDTXZTO-CXAGYDPISA-N 462.938 2.232 10 20 JECD COC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1831632657 SJFMDONFVKBQBB-AFMDSPMNSA-N 469.582 2.447 10 20 JECD O=C(CCc1cccc([N+](=O)[O-])c1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833644995 DUHAFWGBBJYSKB-UHFFFAOYSA-N 497.552 2.219 10 20 JECD C[C@@H](Cn1ccnc1)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838807601 LXYLCOHTWFRBNP-YZTRRJNXSA-N 498.580 2.348 10 20 JECD CC(C)(C)n1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)n1 1839431755 LMSOCNFNRHCLKE-HSZRJFAPSA-N 492.960 2.087 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3ccoc3Cl)C2)C1 1839433951 ZBGCAKWEKRCLAS-HXUWFJFHSA-N 471.293 2.381 10 20 JECD CN(C)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 15451886 YHLQQTDSVHBYFF-UHFFFAOYSA-N 457.021 2.090 10 20 JECD CCOc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(C(=O)O)c2)cc1OCC 728014920 KBBJGPYECXFGCK-UHFFFAOYSA-N 458.514 2.355 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 729498425 LOMPHRNOAIFUAH-FQEVSTJZSA-N 476.574 2.315 10 20 JECD COc1ccc(N2CCN(C(=O)CNc3cccc(C(=O)N4CCC[C@H](O)C4)c3)CC2)cc1 750875141 MPLVKEWOUUORSC-QFIPXVFZSA-N 452.555 2.053 10 20 JECD COC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 912520482 AXJUYTRCFQKIKV-UHFFFAOYSA-N 495.495 2.015 10 20 JECD C[C@H](OC(=O)CCCN1C(=O)CCC1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 915555987 FOVYXJXZAFGQFV-AWEZNQCLSA-N 462.458 2.261 10 20 JECD C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)C1 918219294 IBXNKQYTGNQLCD-BGYRXZFFSA-N 489.636 2.119 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)C1 918462648 DWBKAYZLORHGEA-CQSZACIVSA-N 459.890 2.205 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cc(C(N)=O)c4ccccc43)cc2F)C[C@@H](C)O1 919567794 AFVQCMXPELLRJO-IAGOWNOFSA-N 496.539 2.353 10 20 JECD O=C(Cn1cnc2sccc2c1=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919697985 PZORKPVOMYJKTP-UHFFFAOYSA-N 479.541 2.030 10 20 JECD Cc1c(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cccc1C(=O)N1CCOCC1 919775933 BHUYHFBOFDQPPH-HXUWFJFHSA-N 479.581 2.491 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 919790183 PUOUNAUPOAAVDC-UHFFFAOYSA-N 452.555 2.322 10 20 JECD CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n(C)c1 919971235 MQUKBFHLRAUUQI-UHFFFAOYSA-N 466.579 2.086 10 20 JECD Cc1ccc(-n2nc(C)cc2NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 920636745 ZOXUUXWZHOTXOS-UHFFFAOYSA-N 458.496 2.362 10 20 JECD Cc1cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c(C)n1-c1ccccc1Br 921165385 GTMJEGVDJHQOSW-UHFFFAOYSA-N 483.432 2.164 10 20 JECD Cc1cccc2c(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)c4cc(O)nc(O)c4)C3)n[nH]c12 1777850583 IYEMAWGTBFLEAT-MZNJEOGPSA-N 465.510 2.119 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(-c3cnccn3)c1)C2)c1cc(O)nc(O)c1 1777851070 NPNCCZPGYHQSFP-QFQXNSOFSA-N 489.532 2.391 10 20 JECD Cc1nccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)n1 1778309722 OJNBJDXURVVKAZ-XMSQKQJNSA-N 460.918 2.291 10 20 JECD Cn1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1C(F)(F)F 1782005605 QYEGZOOFLLPNFQ-LJQANCHMSA-N 488.850 2.261 10 20 JECD Cc1cc(F)ccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1783070984 OMLJKUOKWWUMEE-VGOFRKELSA-N 479.599 2.122 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)CCc3ncc[nH]3)CCC2)cc1 1792316336 ZYJZGPBMPBQDDG-UHFFFAOYSA-N 457.581 2.337 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cccc(Cl)c3c1)C2)c1cc(O)nc(O)c1 1796140892 FNYZRBYISGRXKP-USGNIVHTSA-N 468.897 2.211 10 20 JECD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)n(-c2ccccc2)n1 1796926981 ABABTDOHSDFZBO-VBUUOAMHSA-N 483.619 2.293 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc(-c2cc[nH]n2)cc1 1799696667 VWJDPKOWIZXXEF-NXKWYNOOSA-N 498.543 2.073 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1802979284 PJXZVOUXBOFGEN-ZWGCQNANSA-N 453.495 2.317 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1ccc2c(c1)CNC2=O 1804286187 NWSXURLAYRLJTM-KJZRSFJVSA-N 463.490 2.012 10 20 JECD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804291607 PNBAUWVFYCMHSG-QFKAIBRUSA-N 470.522 2.210 10 20 JECD Cc1ccc(C)c(OCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c1 1804331055 NSZJMIFRAHBYAK-BJWYYQGGSA-N 461.609 2.181 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3cccnc3[nH]2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995168 DJMALVMLOPHAPE-IIBYNOLFSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cnccn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811797796 WLPJGFUOKLBHAH-QVKFZJNVSA-N 467.913 2.499 10 20 JECD O=C(CCc1cccc(O)c1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1813184491 KFNUWKUJWGFAQJ-JPYJTQIMSA-N 498.630 2.286 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cocn2)[C@@H]1c1cccnc1 1814162862 SLHHJDJRCPSILQ-CVTZPFNJSA-N 450.451 2.219 10 20 JECD CC(C)n1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)n1 1814189389 GOQXSKYLWITYPU-JXFKEZNVSA-N 486.623 2.039 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cc3ncccc3[nH]2)[C@@H]1c1cccnc1 1814190228 UGBJJRJSZGTYRG-QVKFZJNVSA-N 494.602 2.138 10 20 JECD Cc1nnc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)s1 1815575255 MEJFGSZAVYOUNC-ZDUSSCGKSA-N 495.590 2.251 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCOC1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817366778 GFTZZRRAAMTTHQ-HUUCEWRRSA-N 467.551 2.275 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3Cc4ccccc4O3)sc2C1)c1cc(O)nc(O)c1 1818778415 QBEHKSVDJIXNEG-XJKSGUPXSA-N 452.492 2.179 10 20 JECD CN(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1826708324 BCMPMHGDWPVVFO-QFIPXVFZSA-N 453.587 2.351 10 20 JECD C[C@H](Oc1cccnc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1826885675 DMLDJCWUGIEVIM-AAEUAGOBSA-N 455.496 2.038 10 20 JECD Cc1nn[nH]c1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877602 UDYYJBIZIFMOSL-DBWMJRBXSA-N 455.515 2.177 10 20 JECD O=C([C@@H](O)Cc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899917 NXWQPRVIDLETFO-UXHICEINSA-N 489.663 2.070 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)CC1 1838292608 IYBUBYCXUCYPJX-UHFFFAOYSA-N 493.573 2.188 10 20 JECD C[C@@H]1CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CN1C(=O)OC(C)(C)C 1841034321 NFEGWSHMJIWWFK-HZPDHXFCSA-N 474.558 2.345 10 20 JECD COCC1(C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)CC1 1843331047 YPMREYVMGDDDIM-HXUWFJFHSA-N 486.613 2.335 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1846960458 GFMWRZCVBJKJRR-UHFFFAOYSA-N 453.923 2.483 10 20 JECD Cc1ccc2[nH]cc(CC(=O)N3CC4(CCCN4C(=O)CN4C(=O)CSC4=S)C3)c2c1 1847056551 JYXQCTOUFJRNDO-UHFFFAOYSA-N 456.593 2.083 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3cc(NS(C)(=O)=O)ccc3O)cc2F)C[C@H](C)O1 115734829 BFHVINMYTXUKHL-KBPBESRZSA-N 451.520 2.446 10 20 JECD CC(=O)N1CCN(c2ccccc2CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 726104244 YYHLAPWKEOQMTM-QHCPKHFHSA-N 492.624 2.056 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)c1 728981536 CGNFOUCTYWVTBT-XJKSGUPXSA-N 460.508 2.215 10 20 JECD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 729041816 NKQLENWANPHNNA-SFHVURJKSA-N 485.610 2.493 10 20 JECD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 745268001 WWPKTGIFDJELFU-FQEVSTJZSA-N 495.580 2.191 10 20 JECD COc1ccc(N(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CC(C)C)cc1 746170790 WEGSREWXVPHVGM-UHFFFAOYSA-N 475.611 2.495 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3cc4c(=O)n5ccccc5nc4n3C)CC2)cc1 843443690 LBZJHAIQETURDA-UHFFFAOYSA-N 474.565 2.137 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NC[C@H]1CCS(=O)(=O)C1 914454076 OSSDKWLNILBGKR-AISSWFOISA-N 489.438 2.201 10 20 JECD Cc1cc(C(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)c(C)n1-c1ccccn1 914903914 USCLOZFSVLPTTQ-UHFFFAOYSA-N 487.516 2.020 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 917707445 GRJYYKOVHKAURA-SFHVURJKSA-N 467.497 2.367 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2)C1 918029543 BAXCWVZRGCBQML-IBGZPJMESA-N 465.554 2.182 10 20 JECD CCNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 918286831 KSRCEFFYDFWPCK-HZPDHXFCSA-N 456.518 2.444 10 20 JECD CCn1cnnc1-c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 918442430 HBNJGTHBYRYCSO-UHFFFAOYSA-N 462.554 2.429 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)CC2)cc1 918462559 XFRDKFHZGJUYSS-UHFFFAOYSA-N 465.959 2.430 10 20 JECD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3cc4c(c(C(=O)O)c3)OCCO4)cc2F)C[C@@H](C)O1 919729615 XGTVBWOYOBDAMQ-ZIAGYGMSSA-N 480.514 2.387 10 20 JECD C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1ccc(N2CCOCC2)cc1 920889956 GJRRZAAEBDTJKG-HNNXBMFYSA-N 453.511 2.347 10 20 JECD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCN(C(=O)N2CCOCC2)CC1 1318177145 IGYCFTPVITZXBF-UHFFFAOYSA-N 467.517 2.036 10 20 JECD CN(C)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)c2ccccc12 1777811991 GJXXMIOXAQOMMT-SANMLTNESA-N 476.533 2.469 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1780795136 VGHGAPUDLPBAQJ-SWWFSWNPSA-N 455.511 2.088 10 20 JECD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1)c1ccc(O)cc1 1781261570 YNBMPCRSGMOQQL-WXTAPIANSA-N 476.533 2.119 10 20 JECD COc1c(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)ccc(F)c1F 1781845379 DELHLTQGRLZYSR-CMEAPCDJSA-N 490.459 2.247 10 20 JECD Cc1cccc(/C=C/C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)n1 1783502060 RXJSCMQOVSRLJB-JUYNTEHFSA-N 487.560 2.176 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1cccc(-c3ccccc3)n1)CCO2 1785539338 AWEBKXYALHFYEZ-DEOSSOPVSA-N 496.614 2.052 10 20 JECD O=C(CCc1ccccc1Cl)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1786604191 ZSJIGAAZZYHKLZ-BQFCYCMXSA-N 496.054 2.113 10 20 JECD CCCC(=O)Nc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)cc1C 1787295405 NKPHAKQCECLWKP-CUWPLCDZSA-N 496.564 2.447 10 20 JECD CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)CCCC1 1787538827 OTVIIGPFXKWOPQ-CUWPLCDZSA-N 452.555 2.339 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Cl)s1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480670 OMSBCBYUAZFVOU-YEZVWNJWSA-N 486.981 2.327 10 20 JECD CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(O)nc(O)c3)C[C@@H]2C1 1796602369 ANKMUMPLLRIMLV-HAGNESBASA-N 486.569 2.392 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(CO)on2)cc1 1798733006 TZBPBFITISSAEA-BBIADKPPSA-N 464.522 2.091 10 20 JECD Cc1ccc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)s1 1802082207 AOTWSDHKBQUXOB-JIQKMVPJSA-N 470.547 2.490 10 20 JECD Cc1c(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cnn1C 1805932319 HRNRHMZTOJDDTL-XZSBDORCSA-N 477.521 2.273 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807993127 DLAZNPVKZPEEBK-CDXJDZJCSA-N 497.552 2.217 10 20 JECD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808465489 WDBCYDNFQKUHRR-QOYWPIMFSA-N 477.565 2.287 10 20 JECD Nc1nc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cs1 1808467714 JQDRHLPGPPFEHZ-IERDGZPVSA-N 489.561 2.233 10 20 JECD CCc1cc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n[nH]1 1808468797 YCVHNRGAFXGSNE-HOYKHHGWSA-N 485.548 2.480 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cnoc1 1808528836 DCEWHGGBXSDCOX-PEOKUMBASA-N 450.451 2.219 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccc2nccn12 1812174000 BCKHKUBFPOXGIG-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cncc(O)c1 1812914960 PKRVDBNHEMYDAJ-YEUXVMMMSA-N 476.489 2.332 10 20 JECD O=Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1814185365 BQFYBPCCVWHWFP-AUUYWEPGSA-N 488.616 2.136 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)[C@@H]1c1cccnc1 1814186072 WUTPKAQPJPIQNQ-OXFYSEKESA-N 458.609 2.304 10 20 JECD Cn1ccnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1816553744 UZMVWJKNKUMUDJ-VFADXPBXSA-N 452.471 2.279 10 20 JECD O=C1CCc2ccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)nc2N1 1817810666 RPKVAVBNHKOHOT-INIZCTEOSA-N 477.481 2.115 10 20 JECD Cn1ncc2c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CN4C(=O)CSC4=S)[nH]n3)cccc21 1818767919 FVYHVJZAYBSOHT-QGZVFWFLSA-N 497.606 2.463 10 20 JECD COc1nc(C)ccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1819926329 QPXHAEQXKXVIMZ-OAHLLOKOSA-N 488.595 2.288 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)ccc2F)[nH]n1 1823499361 AVNYTIWNMWHVBP-OAHLLOKOSA-N 477.543 2.421 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823500022 KKEJOHLQRJKXIP-DZGCQCFKSA-N 487.611 2.158 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)CC1 1825383210 OHEPGFDIRNONGB-FHVRUZERSA-N 467.522 2.384 10 20 JECD Cn1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)cccc1=O 1827715208 QJCJHNYLKSIXGK-QFIPXVFZSA-N 489.576 2.412 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716939 ZYXSCLQTWKNHCW-GCJKJVERSA-N 496.612 2.107 10 20 JECD CCOC(=O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1828217875 GXOOFMKATHHAQF-PPOCWRSBSA-N 489.550 2.475 10 20 JECD Cc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc1 1828242860 SPNZHFJKGCFRKI-AWEZNQCLSA-N 474.633 2.467 10 20 JECD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)n1ccnn1 1832878663 YDPPWADMUIAWMT-ZEWDCPDSSA-N 469.542 2.289 10 20 JECD CCn1nc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cc1C 1832900564 IPVVJQULFJPHJU-GOSISDBHSA-N 477.656 2.305 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1ccccn1 1834129298 QCHBEXLLLKSXQI-FNORWQNLSA-N 466.538 2.097 10 20 JECD O=C(CCCCn1cccc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1837624334 IGFFNUQQQUNNHC-DEOSSOPVSA-N 491.972 2.493 10 20 JECD COc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1 1839435021 BUHGAQNPJCYYIY-QHCPKHFHSA-N 494.903 2.283 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 1847612762 USGGPRFKSUJHAA-OMNBBPDLSA-N 465.547 2.130 10 20 JECD COc1ccccc1CN1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 728055993 VWGVBHVFAWXVFA-UHFFFAOYSA-N 456.562 2.105 10 20 JECD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 729041815 NKQLENWANPHNNA-GOSISDBHSA-N 485.610 2.493 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(C(N)=O)c3)cc2F)C[C@@H](C)O1 918286508 INWHURMPOQCSIK-BETUJISGSA-N 462.909 2.447 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C3=NN(c4ccccc4)C(=O)[C@@H](C)N3)cc2F)C[C@@H](C)O1 918633027 ITPPTGQMCPUVMS-BRWVUGGUSA-N 453.518 2.394 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cn(-c4ccccc4)nn3)cc2F)C[C@H](C)O1 919085954 OIWWUUOGIZIHBF-IRXDYDNUSA-N 467.501 2.493 10 20 JECD C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)CS2 919697979 PWFZVFBTGLNHJZ-XXBNENTESA-N 470.574 2.013 10 20 JECD COc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1S(=O)(=O)NC(C)C 919970903 IMVXGCSCQFTPPH-UHFFFAOYSA-N 479.574 2.412 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)C1 920317433 ZSORJCZCXLXBGK-CQSZACIVSA-N 452.920 2.428 10 20 JECD COc1ccc(C(=O)NC2=S=C(C(=O)Nc3ccccc3N(C)S(C)(=O)=O)C=C2)cc1 1127038128 NWETXUAGQCLUDA-UHFFFAOYSA-N 459.549 2.065 10 20 JECD O=C1CCc2cc(S(=O)(=O)Nc3nc(-c4cccc(-n5cnnn5)c4)cs3)ccc2N1 1338377558 FGIDAABGDFCALW-UHFFFAOYSA-N 453.509 2.471 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1ccc2ccoc2c1 1781290979 YHOJAEZWWIWDSD-WZONZLPQSA-N 487.603 2.421 10 20 JECD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007546 HHEYXHFDUHCXCR-NRFANRHFSA-N 477.857 2.122 10 20 JECD Cc1ccc(C)c(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)CCO3)c1 1783290050 QLUHFMNYYUOPIH-HHHXNRCGSA-N 474.561 2.469 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)c3ccccc3o1)CCO2 1785503218 CUEIONWOHOYCKL-AQBQYSGMSA-N 492.484 2.067 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccs3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537267 KLLMFIFEOQNJGL-XJABCFGWSA-N 480.590 2.453 10 20 JECD CC(C)(C)n1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)nn1 1790244208 UNOXUWRKSZBMEN-YEWDVWPNSA-N 477.949 2.005 10 20 JECD CC(F)(F)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1793467447 JPYARKKZSDDSRI-SENIXGGLSA-N 454.470 2.088 10 20 JECD COc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1OC 1793897337 WGBDOAIZEXBREW-BJWYYQGGSA-N 491.635 2.135 10 20 JECD COc1cncc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1794325414 RLQLYJRLRCBFAP-NUZGMZIFSA-N 475.549 2.454 10 20 JECD N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cccc(Cl)c1 1795627172 ANFLGXBNPRSPQC-FTUNRGFVSA-N 480.348 2.308 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1798645946 IFNJQZVZYZIJEU-XEYPJELSSA-N 460.538 2.313 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOc1ccccc1)C2)c1cc(O)c(O)c(Cl)c1 1799770817 JRWKGZSHMFRJAY-VPTLXERWSA-N 460.914 2.424 10 20 JECD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)nn1C 1803288838 FWFYQQXSQVTGPN-IBVKSMDESA-N 499.575 2.165 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CC1 1804585920 MAFBQPVKFABYMN-GGPHIMKMSA-N 495.580 2.475 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cnc(-c2ccccn2)nc1 1804796263 JHJDDFGECWPOQQ-GAJHUEQPSA-N 497.515 2.373 10 20 JECD Cc1nccn1CCCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807997852 FNSWRYMXQRWBOO-FDDCHVKYSA-N 464.526 2.193 10 20 JECD Cn1ccc(CC(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)n1 1810092201 FPXFLRRCXAOJCO-GQCTYLIASA-N 454.527 2.024 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)no2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811805855 DWDORROCIAVKID-XIKOKIGWSA-N 458.858 2.473 10 20 JECD O=C1Cc2cccc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c2N1 1812209223 BWOFCFFAHRETNH-MWTRTKDXSA-N 473.489 2.016 10 20 JECD CC(C)n1cnc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1814164370 ZJRZWAJTHYKKAJ-GLCUETTDSA-N 492.536 2.404 10 20 JECD CC(C)c1nc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)no1 1815814505 GALOWHHLHWIKFT-AWEZNQCLSA-N 455.475 2.271 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1cnsn1 1816167960 APRVJNRTEVBJQA-DYLGSBMWSA-N 456.484 2.397 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cncn1-c1ccncc1)CC2)c1cc(O)nc(O)c1 1816720870 BXLDRHVIZUQBAB-CYBMUJFWSA-N 477.506 2.070 10 20 JECD Cc1onc(-c2ccncn2)c1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816726988 ARBLERUUZRDCIK-GFCCVEGCSA-N 493.505 2.242 10 20 JECD CC(C)n1cnc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)n1 1817691376 LPRZLFDWOGZQBP-FLUIGGAXSA-N 484.538 2.372 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cn3ccsc3n2)[nH]n1 1823500080 MNLSRMZKLRWELO-CYBMUJFWSA-N 489.608 2.285 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC2)c1cc(O)c(O)c(Cl)c1 1823711261 YAWMKLYPJDWTOH-QMMMGPOBSA-N 478.874 2.379 10 20 JECD COc1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1825905970 SLDWULSGTNQCSV-QGZVFWFLSA-N 476.624 2.184 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1826905303 ZICUZJWXPQFPIC-LPHOPBHVSA-N 489.667 2.362 10 20 JECD O=C(Cc1cscn1)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1834842106 YFZKRPPCASRTLN-DUXPYHPUSA-N 486.594 2.087 10 20 JECD CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cn1 1839431862 RINUILPFBMGJOB-QHCPKHFHSA-N 492.960 2.087 10 20 JECD CC(=O)c1ccc(OCCCC(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)cc1 1843248665 CBOYGKCUIUZFLG-UHFFFAOYSA-N 453.495 2.372 10 20 JECD O=C(Cc1cc(Br)ccc1O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250512 HMKZPYXYTFANCG-UHFFFAOYSA-N 462.300 2.021 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2ccc(N3CCOCC3)cc2)C1 1843449204 XAMNWZUCYHAYRG-WEVVVXLNSA-N 479.533 2.170 10 20 JECD O=C([C@H]1CCc2ccccc2O1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037396 NACWOWDKAKPIDK-OJLWIZQOSA-N 450.491 2.414 10 20 JECD C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)C1 731223110 VNJGXFRGRROSKO-IFMALSPDSA-N 457.619 2.045 10 20 JECD C[C@H](NC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1)c1ccc(N2CCOCC2)cc1 748472557 YRKIAMNDAJCQRV-KRWDZBQOSA-N 456.518 2.315 10 20 JECD Cc1nn(C)c2ncc(C(=O)OCC(=O)c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)cc12 818699961 OHZQQBHQUVHZAG-UHFFFAOYSA-N 481.534 2.371 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2F)C[C@@H](C)O1 917708645 DHNUWXHEUZTCPR-QZTJIDSGSA-N 491.585 2.390 10 20 JECD Cc1ccc([C@@H](CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)N2CCOCC2)o1 918118874 VRCLLVLINUWTPK-RBBKRZOGSA-N 469.586 2.162 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)cc2F)C[C@@H](C)O1 918220023 GNCAOUHMJNJUSL-JFIYKMOQSA-N 456.584 2.053 10 20 JECD COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)OC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 920638278 SVTHELPRTFNFSO-OLZOCXBDSA-N 466.512 2.204 10 20 JECD C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)c1ccc(N2CCOCC2)cc1 921028280 WOFXKYKUAGUDGV-INIZCTEOSA-N 464.613 2.080 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(C(F)(F)F)[nH]1)C2)c1cc(O)nc(O)c1 1777850715 GBNSBCKAVKBJFM-FOIQADDNSA-N 468.432 2.281 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCN4CCOC4=O)CCO3)C2)cc1 1781753179 GDBCHHKPILZLLE-SANMLTNESA-N 480.565 2.380 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ccc(F)cn13)CCO2 1782009059 PNQWWAGAAFCOLB-JOCHJYFZSA-N 474.876 2.295 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1n[nH]c(C2CC2)c1F 1785766395 OBLTVTZMSVOVOP-RBOXIYTFSA-N 478.908 2.398 10 20 JECD Cc1cccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1 1787539096 NTCRVHSWEOVHCS-SSPYTLHUSA-N 474.561 2.310 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2)c1cc(O)nc(O)c1 1796137573 LDMYDQZDBPVREE-PNUKLQRASA-N 457.914 2.153 10 20 JECD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1)[S@](=O)c1ccccc1 1799768377 VNXPZYPKBZXEDE-DTMRKAIASA-N 492.981 2.151 10 20 JECD O=C1CCc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)cc2N1 1800100921 FSUBYIVTAUOHLP-VPTLXERWSA-N 485.924 2.153 10 20 JECD COc1cc(C)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1 1802079432 IZQNAPZPDYPAKI-OFZGJKQNSA-N 468.506 2.037 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)[C@@H]1CCC(F)(F)C1 1802406278 NOENTBPKNMYUAU-XUWXXGDYSA-N 482.578 2.383 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cccc2nscc12 1804336289 OFYCAURXBNEVQO-CLLJXQQHSA-N 460.606 2.408 10 20 JECD C[C@@H]1[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)CCN1C(=O)OC(C)(C)C 1804630948 BHICCRJETXPHIA-SOVHRIKKSA-N 474.558 2.390 10 20 JECD COc1cccc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1807991190 NMSWJEPPDQQYJI-HOYKHHGWSA-N 462.506 2.459 10 20 JECD Cc1nc2ccccn2c1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807995152 CTTWAAHLPNAVSF-SBUREZEXSA-N 472.505 2.477 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803353 IDGCWYPEFCFQTI-XIKOKIGWSA-N 457.874 2.208 10 20 JECD CC(=O)O[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)C(C)C 1817362057 PSEZTZULHUJHLG-YCRPNKLZSA-N 497.577 2.436 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C3CCC3)C2)C1 1829037472 LVKIXSBKAQMLML-SANMLTNESA-N 494.548 2.359 10 20 JECD O=C(NCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)c1ccco1 1832877562 QXGPHBMGOBCUSM-QRBZPYHOSA-N 497.548 2.459 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC=CCC1)CCO2 1839128557 RGTMERJBXWUHLT-OYHNWAKOSA-N 450.919 2.178 10 20 JECD CSCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839432479 PVCFTTGVYVAMMV-NRFANRHFSA-N 472.991 2.210 10 20 JECD O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056981 YPFFHOZQLCXFFD-UHFFFAOYSA-N 471.526 2.312 10 20 JECD COc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc(O)c(O)c2O)cn1 1848105823 NWTVEPHTFNAQDK-CGNNYBMUSA-N 453.495 2.055 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)NCc3cccc(NC(=O)N4CCCC4)c3)nnc2n1 108882458 BNUVBYYQIOXHTE-UHFFFAOYSA-N 498.617 2.419 10 20 JECD O=C(NCC(=O)N1CCc2ccccc21)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 726236784 NTKPDEHBTCRBOB-UHFFFAOYSA-N 489.555 2.331 10 20 JECD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 747012439 XIXHEBMXPAZWPB-UHFFFAOYSA-N 492.573 2.330 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 789754205 DIPMRBAEGWFBKO-UHFFFAOYSA-N 460.600 2.256 10 20 JECD O=C(COC(=O)CN1C(=O)COc2ccccc21)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 806905170 CZNQLYYWYQTGAN-UHFFFAOYSA-N 470.437 2.369 10 20 JECD CC(=O)N1CCC(NC(=O)COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 913360380 JPASXGAALNOARI-ATVHPVEESA-N 495.648 2.400 10 20 JECD CN(C)c1ncccc1CNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 915293813 GQOPPQKITHGBHP-UHFFFAOYSA-N 471.495 2.492 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCC(C(=O)N(C)C(C)C)CC3)CC2)cc1 916196797 PDLUEKOHFYIKNQ-UHFFFAOYSA-N 459.635 2.496 10 20 JECD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(N4CCCC4)c3)cc2)CC1 917697611 CGKFPNHLUCBYLE-UHFFFAOYSA-N 456.568 2.392 10 20 JECD COc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C(=O)N(C)C)cc1OC 918295225 OTXWABRUVSYORV-QGZVFWFLSA-N 485.537 2.258 10 20 JECD Cc1c(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cccc1C(=O)N1CCOCC1 919793745 ACPGYRVJMFXGJA-UHFFFAOYSA-N 482.606 2.276 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)c2C)cc1F 920606302 ZGLWCJYWZWUXSU-UHFFFAOYSA-N 480.496 2.470 10 20 JECD CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 920881841 QRLLAMLSFBUPTJ-SFHVURJKSA-N 461.584 2.468 10 20 JECD CCCCN(C)S(=O)(=O)c1ccc(N/C=C2/C(=O)NC(=S)N(CC(C)C)C2=O)cc1 920980639 UALQTTPTLSXFMN-ATVHPVEESA-N 452.602 2.302 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)C(=O)CC3)C2)c1cc(O)nc(O)c1 1777852712 PYJVUDPVGBKNLG-CJFMBICVSA-N 465.506 2.063 10 20 JECD CSc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c1O 1780076418 DRCCSCSFZFKTSZ-UZUQRXQVSA-N 473.551 2.362 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc(O)c(F)c1 1780924047 JAXGVNYPNDONNH-WMXZDKKKSA-N 486.496 2.489 10 20 JECD O=C(Cc1c[nH]c2ccccc12)N1CC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1781007414 DCYZUUHYXWYXQW-HHHXNRCGSA-N 485.544 2.333 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)c1ccco1)C2)c1cc(O)c(O)c(Cl)c1 1781119566 OMKDCMCHSXMUDK-VGOFRKELSA-N 462.886 2.355 10 20 JECD O=C(/C=C/c1ccccc1Br)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1784091555 PDUIZMLMOMSAFJ-BDNZGDGKSA-N 488.338 2.412 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccoc3C1)CCO2 1785504121 XTQOETHKJUPPKQ-CDCUMVBOSA-N 468.506 2.045 10 20 JECD COC(=O)[C@@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1793106693 QMYKMWDEIGTZCY-SRRZTPNTSA-N 458.511 2.044 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1scnc1C1CC1 1794847017 LBJXHAUYQAIAOD-CLLJXQQHSA-N 450.611 2.133 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796602425 HSOQYPALZUSJIM-YVSFHVDLSA-N 460.531 2.144 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cnc(Cl)nc1 1796932132 PQPDCNNKOQLCNX-ACHSLPGTSA-N 452.902 2.175 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCc3sccc3C1)C2)c1cc(O)c(O)c(Cl)c1 1799767278 JTWJHCVULJEEIG-VPTLXERWSA-N 491.997 2.074 10 20 JECD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)cc(C(F)(F)F)c1 1799853012 QKTFMWLQOWSEED-HBCWATKFSA-N 481.427 2.037 10 20 JECD Cc1ccc(-c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CN3C(=O)CSC3=S)c[nH]2)cc1 1802104428 KPRZRJUHGCCNIR-OPMZPASUSA-N 498.630 2.054 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccnnc1 1805495320 SHVBAYAGYZZRPC-JEYNVIPUSA-N 461.478 2.021 10 20 JECD CC(=O)CCC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808467287 FITKUYKSGFXIBR-CYFREDJKSA-N 461.522 2.250 10 20 JECD C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)O1 1809559824 SFKGNPPLCIHBBG-IKBNZHKXSA-N 475.549 2.448 10 20 JECD Cc1n[nH]cc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1811486934 QXKRJKAHNTTXRB-MBSDFSHPSA-N 471.521 2.226 10 20 JECD COc1ccccc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1811729381 ZGNROSCYXDCQEM-IERDGZPVSA-N 484.603 2.270 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccsc2)[C@@H]1c1cccnc1 1814185497 CEOHKYZPCCJVKN-KBXCAEBGSA-N 460.606 2.323 10 20 JECD Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1814186770 WWPWTAJPXYOSCG-CVDCTZTESA-N 482.631 2.499 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814190021 OHXAQBVSSXBKQW-TVTNDZMWSA-N 498.630 2.415 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CNC(=N)N)sc3C2)cc1 1814826027 HKSSCAYNRDTYJV-MRXNPFEDSA-N 465.583 2.260 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(-n3ccnc3)ccn1)CC2)c1cc(O)nc(O)c1 1816727315 NOZRHISLRHOXIO-CYBMUJFWSA-N 477.506 2.070 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)ncn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818145690 CTJLTINWMBXRSJ-SFHVURJKSA-N 474.481 2.004 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc2cnccc2[nH]1 1819176111 LNUZHXWCYOBZBH-MRXNPFEDSA-N 483.579 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)CCN2CCCCC2)[nH]n1 1823497225 SJVLDPZQUYAQRK-INIZCTEOSA-N 478.644 2.138 10 20 JECD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)c1ccccn1 1823502048 ZZINTEUARYGERI-CZUORRHYSA-N 472.596 2.461 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3cccnn3n1)CC2 1828198375 YLTUWECGNRZYEK-GBVBUYCNSA-N 492.517 2.242 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3c[nH]nc3c1)CC2 1828242468 IHHKKQQWFFCPEB-LBPRGKRZSA-N 486.604 2.106 10 20 JECD CCNC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1828872522 QFYBYMJQSYYJBS-PGRDOPGGSA-N 496.612 2.107 10 20 JECD O=C(c1ccc(F)nc1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899975 AFCSOJIZKJIXCT-MRXNPFEDSA-N 464.588 2.314 10 20 JECD O=C(CCc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1834841471 BKHFIRWBSGVABB-DEOSSOPVSA-N 474.941 2.454 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CCOc3ccccc3)CC2)CC1)c1cc(O)nc(O)c1 1834988353 ZQYUCNKETNILCV-UHFFFAOYSA-N 468.554 2.147 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnsn4)C3)C2)cc1 1839348805 NAICMRQOUBXWMF-XMMPIXPASA-N 481.578 2.329 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CCO2 1840289783 MQHFHYFXUSBJHB-QZUMHUQMSA-N 494.544 2.077 10 20 JECD COC(=O)N[C@@H](C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)c1ccccc1 1847035000 QTCDAAWDKIQGPS-WAEYIKQSSA-N 481.505 2.117 10 20 JECD CCN(CC)[C@H](C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1)c1ccccc1 1847055216 MGHDKMNKOWBZBM-FQEVSTJZSA-N 474.652 2.133 10 20 JECD COc1ccc(N2CCCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)CC2)cc1 728207545 QSOANCAJZHLUIH-LJQANCHMSA-N 475.615 2.175 10 20 JECD CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1Br 729337900 MFFBZWUWHFKYLS-UHFFFAOYSA-N 482.400 2.466 10 20 JECD O=C(COC(=O)CNS(=O)(=O)c1ccccc1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 848390216 GMXQJTRJWNNWJY-UHFFFAOYSA-N 496.472 2.061 10 20 JECD C[C@@H](OC(=O)[C@@]12CCC(=O)N1CCS2)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 916532054 BHFFEADFDRIBID-OZAJXLCCSA-N 464.499 2.398 10 20 JECD CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 917380518 CEUUFLNCHNXCNF-UHFFFAOYSA-N 457.474 2.380 10 20 JECD C[C@H](OC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 917814007 IZIUSHDFIODGIE-PIHQWTFESA-N 498.491 2.139 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3Br)cc2)C1 918463862 NBHXMHNINCSQNA-HNNXBMFYSA-N 459.344 2.406 10 20 JECD Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919761887 RLQMXVNOSNPVSL-UHFFFAOYSA-N 489.559 2.246 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)nc12 920554179 JXLDUHCUZMMBDB-UHFFFAOYSA-N 466.410 2.277 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)n2)cc1 1325859269 DYLFZEMTOVYSAW-UHFFFAOYSA-N 471.564 2.437 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c(F)ccnc1Cl)C2)c1cc(O)nc(O)c1 1777848639 AMJVUKMTIXESIH-SPLOXXLWSA-N 464.881 2.122 10 20 JECD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1)n1cccc1 1778127626 UGSNWKLGUWJCOJ-KCVHQNEMSA-N 477.565 2.356 10 20 JECD O=C(CCCn1ccnc1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1782489265 FHIJZEDVUOYBIV-OOSRFHLNSA-N 484.553 2.007 10 20 JECD COc1ccc(F)cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1782932231 SQYNVMYDPYLXBI-WZONZLPQSA-N 459.474 2.082 10 20 JECD Cc1cnn([C@H](C)C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1 1783223092 VFROKZMXCHGGGJ-CYOFNOOJSA-N 484.553 2.097 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCCC4=O)[C@H]3C2)cc1 1786732150 XJLHJFBOQGQPAU-XWGVYQGASA-N 478.593 2.310 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cnc2ccccc2n1 1796778233 HOMOTYVUHQNVGJ-VTEUUUEMSA-N 468.897 2.211 10 20 JECD COc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)cn1 1796931158 QHDNEFCUURUOFW-NUZGMZIFSA-N 475.549 2.454 10 20 JECD O=C(Cn1cnc2ccccc21)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796934626 BRXTVVBQJGHOIA-FNLKRUPLSA-N 470.533 2.467 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 1798010604 BWIKOKWQXHQTEE-RMFSNUHRSA-N 478.509 2.242 10 20 JECD C[C@H](Cn1cccn1)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1804723587 IGABYWNVIQQONU-LLGWGGQPSA-N 491.548 2.450 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1ccno1 1805624116 OEGAPFMMVYCYOJ-VGOFRKELSA-N 458.478 2.182 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2CCC(CO)CC2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994766 ZPOVLTKKVWKOHT-YNILIBFXSA-N 454.527 2.006 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2ncncc2c1 1809916809 KKMWFTDERZKPLO-HXOBKFHXSA-N 470.489 2.464 10 20 JECD CCNC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1810244420 QXZBYGSCKKFISZ-ZXYWRSMDSA-N 489.960 2.173 10 20 JECD O=C(COc1cc(Cl)ccn1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810492396 DSUYKJIVNPXGSR-QRQCRPRQSA-N 483.912 2.335 10 20 JECD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)no1 1813332229 PKRYJCDZIBOSLF-KBMIEXCESA-N 486.532 2.419 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814189645 VBLJCEXUSAFTGZ-DFYYWFRZSA-N 460.625 2.384 10 20 JECD Cn1c(=O)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)nc2ccccc21 1817845401 MADLMMLJZVDJQE-QGZVFWFLSA-N 489.492 2.083 10 20 JECD COc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)c([N+](=O)[O-])cc1O 1817847717 UKJMNCYDGAYDRE-AWEZNQCLSA-N 498.452 2.458 10 20 JECD CC[C@@H](NC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146571 QSKFFKFATAHFGT-APWZRJJASA-N 451.531 2.193 10 20 JECD COc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)s1 1834988042 LWTPJBVNBAZUFE-UHFFFAOYSA-N 460.556 2.062 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835133999 TYIDEFRJCNGHNX-TUACAJSNSA-N 493.633 2.226 10 20 JECD Cc1cc(C(=O)COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(C)n1-c1ccc2c(c1)OCCO2 21855982 WZGQTUCJXDJFER-UHFFFAOYSA-N 497.529 2.089 10 20 JECD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 857462140 GYVYZMIITAEFGB-UHFFFAOYSA-N 455.920 2.493 10 20 JECD O=S(=O)(c1ccc(NC(=S)NCc2ccc(N3CCOCC3)c(F)c2)cc1)N1CCOCC1 917580859 UVSXQTPUBDFJMC-UHFFFAOYSA-N 494.614 2.170 10 20 JECD O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 917762018 NZTPKTXCHFILGD-UHFFFAOYSA-N 465.597 2.499 10 20 JECD COc1ccc(N2CCCN(C(=O)NCC[C@](O)(c3nccn3C)C(F)(F)F)CC2)cc1 918063801 YQSIQFCZSSBSHX-FQEVSTJZSA-N 455.481 2.491 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cn2)CCO1 918204918 CKUPYXJJPLQXKT-KRWDZBQOSA-N 457.550 2.406 10 20 JECD CC[C@H](C)NC(=O)CN1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 918221844 RTQKBYIUHOUWPM-IPMKNSEASA-N 463.598 2.181 10 20 JECD C[C@H]1CN(Cc2ccc(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cc2)C[C@H](C)O1 918338103 SLMUXFZEHZSQDX-PMACEKPBSA-N 471.623 2.461 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)CC2)cc1 918461869 PHHMDRAZGVPZNE-JOCHJYFZSA-N 466.538 2.490 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CCn3cnc4sc(C)c(C)c4c3=O)nc12 918936044 HGUIWSAUCBZFNN-UHFFFAOYSA-N 471.495 2.133 10 20 JECD Cc1cc(C(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)c(C)n1-c1ccc2c(c1)CCC2 919128671 IFFVPWOUBSPGJC-UHFFFAOYSA-N 470.551 2.021 10 20 JECD C[C@@H]1CCCN(CCNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919784729 SBSWZJDOJSBMHQ-LJQANCHMSA-N 455.582 2.473 10 20 JECD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCc1ccc(N2CCOCC2)cc1 919821329 BDIPGVRNVRDWPS-KRWDZBQOSA-N 462.528 2.192 10 20 JECD CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnc(C4=S=C5CCCC5=C4)o3)cc2)CC1 1329135561 TXWVHUTYZWSHJS-UHFFFAOYSA-N 458.565 2.139 10 20 JECD COc1ccc2cc(C(=O)N3CC[C@@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)[nH]c2c1 1777773043 OBEAVBYHUAKMSJ-QBHGEWLWSA-N 493.516 2.450 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3nnc(-c4ccccc4)o3)C2)C1 1779116780 ZJNCHDKXVIJAGT-PMDNVAFQSA-N 492.488 2.010 10 20 JECD Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)cc1F 1780616444 FFXWTOQDIASBOS-VWLOTQADSA-N 464.497 2.371 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)N2CCN(C)CC2)CCO3)cc1 1781754456 UTVJJSVBXUIOSM-FIPFOOKPSA-N 493.652 2.174 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3nccn3c1)C2 1783222451 VKMXLDRLEVJLBI-GQZXHLMHSA-N 492.532 2.292 10 20 JECD Cc1cc(F)ccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783246713 GBVCLVWDVRFHTP-VGOFRKELSA-N 479.599 2.122 10 20 JECD CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)[C@H]2C1 1787399777 VHDNANBBJAXBTP-UVUJQTEASA-N 488.629 2.484 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(F)(F)F)c(F)c1)C2)c1cc(O)nc(O)c1 1796140344 MBECQQLXRSXOOR-IVWMJMPLSA-N 469.391 2.168 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1798645945 IFNJQZVZYZIJEU-IZBJGVDFSA-N 460.538 2.313 10 20 JECD COc1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1O 1807991243 GCYXPEBWSUCNTL-MZNJEOGPSA-N 478.505 2.164 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3cncn3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995213 FCRPPFFIIKVDCK-AOMKIAJQSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2CCOCC2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468520 RXKJGDUVOXYFMD-RDPSFJRHSA-N 475.549 2.307 10 20 JECD CCC1(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)COC1 1808470240 UPWBAKYFOMFZGH-CVDCTZTESA-N 475.549 2.307 10 20 JECD Cn1ncc(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)c1C(F)(F)F 1810547342 LJGJIGFUASQOIN-UHFFFAOYSA-N 467.448 2.404 10 20 JECD Cc1ccccc1NCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814185948 IWZBWJQEXWTFQC-MBSDFSHPSA-N 497.646 2.368 10 20 JECD Cc1cnn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)c1 1817646723 NUPRUNSLMHHBRA-HXUWFJFHSA-N 474.525 2.400 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)c3cn4ncccc4n3)sc2C1 1818466571 UKWJDEFSAVQYNL-FLUIGGAXSA-N 492.517 2.242 10 20 JECD CCc1ncsc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1821793325 HKGVWHXJSZDUIZ-SECBINFHSA-N 481.650 2.248 10 20 JECD Cc1cnc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)s1 1823496656 OACMXWVRNPUDAC-GFCCVEGCSA-N 464.598 2.341 10 20 JECD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)n1cccc1 1823501139 OFSGJXIKSOYBRI-HIFRSBDPSA-N 460.585 2.325 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cnn4c3CCC4)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1824046691 OMDVTOHPLHIJGA-AWEZNQCLSA-N 489.561 2.305 10 20 JECD Cc1nc(N)sc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1826974467 JNSLIXPEORUTPC-CQSZACIVSA-N 481.669 2.127 10 20 JECD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)c1ccc(Cl)cc1 1830261228 RZVHNMDDKOFOBC-NPMXOYFQSA-N 475.929 2.020 10 20 JECD Cc1cc(C)n(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)n1 1832900475 UMEURFMJORVCQX-LJQANCHMSA-N 491.683 2.370 10 20 JECD CC(C)(C)c1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)[nH]n1 1834988672 BVUSRGOEUGHNPF-UHFFFAOYSA-N 470.574 2.012 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)cc1F)CCO2 1840764763 VPLXGNXBGSKHOS-OAQYLSRUSA-N 499.417 2.035 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2c(F)ccnc2Cl)C1 1842139021 QTBLACZTOSFUJN-UHFFFAOYSA-N 455.877 2.484 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N[C@H](c3cccc(F)c3)c3nccn3C)nnc2n1 108222058 TYFQGNOMJNAJFI-MRXNPFEDSA-N 484.565 2.253 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N3C[C@H](C)O[C@H](c4ccccc4)C3)nnc2n1 109055892 XTFPTTFLIALOHU-HOCLYGCPSA-N 456.576 2.464 10 20 JECD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c3cn(C)c(C)n3)c2C)cc1 727007002 RBQLJHZZFBFGBH-UHFFFAOYSA-N 488.566 2.239 10 20 JECD COC(=O)c1cccc(S(=O)(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1C 731215046 GEXWVKITHRILEM-UHFFFAOYSA-N 461.584 2.281 10 20 JECD O=C(COC(=O)CCNS(=O)(=O)c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 849199745 ZNBFCYOVZZUAEO-UHFFFAOYSA-N 492.509 2.312 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3sc4nc5n(c(=O)c4c3C)CCC5)CC2)cc1 849211435 RJJZCTUBYZBHFP-UHFFFAOYSA-N 482.562 2.227 10 20 JECD O=C(COC(=O)Cc1ccc(-n2cccn2)cc1)NCc1ccc(N2CCOCC2)c(F)c1 919177752 WFSILVWAHRDBDS-UHFFFAOYSA-N 452.486 2.250 10 20 JECD CCOC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919698178 VGYCTAVZBXTFDG-LJQANCHMSA-N 470.549 2.427 10 20 JECD COc1ccc(OC)c(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919800253 PUTKIZOQMUEJNQ-UHFFFAOYSA-N 494.527 2.214 10 20 JECD C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(N2CCOCC2)cc1 920879854 VVAQDVNTSAIRNF-QGZVFWFLSA-N 479.624 2.026 10 20 JECD Cc1ncc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)s1 1778395813 PPDVLMWHUNRNIO-RNJIHJBZSA-N 473.551 2.409 10 20 JECD CC(C)(C)OC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1781937487 HUYQUFISQDYLCW-UZUQRXQVSA-N 497.976 2.403 10 20 JECD CN(C)C(=O)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1 1785283606 CHEGJNXJEGVBIX-DEOSSOPVSA-N 487.940 2.210 10 20 JECD O=C1CC[C@H](C(=O)NC2(c3ccc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)cc3)CCC2)N1 1788672518 NJHSEVBGCIJQAR-LJQANCHMSA-N 459.506 2.192 10 20 JECD COc1ccccc1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1790951119 FIVKOQMQYPFGHV-PTLVVNQVSA-N 490.560 2.010 10 20 JECD O=C(CC[C@H]1CCOC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1791817611 AIBIKEYDTYJZAH-PWDMQXDWSA-N 452.935 2.161 10 20 JECD COc1ccc(Cl)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)c1 1791902932 ZYWQIMLCOSCZEI-IWEFOYFVSA-N 461.902 2.062 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@@H]1CCc2ccoc2C1 1793120512 KMPDZJUUXFAAGI-BCEDRHLLSA-N 460.914 2.353 10 20 JECD COc1ccc(C(=O)CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)cc1 1795522221 IZWKRVVVBFYGQV-BCDXTJNWSA-N 453.495 2.416 10 20 JECD Cc1c(Br)ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)c1F 1796138010 STZSZJYORKVKRN-DBWKPXFBSA-N 494.317 2.220 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccc(F)nc1F 1796932207 ZCLFRMHAKCHKLF-RBVVOMGSSA-N 453.449 2.405 10 20 JECD COc1cccc(OC)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799768861 CTGDDQOLSWLTHX-VTEUUUEMSA-N 476.913 2.285 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(Br)c(F)cc1F 1801882759 VLUMZPPHJUGKQZ-XGISUXEOSA-N 498.280 2.051 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cc(F)c(F)cc3[nH]1)C2 1802079736 VIOKRHLOVDTJCY-HWAHWKQGSA-N 499.470 2.480 10 20 JECD Cc1nc2ncccn2c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804286490 RJHGFOKSRDZBIT-BJKLQHCMSA-N 463.494 2.120 10 20 JECD C[C@@H](NC(=O)c1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1804357318 UENWNKZEHWIWEK-SZANIVAYSA-N 479.533 2.273 10 20 JECD CN(C)c1ncc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)o1 1805345634 HPNCHOLLFHGEDW-QXMHPGBQSA-N 493.520 2.285 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)C1CCOCC1 1806704397 CUNSPZHGSDYCHS-JXMVYQEMSA-N 467.522 2.344 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnc3ccc(F)cn23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001863 YYNKGSJZAGMSHE-IVZQSRNASA-N 476.468 2.308 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cn2ccccc2n1 1809049425 QUFYQXQQCLWAIJ-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(Cl)c2nncn2c1 1810229771 FDZTYWFWTAUCAY-VLIAUNLRSA-N 493.911 2.217 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)ccc1O 1811019800 SIUGELKCAZZKDP-LAUBAEHRSA-N 484.603 2.276 10 20 JECD Cc1ccc(C(=O)C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1812964074 VCYQWSRHYDFIOR-AVRDEDQJSA-N 460.490 2.399 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc3ncccc3[nH]2)[C@H]1c1cccnc1 1814190227 UGBJJRJSZGTYRG-BTYIYWSLSA-N 494.602 2.138 10 20 JECD Cc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)cn1 1817364225 QLXWPRIJZQSIOT-OAHLLOKOSA-N 475.534 2.260 10 20 JECD Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)nc2nccn12 1817847387 YWSWFMNOADXQBJ-INIZCTEOSA-N 462.470 2.187 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccc2c(n1)OCCO2 1817961202 DGUGBVTVWMJOHI-HNNXBMFYSA-N 466.454 2.002 10 20 JECD C[C@@H](Nc1nccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1818086226 VOLIUPQHDKJVND-BXUZGUMPSA-N 457.516 2.479 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(O)nn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818145722 HSUJAOYFQRISSX-SFHVURJKSA-N 474.481 2.004 10 20 JECD CC(=O)N(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1824888293 CTLKEFOUACGGJI-FHVRUZERSA-N 473.570 2.305 10 20 JECD Cc1nc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)no1 1827714711 HNMDVOAHKOPAFB-OAQYLSRUSA-N 478.553 2.333 10 20 JECD Cn1nc2c(c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN3C(=O)CSC3=S)CC1)CCC2 1830988506 YTVDSPCAGQRABC-GOSISDBHSA-N 489.667 2.002 10 20 JECD Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1[N+](=O)[O-] 1836408883 KJGJPBWCTZDSSK-UHFFFAOYSA-N 497.552 2.137 10 20 JECD O=C(CCc1cccc(O)c1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031778 MBGBTYUPTVNFTG-UHFFFAOYSA-N 469.538 2.443 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)cc1 1839348692 GQSKJHCUUFMZPF-HHHXNRCGSA-N 489.576 2.197 10 20 JECD O=C(Cc1ccc(F)cc1F)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432983 FBVBYIVBGXDUHF-HSZRJFAPSA-N 496.894 2.342 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)Cc2ccc3c(c2)CCO3)C1 1846099509 GWKWXDKHMLPUGS-QPJJXVBHSA-N 450.491 2.198 10 20 JECD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847036985 CPOADBWPMPWBDM-DZZUKKPASA-N 475.542 2.323 10 20 JECD O=C(c1cc(-c2cc[nH]n2)n2ccccc12)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056557 QWUDADPNLXVNFQ-UHFFFAOYSA-N 494.602 2.007 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COc1cccc2ccccc12 1848061739 HUOZCKYZGQXZDL-ROUUACIJSA-N 469.588 2.281 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 729841239 SLEQPEYZKYZJOG-UHFFFAOYSA-N 451.495 2.172 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(NC(=O)C(C)C)ccc3C)CC2)cc1 743432792 RWQHXUYSXHEDQY-UHFFFAOYSA-N 481.597 2.475 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4F)C3)cc2)C1 917834638 LYMJTKCRIZJPSG-IRXDYDNUSA-N 456.493 2.336 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(S(N)(=O)=O)s3)cc2F)C[C@H](C)O1 918186844 VDRWCDVKJSOQLD-STQMWFEESA-N 456.565 2.148 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1nc(C2CC2)n(-c2ccccc2)n1 1334459020 OICXADWBAWQBFY-UHFFFAOYSA-N 451.552 2.310 10 20 JECD CCOC(=O)O[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1781514780 WQRXSEIYAQMPGX-OIAISFKWSA-N 484.933 2.440 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1782008767 JZCKWXHNHCWCQB-QFIPXVFZSA-N 480.945 2.128 10 20 JECD CN1CCN(CC(=O)NC2(c3ccc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)cc3)CCC2)CC1 1788673572 AIFAJYZQQYYSCF-UHFFFAOYSA-N 488.592 2.161 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3cn4cccnc4n3)cc2)CCC1 1789265900 YSNPQYZGSPBJNY-UHFFFAOYSA-N 480.575 2.337 10 20 JECD C[C@H](C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1)N1C[C@H]2C[C@H]2C1 1789449743 PZRWCNXQJUDDQI-OAGGEKHMSA-N 472.636 2.321 10 20 JECD O=C1Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3=NN(c4ccccc4)C(=O)C3)ccc2N1 1796934593 OUXCZGARQWDTFC-FNLKRUPLSA-N 471.517 2.226 10 20 JECD COC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1803673991 HMAOKDIIDGKAEQ-WCAVRKLYSA-N 463.538 2.163 10 20 JECD Cn1ncc2cc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)ccc21 1807996271 PZTSALIIGNVRAT-SBUREZEXSA-N 472.505 2.408 10 20 JECD Cc1nn[nH]c1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811804426 WEWCJQRUKCHIFE-UGSOOPFHSA-N 456.890 2.206 10 20 JECD Cc1nccn1CC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1812409282 OVASJQUECXMXLS-ADXKRPKKSA-N 477.521 2.123 10 20 JECD O=C(COCc1ccccc1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1817131463 LZSPJJVBNJPTIE-KRWDZBQOSA-N 487.607 2.479 10 20 JECD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)n1cccn1 1817366735 CIQLVPYRAXBISI-LSDHHAIUSA-N 477.550 2.306 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cc2cnc3ccccn23)[nH]n1)c1cc(O)nc(O)c1 1817843720 WSFQSVOVBRZMFI-QGZVFWFLSA-N 461.482 2.412 10 20 JECD CC(C)(C)n1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)nn1 1820319222 USWVGFIWASFYPV-OAHLLOKOSA-N 454.491 2.182 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823497429 DKJBQFSVLCNJJW-CZUORRHYSA-N 487.611 2.158 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)C(F)(F)C(F)(F)C(=O)O)CC1 1824868888 XKJPNQNZHCORJF-CYBMUJFWSA-N 477.411 2.081 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)n[nH]2)CC1 1827004128 FDNTXHWVXMBJSH-QQOXCAACSA-N 456.499 2.179 10 20 JECD O=C(/C=C/c1cnccn1)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1827020878 IJTRCPFCBBQOSA-DFQUBYPTSA-N 479.518 2.389 10 20 JECD O=C([C@@H]1CC(c2ccccc2)=NN1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429897 VRSVITAJMCLEJD-VXKWHMMOSA-N 477.565 2.492 10 20 JECD C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828244697 OIPYJRBMYAIGQT-GRYCIOLGSA-N 452.627 2.352 10 20 JECD O=C(CCc1ccccc1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1834427426 LXOXKOLZDPOQDU-UHFFFAOYSA-N 452.555 2.311 10 20 JECD Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834987250 JGHNYGLMJMWICE-UHFFFAOYSA-N 456.518 2.439 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)C1 1838031755 KELFDUKULNLQJG-DLBZAZTESA-N 489.569 2.084 10 20 JECD CCc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839431876 SENSVJMCVYLMOC-QHCPKHFHSA-N 475.929 2.092 10 20 JECD CN(C)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 15410788 IDGXCZRKHZFPHR-UHFFFAOYSA-N 450.992 2.029 10 20 JECD CC(C)[C@@H](C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)N1CCCC1=O 726033632 HYPPXDZWTNJDAH-QZMQVMSPSA-N 463.550 2.246 10 20 JECD CCS(=O)(=O)NCCCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 726771311 KUUCLVRUBUBJJO-OWBHPGMISA-N 461.656 2.175 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)CC2)cc1 742921134 YMFWTZIGFPDSCP-OAQYLSRUSA-N 492.667 2.238 10 20 JECD CCS(=O)(=O)CCOc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)CC)cc2)cc1 746351058 KEJDZRXVBAMTRB-UHFFFAOYSA-N 476.598 2.063 10 20 JECD Cc1cc(C(=O)CN2CCN(Cc3ccco3)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 765866726 UFBXFFHYANPEIC-UHFFFAOYSA-N 456.568 2.335 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)N4CCOCC4)cc3)n2)o1 915219380 KEJFEZOFCYPQHJ-UHFFFAOYSA-N 490.563 2.312 10 20 JECD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 915732152 WRCAGWCKPQXXMM-UHFFFAOYSA-N 474.583 2.191 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccc4c(c3N)C(=O)c3ccccc3C4=O)nc12 918848224 ANAUXOSIBWBBES-UHFFFAOYSA-N 486.440 2.326 10 20 JECD COc1ccc(N2CCCN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 920345570 SDMVBRWHENEWBW-UHFFFAOYSA-N 462.528 2.011 10 20 JECD CCOC(=O)c1c(NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)sc(C(C)=O)c1C 920636501 VZJNPXHPPWRZGR-UHFFFAOYSA-N 498.535 2.308 10 20 JECD C[C@H](OC(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1248583651 VCZPZPCSCDDACH-HNNXBMFYSA-N 488.500 2.117 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3cc(O)ccc3n1)C2)c1cc(O)nc(O)c1 1777848540 XYJWTAPVXOEVHW-CJFMBICVSA-N 478.505 2.188 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)C1 1780300523 SXPUFPILPWCNSF-HSZRJFAPSA-N 483.912 2.294 10 20 JECD CCOc1ccccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1780317611 HAVIKQGTWOILAB-NTKDMRAZSA-N 455.511 2.333 10 20 JECD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003552 UGICLRXOXZUXDZ-NPMXOYFQSA-N 474.945 2.200 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783222529 YMZQTJYUTSWINF-BXZVDQOMSA-N 496.564 2.226 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C(F)(F)F)CCC1)C2 1783246383 RPZUPEVVYZSYEG-FZKQIMNGSA-N 493.573 2.093 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3cnccc13)C2 1783248176 OMLAODJDMZHYGO-NTKDMRAZSA-N 498.630 2.223 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)C1=NO[C@H](c3ccccc3)C1)CCO2 1785505749 OJNSBBKMYGAEPE-GUTGOGNUSA-N 493.516 2.164 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cc(F)cc(F)c1 1789645910 ICIBNGXFZHLPIH-BXTXGBPESA-N 474.460 2.388 10 20 JECD CC(C)(C)OC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790242908 BTJJRNAWIGXGAS-JDFRZJQESA-N 468.934 2.076 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)c1ccccc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480537 MKWQBFKRVNXAOG-AAUAJYIVSA-N 464.497 2.080 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncccn1)C2 1796750222 RJXGHYLKFXOMBE-PLACYPQZSA-N 494.596 2.447 10 20 JECD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)n1 1796934891 YNHHOSZOGNANLQ-ACHSLPGTSA-N 492.492 2.043 10 20 JECD Cc1nc2ncccn2c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1797529662 WERCTGKRJMJZCV-GGPHIMKMSA-N 471.521 2.082 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cccs1)C2 1802080116 LEXQGBRTBKMPRI-GFJNFMHFSA-N 456.520 2.181 10 20 JECD CN1CCC(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)CC1 1802576102 ZVGBLLJAVRYVAG-LQDMMPEDSA-N 480.565 2.259 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2noc3c2CCCC3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994597 VSXCVUVRGUZHPD-IVZQSRNASA-N 463.494 2.388 10 20 JECD CC(=O)Nc1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1807995252 FWALXDNMSBLLPV-CLOONOSVSA-N 489.532 2.409 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807996513 UJAXYVUIMLBCSN-HXOBKFHXSA-N 489.532 2.237 10 20 JECD CO/C=C(\C)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1810145198 XBSAXGBXIBHIAH-PJDJRYGESA-N 461.522 2.431 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)CCCn2cccc2)[C@@H]1c1cccnc1 1814191868 NUHVQJMPZBPMJQ-PGRDOPGGSA-N 485.635 2.230 10 20 JECD Cc1nnc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)s1 1815916672 BDMAGAJXNOMOGG-ZDUSSCGKSA-N 493.640 2.055 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CNc3ccccc31)CC2)c1cc(O)nc(O)c1 1816722861 ZXYHGJQAADYTBU-JSGCOSHPSA-N 451.508 2.384 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccc4cccnc4n3)sc2C1 1818978593 MMLTYDAQWYRQLF-GFCCVEGCSA-N 498.615 2.172 10 20 JECD CCCC(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1819561245 LNYBYFFGJGYTRN-UZLBHIALSA-N 493.568 2.500 10 20 JECD Cc1cnn([C@@H](C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c1 1822751272 KNKAQLHLXVRRAL-ZFWWWQNUSA-N 475.600 2.028 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1cccc(Cl)n1)CC2 1828239663 ABOYUMVMOLEZOP-NSHDSACASA-N 496.039 2.207 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)Cc1cccnc1Cl)CC2 1828240704 ZMPJSRHLECVNMF-LLVKDONJSA-N 496.039 2.207 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3nccnc3c1)CC2 1828245108 ZCUBCWYUQLALAI-LBPRGKRZSA-N 498.615 2.172 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1c(F)ccc(O)c1F)CC2 1828247204 OWKLENCEUQETMK-QMMMGPOBSA-N 498.558 2.213 10 20 JECD O=C(c1cc(F)c[nH]1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899905 NDBSTJNOBLDKJG-MRXNPFEDSA-N 452.577 2.247 10 20 JECD CC(C)(C)n1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)nn1 1832900492 HVQYAPWHFZAHJR-KRWDZBQOSA-N 492.671 2.127 10 20 JECD Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988036 LBWRHEQVOSCXHS-UHFFFAOYSA-N 468.554 2.065 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(F)cc(F)c3F)CC2)CC1)c1cc(O)nc(O)c1 1834988127 GBGHYVMOHSOGKR-UHFFFAOYSA-N 478.471 2.409 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H]1C[C@@H]3CC[C@H]1C3)CCO2 1839916291 MJJSALRRYBMZSF-LYAKBKGDSA-N 486.565 2.099 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1c1ccccc1)CCO2 1840122067 MQHFHYFXUSBJHB-QRNIUDCFSA-N 494.544 2.077 10 20 JECD COc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1840686534 QSKNYOCLHZMWPZ-QHCPKHFHSA-N 494.903 2.283 10 20 JECD CC(C)[C@H](CC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)NC(=O)OC(C)(C)C 1846294789 VJVHCBDIUXCEAH-INIZCTEOSA-N 462.547 2.249 10 20 JECD CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 726103121 OWYYJXHQNDTPSZ-OALUTQOASA-N 459.591 2.445 10 20 JECD Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)cn1C 727006399 KZKMZDGKXITVIR-UHFFFAOYSA-N 484.578 2.329 10 20 JECD CS(=O)(=O)NCCN1C(=O)/C(=C/c2csc(-c3ccc4c(c3)OCO4)n2)SC1=S 728611152 TZEYNCQUXYGTAP-AUWJEWJLSA-N 469.591 2.289 10 20 JECD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)c1 728877451 NEEPOOWSQPNIGZ-UHFFFAOYSA-N 456.499 2.217 10 20 JECD COCCN(CC(F)F)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 728949889 XETIOJZGWVZKEM-UHFFFAOYSA-N 452.481 2.365 10 20 JECD CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)cc1 746979931 ZWMDWUHNGMKEQY-UHFFFAOYSA-N 462.547 2.310 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NC1CCN(CC(F)F)CC1 747102974 GYGSWLZBOFRLIK-UHFFFAOYSA-N 477.535 2.471 10 20 JECD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)C3CCN(S(N)(=O)=O)CC3)c2C)cc1 914899212 ZLUMBXIWZVBZIB-UHFFFAOYSA-N 463.556 2.134 10 20 JECD CC(C)N(CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)Cc1ccc(N(C)C)cc1 917074949 MLCHEWMWVDKNCH-RUZDIDTESA-N 480.609 2.474 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3ccc(F)cc3)cc2F)C[C@@H](C)O1 918974194 XTVBEOLDXFUKOS-IYBDPMFKSA-N 475.492 2.168 10 20 JECD CCC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 919477663 IFMYBHIUUCKLAX-CBGDNZLLSA-N 463.550 2.390 10 20 JECD O=C1COc2cc(C(=O)NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)ccc2N1 919699496 NZEWNUZKDOHVGD-UHFFFAOYSA-N 462.485 2.203 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 919970442 CFCVRBPKLXUZNM-LJQANCHMSA-N 481.524 2.492 10 20 JECD C[C@H](NC(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(N2CCOCC2)cc1 920866893 OKXMKJBVPFLTSQ-MGPUTAFESA-N 455.481 2.457 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(CN4CCC[C@@H]4C(N)=O)c3)cc2)C1 920939623 FFIUUADUHHLVKQ-NFBKMPQASA-N 478.597 2.160 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCC(F)(F)CC1)C2)c1cc(O)nc(O)c1 1777849070 JPSALCAWEWGJIO-IIBYNOLFSA-N 453.486 2.446 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1779282864 DZXHKXISGRYZRH-FQRUVTKNSA-N 464.566 2.228 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3cn[nH]c3cn1)C2)c1cc(O)c(O)c(Cl)c1 1781122185 UKGKSRVDSBTEDI-AUSIDOKSSA-N 485.928 2.464 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cccc(C(F)(F)F)c3F)C2)C1 1781623751 SIDJYSQUAAGLNE-FQEVSTJZSA-N 469.391 2.408 10 20 JECD COC1(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CCC1 1782809659 CKVPEAMRKLTEIN-PXDATVDWSA-N 482.581 2.252 10 20 JECD COC(OC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C[C@@H]21 1784291101 JIYKFZUCGFLWBW-BVSLBCMMSA-N 455.555 2.306 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)CC1 1784797607 QGVCHSCWEASDPA-BHZNCXQASA-N 494.972 2.324 10 20 JECD Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)sc1C 1785507256 MAPQBRZEPSNUAP-LHXJMTLCSA-N 459.524 2.034 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccc(F)c(F)c1)CCO2 1785510175 QMYZZKMWGMTSJO-DLMBFZKISA-N 460.433 2.239 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)CC1Cc3ccccc3C1)CCO2 1785511909 YRIXFQFRPWBKCA-WZSLKZGSSA-N 478.545 2.452 10 20 JECD O=C(CCc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1786418425 QTTNJVTUWHFLLS-UYYYWKEISA-N 466.534 2.429 10 20 JECD CC(C)Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)cc1 1792242339 ZFAYQYISWXMXDT-UFYCRDLUSA-N 489.663 2.339 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1c[nH]c2nccc-2c1Cl 1796223675 DANDGEBHUOLSKJ-JOTXDYOYSA-N 498.923 2.201 10 20 JECD CCOc1ccsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802077845 TYSXYHTVLJJDEB-LODQTJKBSA-N 474.535 2.180 10 20 JECD Cc1cnc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1805243454 RHMYREHTTANIAD-RHSMWYFYSA-N 475.621 2.026 10 20 JECD Cc1nc(C)c(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1805546420 JEHCHGNNHNEZDE-QAPCUYQASA-N 489.648 2.335 10 20 JECD Cc1nc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cs1 1807992769 BHIYPEHIAFITNH-BTYIYWSLSA-N 453.524 2.215 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1O 1807998267 CCUVSIHLKHAFLY-UZUQRXQVSA-N 491.504 2.185 10 20 JECD CO/C=C(\C)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808468586 UTVAMRXJDONZOU-GRCQMEJFSA-N 461.522 2.431 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H](CNC(=O)C2(C(F)(F)F)CC2)[C@H]1c1cccnc1 1809636696 MWWLYUWLGSXPQQ-CZUORRHYSA-N 486.541 2.290 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1c1cccnc1 1814161482 HETZKFKHQROCEY-RLVMRWSYSA-N 466.538 2.013 10 20 JECD Cc1nc(F)ccc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814189443 HSSKMZNYZHKHFH-YWZLYKJASA-N 487.582 2.104 10 20 JECD C[C@@H](Nc1nccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817845204 GAAACIQOWWPELU-RISCZKNCSA-N 457.516 2.479 10 20 JECD COC(=O)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821295570 ZSMAIFCCAFOTLT-CYBMUJFWSA-N 451.867 2.136 10 20 JECD Cc1nc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)no1 1825182257 AGUKLNZGNHDXGT-JHTBKMLMSA-N 470.526 2.370 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2F)CC1 1827326759 CXRUHEXKHLPFRH-QGZVFWFLSA-N 464.588 2.314 10 20 JECD O=C(CCn1cncn1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717391 DGAFOGNEJYYZGT-QFIPXVFZSA-N 477.569 2.081 10 20 JECD CCc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)n(C)n1 1829328300 WKHLWEVVUSFFLP-QGZVFWFLSA-N 477.656 2.076 10 20 JECD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)n1cncn1 1832204366 UUPXTFJHAYGFQZ-AVRDEDQJSA-N 477.569 2.252 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3occc3Br)CC2)CC1)c1cc(O)nc(O)c1 1834986867 DQOSTOHSSFJHPK-UHFFFAOYSA-N 493.358 2.347 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)CC1 1838030015 YMAKIJDFEFOIOF-UHFFFAOYSA-N 465.510 2.295 10 20 JECD COc1cc(F)ccc1CC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838032347 MVPDSGXBNODXDN-UHFFFAOYSA-N 487.528 2.495 10 20 JECD O=C(c1ccnc(C(F)F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431662 GVRXFAUADKXPKR-QFIPXVFZSA-N 497.882 2.468 10 20 JECD Cc1nc(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)s1 1839431782 MUYDOSYYDWWCAJ-OAQYLSRUSA-N 481.958 2.208 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(CCSC)cc3)CC2)cc1 727947033 JKYZJWYLGLHMDF-UHFFFAOYSA-N 456.612 2.478 10 20 JECD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 747991228 FZPLSUMZFCLONU-NRFANRHFSA-N 493.608 2.337 10 20 JECD O=C(COC(=O)c1cncs1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 825309592 RLGAWFGACSABJA-MKMNVTDBSA-N 477.545 2.046 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCCNC(=O)c3ccc(C)c(F)c3)CC2)cc1 916196590 NFFOVDINMOPROI-UHFFFAOYSA-N 471.577 2.384 10 20 JECD CNC(=O)Cn1cc(NC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cn1 918635338 YIOXTSPLLQWOBR-NSIKDUERSA-N 494.396 2.232 10 20 JECD COc1ccccc1C(=O)NCC(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 918968157 WKZNAHFFUFKLMZ-IRXDYDNUSA-N 487.528 2.037 10 20 JECD Cc1ncsc1C(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 919164604 KBYAZHBSGXIDDS-VIZOYTHASA-N 491.572 2.355 10 20 JECD CC(C)CS(=O)(=O)CC(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 919333433 NMIFYCDYGMOZMG-CQSZACIVSA-N 457.504 2.403 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)C1 1780756792 WRJHWIAGGCSEQA-HXUWFJFHSA-N 451.401 2.269 10 20 JECD CCN(CC)C[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1781502422 OFHFJMMMHYOAPL-HRRBBWQUSA-N 497.640 2.271 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cnc4c(F)c(F)ccc4c3)C2)C1 1782469959 FKAPJHPAHHJAGA-QHCPKHFHSA-N 470.432 2.077 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccc3cc[nH]c3c1)CCO2 1785505237 DUKAMWPGSCTTCB-SKFGKQHZSA-N 463.490 2.442 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccnc3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243273 BIJGCRPJLQPBKR-KNBMTAEXSA-N 459.930 2.372 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1ccc(Br)nc1F 1796598755 DYAMSGCDERRZEY-ZSBIGDGJSA-N 465.279 2.355 10 20 JECD COCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796748760 ISJOUDSSQLJXDD-PLACYPQZSA-N 474.602 2.379 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796935495 PBBCOFRLJVWAII-XEYPJELSSA-N 461.522 2.280 10 20 JECD CC(C)Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n(C)n1 1807850534 HGVKFEGKZVCXMB-UZUQRXQVSA-N 478.553 2.453 10 20 JECD C[C@H](NNc1ccccc1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807991697 IQVFZZSTACYLPN-CEXJFXJFSA-N 476.537 2.213 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807996512 UJAXYVUIMLBCSN-GAJHUEQPSA-N 489.532 2.237 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2nonc2c1 1809125360 FVHKHNVYMRZSMV-QVKFZJNVSA-N 460.450 2.057 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)[C@@H]3CNc4ccccc43)C2)CC1 1809811602 YGBNQWNIJGYHLY-QGZVFWFLSA-N 472.636 2.287 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(O)ccc1F 1810901163 QMYCVSCMBCDXJH-LHSJRXKWSA-N 452.442 2.366 10 20 JECD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)nn1C 1814162871 XMARHQRXADTXEN-YGFSBTMISA-N 491.548 2.202 10 20 JECD O=C(Cc1cc(F)cc(F)c1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1815645497 NOFLPOYUJUOGRS-ZDUSSCGKSA-N 496.586 2.436 10 20 JECD O=C1CCc2ccc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)cc2N1 1816728701 MTFDYJDLDVSNMD-AWEZNQCLSA-N 479.518 2.374 10 20 JECD Cc1nnc(CC(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)s1 1817361952 CKJMSLGYGAOHTF-ZDUSSCGKSA-N 495.590 2.251 10 20 JECD CC(=O)Nc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)ccn1 1818417466 IXZXOGUMAZFLRM-MRXNPFEDSA-N 465.470 2.189 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc4n(n3)CCC4)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1819283781 DTMNQXRVUULLHH-AWEZNQCLSA-N 489.561 2.305 10 20 JECD CO/C=C(\C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1819539778 NFZFMTDPEMMWFD-FNDVETGQSA-N 453.524 2.398 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2)N1C[C@H]2C[C@H]2C1 1819570000 SLWLSKONUUCLMG-NCOADZHNSA-N 492.605 2.188 10 20 JECD COc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c(O)c1 1820459931 QGDDGFYUQYNSID-OAHLLOKOSA-N 489.579 2.290 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823500567 FXEZEZKNZUBJAL-CJNGLKHVSA-N 488.595 2.125 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cc[nH]c3nccc1-3)CC2 1828242619 OXNMDLRHBRRJDT-SNVBAGLBSA-N 486.604 2.057 10 20 JECD Cc1cnoc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1829552016 RUACEPQAXISHAT-HNNXBMFYSA-N 450.586 2.077 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)Cc3ccc4c(c3)CCC4)CC2)CC1)c1cc(O)nc(O)c1 1834985930 RCGFYGYZTDAGRR-UHFFFAOYSA-N 478.593 2.409 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H]2F)C1 1841791793 MXOQJBZDDBEHJK-CEXWTWQISA-N 460.550 2.266 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1845542737 DSFMVHFNPOWDSL-GQCTYLIASA-N 469.450 2.256 10 20 JECD O=C(c1cccc2c1OCCO2)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037655 PDGZUODWGXYSSL-SOFGYWHQSA-N 452.463 2.105 10 20 JECD COC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1847860310 BYHOXAOXGYXEFY-YSHGAJCASA-N 491.585 2.018 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 18150646 RMUOBWCJMKTXQV-UHFFFAOYSA-N 460.600 2.172 10 20 JECD COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1[C@]1(C)NC(=O)NC1=O 116038640 YYDJVFHULBHGFZ-QHCPKHFHSA-N 472.567 2.219 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 728140073 OWCLZQHMWABTLE-UHFFFAOYSA-N 456.518 2.096 10 20 JECD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 728949651 UPUAJXCGQMPFPL-QWFCFKBJSA-N 492.592 2.382 10 20 JECD COCCN1C(=O)c2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2S1(=O)=O 742468374 DCXMNNCPCBJWCO-UHFFFAOYSA-N 457.552 2.398 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(C(=O)COc3ccc(C)cc3)CC2)c1 748787453 JIVOOZAANMPPLP-UHFFFAOYSA-N 481.593 2.459 10 20 JECD NS(=O)(=O)c1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 915906308 ZLEURCOHVWKWTM-UHFFFAOYSA-N 478.518 2.250 10 20 JECD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2)C[C@@H](C)O1 917708896 LRWSDESBCNRQMP-HDICACEKSA-N 491.585 2.390 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1C 917757963 DIXOVHMFRNUQKQ-UHFFFAOYSA-N 467.569 2.030 10 20 JECD CN(C)C(=O)COc1cccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 918222961 BBUMORDCNSKQJM-UHFFFAOYSA-N 454.571 2.362 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cccc(CS(C)(=O)=O)c3)cc2F)C[C@H](C)O1 919006237 RHXCZJWVOUKHAV-IRXDYDNUSA-N 492.569 2.457 10 20 JECD COC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919730137 PKRGXSNYGFCQHP-UHFFFAOYSA-N 485.541 2.207 10 20 JECD Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1C 920606782 DBRCHTBOOZUYKZ-UHFFFAOYSA-N 462.506 2.331 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4c(F)cc(F)cc4[nH]3)C2)C1 1777797488 PJUNWNPDKSGACW-JOCHJYFZSA-N 458.421 2.010 10 20 JECD O=C(c1ccc2c(c1)OCCO2)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005395 CKISGOQHDHFTFA-QHCPKHFHSA-N 474.897 2.280 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(F)nc1F)C2 1783218588 UXBLAICXOJVKRQ-YFYQNUHRSA-N 489.475 2.318 10 20 JECD O=C(/C=C/c1cccs1)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785508616 ITNACXWFIXEVQZ-PVNHLGLISA-N 456.520 2.421 10 20 JECD O=C(Nc1ccc(C2(NC(=O)c3cnc(O)nc3O)CCC2)cc1)C1=NN(c2ccccc2)C(=O)C1 1788672601 XAIAJXGUSKDREI-UHFFFAOYSA-N 486.488 2.428 10 20 JECD CCn1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)cc1C 1789002324 CPFXQAAEQIMBQY-RFUYNDQBSA-N 462.934 2.183 10 20 JECD COc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1F 1792109859 FMDDSAAYENOSQB-PFAFGPMFSA-N 486.496 2.258 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3Cl)C[C@@H]21 1792218370 WQXUHIGBXNMLND-HAMHFSBISA-N 473.913 2.159 10 20 JECD CCOc1ccc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)nn1 1792314992 RKURUEKVUQYPIR-UHFFFAOYSA-N 485.591 2.483 10 20 JECD CCSc1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1792448236 WFRUMNUIHHTKCI-BTTYYORXSA-N 464.638 2.306 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1n[nH]c2ccccc12 1797415908 MIOBHTSXJIVQCD-IVWMJMPLSA-N 456.886 2.145 10 20 JECD CN1CCCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1803166683 HYONWDGNURXTJT-JBPXZTLLSA-N 480.565 2.402 10 20 JECD Cc1cnc(C(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)cn1 1808242534 RKWIRLSZPSHMRR-UHFFFAOYSA-N 460.538 2.423 10 20 JECD Nc1nc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cs1 1808467712 JQDRHLPGPPFEHZ-HRAATJIYSA-N 489.561 2.233 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2cccnc2n1 1809725720 OGASNTCZDLUVKU-VGSWGCGISA-N 470.489 2.464 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCOC2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147628 AVRYWNWQFKNFPO-DNVCBOLYSA-N 450.499 2.231 10 20 JECD Cc1nccn1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818147836 LGPIVAHKSUFLMW-FQEVSTJZSA-N 474.525 2.400 10 20 JECD Cc1nccn1CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1821729291 BSSAVRYGAKJERE-FQEVSTJZSA-N 474.525 2.400 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc3c(c2)CCO3)[nH]n1 1823499415 FJAPKEFFIGKJPV-QGZVFWFLSA-N 499.618 2.440 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2ccnn2c1 1824190048 GQXNUMNMSKVGJD-ZDUSSCGKSA-N 450.480 2.137 10 20 JECD Cc1cn2c(=O)c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)cnc2s1 1827427060 CLXJFDAOXRDOTB-SFHVURJKSA-N 497.577 2.418 10 20 JECD O=C(CSc1nc[nH]n1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717637 RBTQURWDRGQRGS-HXUWFJFHSA-N 495.609 2.309 10 20 JECD CCc1[nH]nc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1Cl 1828242326 GQLMLUCISXUFJZ-QMMMGPOBSA-N 499.043 2.168 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1[nH]cc3c1CCC3)CC2 1828247534 XLVBYQUFAMEZPA-NSHDSACASA-N 475.621 2.046 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccn3cn2)CC1 1828326298 MILSGCFBMPUFMV-LJQANCHMSA-N 485.635 2.428 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3snnc3c2)CC1 1829624299 JCDFLKIZHYPCRB-KRWDZBQOSA-N 468.539 2.440 10 20 JECD O=C(c1cc[n+]([O-])cc1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877355 XUVFXZZKTJZGMW-ZEZYUPADSA-N 467.522 2.384 10 20 JECD Cc1cncc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1 1832898391 MJRLPSSAHHXBHL-SFHVURJKSA-N 460.625 2.484 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)Cc3ccc4ncccc4c3)CC2)CC1)c1cc(O)nc(O)c1 1834985546 JRWOXUXENZONAH-UHFFFAOYSA-N 489.576 2.469 10 20 JECD COc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)s1 1837273685 NBSSVIQNBXQXQK-UHFFFAOYSA-N 497.664 2.229 10 20 JECD Cc1nc[nH]c1CSCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838029711 DSNJAFLNPHFKKM-UHFFFAOYSA-N 489.598 2.070 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccn4cncc4c3)CC2)CC1 1838029978 XBAYBAWVKSWMEO-UHFFFAOYSA-N 465.510 2.067 10 20 JECD CC[C@@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348640 ZUUDHHYVFBKDRR-ZEQKJWHPSA-N 468.598 2.162 10 20 JECD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1F 1840794042 HCXFMGNIFHTJLS-HSZRJFAPSA-N 494.903 2.283 10 20 JECD CC(C)(C)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c[nH]1 1840879851 JMGMDXBFTWEIHW-UJWGQFCKSA-N 499.564 2.212 10 20 JECD O=C1Nc2ccccc2/C1=C/C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1844208829 BFZIBIYNJDPWSL-UYRXBGFRSA-N 469.501 2.018 10 20 JECD COc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1S(=O)(=O)NC(C)C 36784772 AXCIOKPVSOBGCL-UHFFFAOYSA-N 477.583 2.263 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1 729065268 ZUXIRDSFEYGVLG-XHSDSOJGSA-N 491.566 2.015 10 20 JECD CC[C@@H]1Nc2ccc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2NC1=O 729717503 ZNXXYYQKNJGVCD-SFHVURJKSA-N 470.501 2.278 10 20 JECD O=C(NCCCN1CCN(c2ccncc2)CC1)NCc1ccc(N2CCC(CO)CC2)cc1 748344023 RMDUTJSBPPUPCJ-UHFFFAOYSA-N 466.630 2.302 10 20 JECD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 748852401 MQRAUTPNQAAXCQ-UHFFFAOYSA-N 461.584 2.240 10 20 JECD CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 834817070 HQIQIYUUTGFGPQ-GOSISDBHSA-N 489.594 2.278 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCC(C(=O)NCC(C)C)CC3)CC2)cc1 916197226 XOXRKGQYECUYMI-UHFFFAOYSA-N 459.635 2.401 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)cc2F)C[C@H](C)O1 918288087 TUILUNSHPUDPLC-ROUUACIJSA-N 498.555 2.167 10 20 JECD CN1CCN(c2ccccc2NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 918439938 YVZPFOAZNLOGBS-UHFFFAOYSA-N 453.612 2.247 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)C3CCN(c4cnccn4)CC3)cc2F)C[C@@H](C)O1 919073228 YJCLSNNBVAVKHR-QZTJIDSGSA-N 485.560 2.305 10 20 JECD CC(=O)Nc1nc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cs1 919699569 SMLQAHAGDZZQDM-UHFFFAOYSA-N 455.519 2.287 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)cc1C 919958065 SEQUVZALVFGVTF-UHFFFAOYSA-N 465.550 2.068 10 20 JECD Cc1sc(=O)n(CC(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C 920413190 PBUFEOINXMRCBN-OKILXGFUSA-N 465.547 2.139 10 20 JECD Cn1cc(F)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127301 DQAIBQLHNFSZLC-PXDATVDWSA-N 481.528 2.085 10 20 JECD CCSc1cccnc1C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1780463104 VSPYIUSSWWWUSL-VWLOTQADSA-N 493.589 2.430 10 20 JECD COc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(F)c1 1782004914 PYQHFMIGBAXJJT-NRFANRHFSA-N 465.865 2.051 10 20 JECD C/C=C/C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)CCO2 1783060258 SLRIXHJUDRXELV-PGLNPLHISA-N 472.586 2.111 10 20 JECD CC(C)N(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2)C(=O)OC(C)(C)C 1792674390 ACYQHTCAAKRRLD-MUJYYYPQSA-N 498.671 2.130 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1Cc2ccccc2CN1)C1=NN(c2ccccc2)C(=O)C1 1796766086 OIJRNSLQKBIYME-OHCHIEETSA-N 471.561 2.132 10 20 JECD O=C(NC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)CC1)OCc1ccccc1 1797862114 UVIGXHCKFOHFLD-REPLKXPHSA-N 480.521 2.204 10 20 JECD O=C(CCc1ccc(OC(F)(F)F)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1800440707 OKSBQXOPVFQPES-VPTLXERWSA-N 495.454 2.227 10 20 JECD Nc1ccccc1/C=C/C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1807221703 VLOLTKLJYLSPPV-UMQOZUHOSA-N 495.630 2.243 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cncc(O)c2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470245 UPYNZUOFXUHEGQ-MHECFPHRSA-N 484.516 2.295 10 20 JECD CC(C)c1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n[nH]1 1811504664 QZFZVNZYXNBYPU-YCRPNKLZSA-N 450.499 2.368 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2CCCC2=O)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803106 FNFUWWPUTMWQMK-QVKFZJNVSA-N 472.929 2.088 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(Cl)nc3n[nH]cc13)CC2)c1cc(O)nc(O)c1 1816722842 YRRQTCPPOJYSQZ-SECBINFHSA-N 485.913 2.414 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccn3cncc13)CC2)c1cc(O)nc(O)c1 1816726312 SOFWILJOXDVZLM-LBPRGKRZSA-N 450.480 2.137 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2ON=C(c3ccccc3)O2)[nH]n1)c1cc(O)nc(O)c1 1817846372 ULOHIDKABGQRGJ-HJPURHCSSA-N 478.465 2.257 10 20 JECD O=C1CC[C@@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CN1 1821290693 AGSKSJJOUMEPNI-IAQYHMDHSA-N 461.906 2.306 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc2cccnn2c1 1821497960 QZRSGZIMEIDIKT-INIZCTEOSA-N 483.579 2.224 10 20 JECD Cn1c(=O)n(C)c2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)ccc21 1827426999 AFLBJAPZCDELRI-IBGZPJMESA-N 493.564 2.230 10 20 JECD N[C@@H](Cc1cccnc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1827644717 VXLOVZAHQVCYKC-CUNKWAAUSA-N 494.592 2.401 10 20 JECD CN1CCCn2nc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)cc2C1 1831044308 WBCMAXFNGKNKKE-OAQYLSRUSA-N 482.585 2.072 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc[nH]n2)CCO3)cc1 1831766380 BRXXXEQGFPWRLC-VWLOTQADSA-N 463.538 2.201 10 20 JECD O=C(COc1ccc(O)nn1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878613 VKNMJMBRQZGLFD-YXOJNZSOSA-N 498.536 2.011 10 20 JECD CCn1nc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)cc1C 1835992407 HAPUCBPMDGYNIX-FNORWQNLSA-N 497.596 2.227 10 20 JECD CCNC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838382719 FGBKZUIYPCMWLT-AWEZNQCLSA-N 496.992 2.071 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cncc3cnccc13)CCO2 1838465372 USIZTABITIWIAO-DEOSSOPVSA-N 498.923 2.078 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CC1 1838688685 VGAAYYNFBOIPNR-YRWFTTLQSA-N 464.946 2.256 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2ncccn2)C1 1842481305 ZLAPVKSQWZYTLY-LJQANCHMSA-N 480.569 2.012 10 20 JECD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)C1 1843251131 YOQRUWGBGIMBEQ-WBVHZDCISA-N 474.558 2.393 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cnc(Cl)c(Cl)c2)C1 1844449926 GSCLDIQSACKSJC-UHFFFAOYSA-N 459.380 2.066 10 20 JECD COc1ccc(CN2C[C@@H](C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2=O)cc1 726679648 IZWWBQYYKROFMK-FQEVSTJZSA-N 453.539 2.312 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@H](c3ccccc3)N3CCN(C)CC3)CC2)cc1 727753047 HOXKTJKGUAOYDS-SANMLTNESA-N 465.642 2.312 10 20 JECD Cc1c(N)cccc1C(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 728354219 AENZQQDWJXCUIE-GRSHGNNSSA-N 499.570 2.480 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)CC2)cc1 848952040 PXVUFONZLXVBNG-XMMPIXPASA-N 478.549 2.116 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc4c(c3)OC(C)(C)O4)CC2)cc1 915744364 AWWDBXRBWKVTLT-UHFFFAOYSA-N 468.554 2.470 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)cc2)C1 917834926 UNWMNLCWWYNUQL-IBGZPJMESA-N 488.585 2.242 10 20 JECD CCc1ccccc1N1C[C@@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O 918335031 KIBZHUPCOSGFPY-FQEVSTJZSA-N 455.580 2.153 10 20 JECD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919800430 STDWQMWNAZXLPY-UHFFFAOYSA-N 493.499 2.414 10 20 JECD Cc1nn(C)c2ncc(C(=O)NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)cc12 919855497 UKKPIVSBCRPXAU-UHFFFAOYSA-N 460.517 2.462 10 20 JECD CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 920739016 KQWSDMIKINVCFP-UHFFFAOYSA-N 487.603 2.376 10 20 JECD O=C(Cc1ccccc1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1781827537 GPYPZGODUKKGMJ-SNTDARCBSA-N 482.533 2.279 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1782003847 ZBNCYFVRKOXWNK-FQEVSTJZSA-N 453.829 2.182 10 20 JECD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccc(O)cc1 1785510419 ZOHSYPGPKMUAEA-MSBZXQOOSA-N 468.506 2.156 10 20 JECD CC(C)c1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)co1 1785538903 UZTJKLQNEDWVAC-MDKPJZGXSA-N 479.537 2.184 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1cc2c(s1)CCCC2 1788307237 JEZGJYXFIPTQFP-JYJNAYRXSA-N 493.676 2.081 10 20 JECD O=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)cc3)CCC2)CN1 1788673726 FUOQFYMEITWKAZ-MRXNPFEDSA-N 459.506 2.050 10 20 JECD CCOc1ccc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)nn1 1790192366 ASBGTJAAWQNINS-UHFFFAOYSA-N 485.591 2.483 10 20 JECD COC(=O)[C@H]1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1793106690 QMYKMWDEIGTZCY-BNFYLJQCSA-N 458.511 2.044 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H](F)c1ccccc1 1793722040 JASLEFCOROXNQM-UKTAJYQXSA-N 456.470 2.117 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(F)F 1795559412 VCFHXMBXZMGNGE-QKPAOTATSA-N 483.512 2.437 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnc2c(O)cccc12 1801144474 KCLYNLHFUSZFKI-BTTYYORXSA-N 470.576 2.053 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)C2 1802078854 KMBNJXJSEIQCNO-BXZSMWQMSA-N 482.508 2.349 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC2(CCCN(C(=O)c3cncn3-c3ccncc3)C2)CC1 1807747219 PJFSSSYOXGTGML-UHFFFAOYSA-N 462.510 2.232 10 20 JECD Cn1cnc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1C(F)(F)F 1808667535 AXQSKFRZXKKQOK-FZKQIMNGSA-N 490.442 2.274 10 20 JECD Cn1ncc(Br)c1C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810552249 RTNGUDZZPBQTET-UHFFFAOYSA-N 478.347 2.147 10 20 JECD Cn1cc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)ccc2n1 1812096846 BEJDSWWTZJODJC-GAJHUEQPSA-N 472.505 2.408 10 20 JECD CC(=O)NC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815236538 CGFIPIMQZJNPFE-LJQANCHMSA-N 479.541 2.109 10 20 JECD CCc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n[nH]1 1817362291 JZCAARRAXZCDSA-AWEZNQCLSA-N 477.550 2.447 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc2cccnc2[nH]1 1819114908 DXDGZMXCLSAADW-HNNXBMFYSA-N 483.579 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cn2)[nH]n1 1823497223 BDGNVFXHEGQEPW-HNNXBMFYSA-N 476.559 2.039 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1cc2cccnn2c1 1824154473 SEKOXSOENHWDQM-CYBMUJFWSA-N 450.480 2.137 10 20 JECD CNC(=S)NCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1828931329 IAIBIVRKTSZKHB-KRWDZBQOSA-N 483.034 2.469 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)nn2)CC1 1829189689 CDWJDJXZFRLFLI-HNNXBMFYSA-N 482.031 2.224 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1831188404 SIPAMFQUOSUZRY-IDISGSTGSA-N 496.608 2.079 10 20 JECD COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c(O)c1 1832901179 RFGLEMKVHFOEJZ-GOSISDBHSA-N 491.635 2.494 10 20 JECD COC[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833527713 GUVRVFJEAIRSRH-AWEZNQCLSA-N 453.967 2.219 10 20 JECD CC(=O)c1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)n[nH]1 1834069074 WCBPBCZASPAEDE-UHFFFAOYSA-N 489.960 2.176 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccnn2)CCO3)cc1 1837878835 NPKCLACIVGOOCD-AREMUKBSSA-N 475.549 2.268 10 20 JECD COc1ccc(N2CCN(C(=O)Cn3nc(-c4ccc5c(c4)OCCCO5)ccc3=O)CC2)cc1 109410895 KMLYUPDELDXMMN-UHFFFAOYSA-N 476.533 2.429 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)ccc21 486652416 NJPTZMYCTNYLIV-UHFFFAOYSA-N 464.570 2.163 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(S(=O)(=O)NC4CC4)c3)cc2F)C[C@@H](C)O1 725824560 XQKZZBYGASIHJH-IYBDPMFKSA-N 497.614 2.359 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 729842093 SMWYREOBRRJAIQ-UHFFFAOYSA-N 469.485 2.311 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 742361442 ANMNFEVTTPCCQR-MRXNPFEDSA-N 458.538 2.472 10 20 JECD Cc1cc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccc(Cl)cc1 917330250 PCJZGYOQFAERJU-FQEVSTJZSA-N 494.013 2.236 10 20 JECD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 918457008 XNGGONULIVTKHZ-UHFFFAOYSA-N 474.583 2.141 10 20 JECD Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(C)n1-c1ccc(Br)cc1 918604453 KHVNGATYAKKQMH-UHFFFAOYSA-N 473.371 2.420 10 20 JECD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)c2C)c1 918814744 LRQCFEOKKAWXAV-IBGZPJMESA-N 485.562 2.294 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CC(=O)N(c4ccc(OCC)cc4)C3)nc12 918830852 UDJODIGRRDHNFS-CQSZACIVSA-N 468.466 2.107 10 20 JECD Cc1ccc(-c2nnn(CC(=O)OCC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)n2)cc1 918916580 UJHIUVZZOLUJCP-QZTJIDSGSA-N 496.543 2.261 10 20 JECD Cc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919730292 SOWPJNCEYOVAEH-UHFFFAOYSA-N 485.541 2.427 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)c2C)cc1 920605563 SDOXBYGBWVPJHX-UHFFFAOYSA-N 462.506 2.331 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1777712954 LIYZRIAAWNPQKI-JOCHJYFZSA-N 456.886 2.385 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)cc1 1783927480 AGECRZZTBVTAGR-CLJLJLNGSA-N 483.565 2.153 10 20 JECD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc(C)c1O 1784996973 BYVOVORPNSAPCU-SKFGKQHZSA-N 468.506 2.283 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(Br)c(F)cc3F)C2)C1 1785243846 HJJRIHFDARYNOH-HXUWFJFHSA-N 498.280 2.291 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ccoc4c3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539161 VGCPMLKFAOIKAP-NVVBAYIOSA-N 487.516 2.214 10 20 JECD O=C(CCc1cncc(C(F)(F)F)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1791499421 ZVHOIKUIVNXSKL-WBAXXEDZSA-N 494.470 2.133 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)C[C@@H]21 1792239058 JPMNYIKGWWGEIK-GTYQWKCWSA-N 493.695 2.433 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(F)(F)CC1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479297 MBVOVIKVVHPNBM-UPHUGPLXSA-N 474.508 2.194 10 20 JECD O=C1CCc2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3=NN(c4ccccc4)C(=O)C3)nc2N1 1796931778 KZFWJSHHEVHJMI-GGPHIMKMSA-N 486.532 2.011 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c(F)cccc13)C2)c1cc(O)c(O)c(Cl)c1 1799769117 AGWHORDRGCHJBY-DPIQGUFMSA-N 474.876 2.284 10 20 JECD O=C(Cc1ccc(F)cc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1800659868 KLDBHCFPSDMQSU-VTEUUUEMSA-N 466.868 2.475 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1csnn1 1803751135 QRIDRJRRNRCAPZ-IIBYNOLFSA-N 475.534 2.046 10 20 JECD O=C(CCc1cnc[nH]1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1804427235 PXCQBCWZHVBGFX-DFBJGRDBSA-N 485.548 2.236 10 20 JECD CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1804624192 ADQRMOGOTBFFCZ-QDMKHBRRSA-N 498.671 2.036 10 20 JECD COc1ncc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1C 1807990176 FYTCBQCLJNAXOH-HRAATJIYSA-N 463.494 2.233 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994432 XBDCCCUQHPGLOF-VNZMSGEBSA-N 487.516 2.401 10 20 JECD C[C@@H]1CCc2c(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)n[nH]c21 1809250198 CEXJDDIETKUBJX-OXDBHQQFSA-N 462.510 2.294 10 20 JECD O=C(c1cccc(N2CCOCC2)c1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810554562 NQMRJPFZVJSYIB-UHFFFAOYSA-N 480.565 2.488 10 20 JECD COc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(O)c1OC 1811452459 QVEQRVWYUMRHAW-BTYIYWSLSA-N 494.504 2.244 10 20 JECD N=C(N)SCCC(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811803492 JUVTWHPWEBFGHI-ACJLOTCBSA-N 477.974 2.483 10 20 JECD O=C(O)CSCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1813087947 YQSOVVAUCQFHOM-DJJJIMSYSA-N 479.942 2.284 10 20 JECD Cc1ccc(OCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)cc1 1814132437 CHBWNJWTHPBVLX-ZDUSSCGKSA-N 490.632 2.303 10 20 JECD CN(C)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1816226944 HOMWPYZZINKZKF-KRWDZBQOSA-N 451.487 2.297 10 20 JECD Cc1nnsc1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362421 OQNDBWCJHOUVOF-GFCCVEGCSA-N 481.563 2.322 10 20 JECD C[C@@H]1Oc2ccc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cc(O)nc(O)c3)CC4)cc2NC1=O 1821398721 ZAPJDBAELIALCR-GXFFZTMASA-N 495.517 2.208 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnnc2)[nH]n1 1823476441 GNCQLDQFXGOSPS-YERXGYGTSA-N 450.455 2.336 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2coc(Cl)n2)[nH]n1 1823495768 BHJCIXXVKXEYRC-LLVKDONJSA-N 468.948 2.217 10 20 JECD COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)c(O)c1OC 1823537920 OWFLVQOLJDJZND-NSHDSACASA-N 486.506 2.212 10 20 JECD Cn1cc2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cc(O)nc(O)c3)CC4)ccc2n1 1823950415 FXEUHZAPTYLPNF-AWEZNQCLSA-N 464.507 2.376 10 20 JECD CCc1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)s1 1828244842 SXHQIWPAFFJCJC-SECBINFHSA-N 481.650 2.248 10 20 JECD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)c1ccc(O)cc1 1828246632 GQLPTRQYDKHTPK-YPMHNXCESA-N 490.632 2.425 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3nccn3c2)CC1 1828306171 XUFGLHANVCNZQW-SFHVURJKSA-N 485.635 2.428 10 20 JECD Cn1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)cn1 1832271411 KLDYEAHYFBYCDE-HSZRJFAPSA-N 476.581 2.375 10 20 JECD COc1ccnc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1 1832900611 JFZMWCKNKQJAGZ-GOSISDBHSA-N 476.624 2.184 10 20 JECD Cc1ocnc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900873 LSOBEEXLUVFTSK-OAHLLOKOSA-N 450.586 2.077 10 20 JECD Cc1nc(CC(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c(C)s1 1843441351 LZOQDHJOKOZNAX-UHFFFAOYSA-N 451.552 2.299 10 20 JECD CC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc(F)cc1 1845007019 BAWLBKMJYMEMCP-ISPXXFMDSA-N 483.496 2.037 10 20 JECD CC(C)(C)OC(=O)NC12CC(C(=O)N3CC4(CCCN4C(=O)/C=C/c4ccc(O)c(O)c4O)C3)(C1)C2 1847039435 ORMLSKARHKHVMV-SOFGYWHQSA-N 499.564 2.467 10 20 JECD CON(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1Cl 108877801 VVUVICVKCNFIGM-UHFFFAOYSA-N 453.948 2.289 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)NS(=O)(=O)c3ncccc3C(=O)N(C)C)ccc21 728763909 JYUPJRKFAGSSIJ-UHFFFAOYSA-N 458.540 2.120 10 20 JECD CN(CCN1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1)Cc1ccccc1 729601072 ZPVZJHHJZIHICZ-UHFFFAOYSA-N 451.615 2.482 10 20 JECD CCOC(=O)c1cc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc([N+](=O)[O-])c1 742927640 WPHJVJSXGLEAKG-UHFFFAOYSA-N 456.499 2.332 10 20 JECD COc1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1S(=O)(=O)N1CCOCC1 746752389 QXTPCRTVZWBQQX-UHFFFAOYSA-N 466.535 2.243 10 20 JECD C[C@@H](NCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1ccccn1 777652332 KTWPXUREBYZRSP-HIPSJFSSSA-N 470.576 2.479 10 20 JECD CC[C@@H](C)C(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 825331192 ZZSCPFZAKAABSY-DZZSIBQASA-N 450.538 2.322 10 20 JECD Cc1cc(C(=O)[C@H](C)N2CCN(S(N)(=O)=O)CC2)c(C)n1-c1ccc(OC(F)F)cc1 914787943 MAECBHNDRGGUPW-HNNXBMFYSA-N 456.515 2.088 10 20 JECD CNC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cn1C 914791500 SYAGGBFOGWHHNB-UHFFFAOYSA-N 451.505 2.407 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)CC2)cc1 918462474 VJIHQDBPACWFOO-UHFFFAOYSA-N 474.583 2.059 10 20 JECD COc1ccc(-n2ccc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)n2)cc1 920639578 NEXHOSQPGQRNDQ-UHFFFAOYSA-N 468.485 2.330 10 20 JECD CC(C)CN1C(=O)/C(=C\Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)NC1=S 920974398 KGTUFGDHERUGAX-ZROIWOOFSA-N 465.582 2.139 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(NC=C2C(=O)NC(=S)NC2=O)c1 920978635 ALCPZRDHMFMVFZ-UHFFFAOYSA-N 492.554 2.475 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3ncnn3c1)C2)c1cc(O)c(O)c(Cl)c1 1781122337 ZVBVNRJTCMLSRU-WZONZLPQSA-N 485.928 2.235 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(OCC(F)(F)F)c(F)c3)C2)C1 1781439517 DYHIUKXPTCFMPU-NRFANRHFSA-N 499.417 2.330 10 20 JECD CCOc1ccc(Cl)cc1C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1781747695 FTUXLNUSRUIWCQ-OAQYLSRUSA-N 498.026 2.043 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1F)CCO2 1782007701 KWTRZNMPIXAKFU-OAQYLSRUSA-N 450.850 2.353 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)c(O)n1 1783221646 JSGMIECVJJZWSK-DVZPIYOVSA-N 483.521 2.053 10 20 JECD COc1cccc(/C=C/C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1783417296 WGSSDORHQXIHRJ-MEEZOJPKSA-N 480.517 2.369 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)COc1cccc(Cl)c1)CCO2 1785503051 AGVXRBFDHAFAMO-COIATFDQSA-N 488.924 2.379 10 20 JECD C[C@H](Cc1ccncc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1790576224 HNQIGAAYJJUPBF-BZVKRPRLSA-N 489.576 2.033 10 20 JECD O=C(CCCc1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1791726105 ZWXOPIIZCGFYHD-ZNTKURTCSA-N 481.549 2.214 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)s1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480737 RCKWFUAPZRPFOZ-VTEUUUEMSA-N 472.954 2.398 10 20 JECD CC1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1796931212 USYYQBHQIAZYEY-NUZGMZIFSA-N 451.571 2.149 10 20 JECD Cn1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc2ccccc21 1797280731 ZOHUGRVZZSGIOQ-MUJYYYPQSA-N 456.593 2.290 10 20 JECD Cc1nc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)co1 1805690458 GWRMUAYEMXWZOP-FDDCHVKYSA-N 472.505 2.491 10 20 JECD COc1ncccc1CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807994427 WZAQULVZXPULKI-JPYJTQIMSA-N 477.521 2.244 10 20 JECD Cc1nc2ccccn2c1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807995151 CTTWAAHLPNAVSF-HXOBKFHXSA-N 472.505 2.477 10 20 JECD Cc1nccc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n1 1808763172 HLYLKZQRSHZDCV-CYFREDJKSA-N 483.532 2.293 10 20 JECD Cc1nc(F)ccc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1811132637 TYHVZKQHNVJZQU-QVKFZJNVSA-N 451.458 2.364 10 20 JECD Nc1ncc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)s1 1814161722 BKRADKLHDLELTJ-CVCWVKEYSA-N 481.534 2.270 10 20 JECD CNc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1814186851 YRCIGGYPTVCYEV-UTKZUKDTSA-N 483.619 2.303 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc[nH]c3nccc2-3)[C@H]1c1cccnc1 1814189266 NXVYOEULKQROQG-YWZLYKJASA-N 494.602 2.089 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2onc3ccccc23)[C@H]1c1cccnc1 1814189969 MLMCBHJCAVRNPG-QRWLVFNGSA-N 495.586 2.403 10 20 JECD CC[C@H](C)[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1814851629 AUUODDQFWKLSFR-YRVVQQKDSA-N 468.583 2.221 10 20 JECD COC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146603 SHILNIWJQTUTSS-GOSISDBHSA-N 466.498 2.148 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2Cc3ccccc3O2)[nH]n1 1823500115 PXPCCMNOWOMZAU-NVXWUHKLSA-N 485.591 2.266 10 20 JECD Cc1cc(NC(=O)CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)no1 1827427899 VDJRXZMJDFZZLB-QGZVFWFLSA-N 471.514 2.051 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)[C@@H](F)c1ccccc1 1833654668 MWEWZFXUSBAVFN-QFIPXVFZSA-N 456.518 2.389 10 20 JECD O=C(Cc1cccnc1)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1834880119 SFXZDUYSLZXBHM-GQCTYLIASA-N 480.565 2.026 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccc(F)c(F)c1 1836321658 ZBNFUWVUSCGNLO-UHFFFAOYSA-N 460.481 2.270 10 20 JECD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)CCO3)n[nH]1 1839348443 SOFLWIOMWPNBBY-HHHXNRCGSA-N 491.592 2.438 10 20 JECD CC(C)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)on1 1839433244 AZONAASJEYDCOH-QFIPXVFZSA-N 479.917 2.246 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)Cc2cc(Br)ccc2O)C1 1845149637 KANPAXYDMZLCCH-UHFFFAOYSA-N 462.300 2.021 10 20 JECD O=C(/C=C/C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1)NCc1ccco1 1845501569 CKVJIMDEVBNUQX-SNAWJCMRSA-N 459.886 2.034 10 20 JECD NC(=O)COc1ccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 18820755 UVNFFQFIFLUXMA-UHFFFAOYSA-N 458.426 2.122 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CSCC(=O)N(C)C3CCCCC3)CC2)cc1 742920593 KMMAESVTVQTSFP-UHFFFAOYSA-N 462.660 2.458 10 20 JECD COc1ccc(N2CCCN(S(=O)(=O)c3cccc(S(=O)(=O)NC4CC4)c3)CC2)cc1 917759075 BHXDMXFLXMVTBP-UHFFFAOYSA-N 465.597 2.037 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 920195766 BIHKGRFLADTFNA-UHFFFAOYSA-N 471.579 2.494 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1115895734 RBIAQYOYHHBXED-FQEVSTJZSA-N 452.555 2.270 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)[nH]3)C2)C1 1779354288 DKZJQPRZSQUKCO-HTXHHYGKSA-N 481.427 2.307 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ncccc1Br 1779785158 CDIGZCQADIDINJ-QVKFZJNVSA-N 491.342 2.092 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@H]1CCCS1 1782754631 FIJFCVBDWZKSBC-YOSAUDMPSA-N 470.595 2.189 10 20 JECD COc1cc(F)ccc1CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1783308089 MOGYQYBCQUDLFO-NTKDMRAZSA-N 473.501 2.011 10 20 JECD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc(Cl)n1 1785506691 FDXCZNYQCPIHIY-OJZQOFKYSA-N 489.912 2.017 10 20 JECD COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)cc1 1786545406 UNULORZPDNGPPD-APTRMMRNSA-N 490.560 2.010 10 20 JECD CC(C)c1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)co1 1787537496 YNJITGCZGKPIMS-MDKPJZGXSA-N 479.537 2.184 10 20 JECD O=C(Cn1ccncc1=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1791041898 QYPYPKHDKBBVKW-UHFFFAOYSA-N 484.516 2.170 10 20 JECD COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc1C 1793895654 QHPDCVBAFSIZJY-BJWYYQGGSA-N 461.609 2.045 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)no1)C2 1796749341 WOKRLTJEJUMMIL-FCGDIQPGSA-N 499.568 2.350 10 20 JECD COc1c(Cl)cccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1801806386 QSFDYUSWGGWZGX-SYSDTLGTSA-N 488.924 2.382 10 20 JECD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)C(=O)OC(C)(C)C 1804285028 AFPQJUOBHOHSPA-NCSHHQJSSA-N 475.542 2.322 10 20 JECD Cc1nc[nH]c1CSCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810192379 AGZIOSDKTLOAHB-KSFYIVLOSA-N 482.566 2.172 10 20 JECD O=C(COc1cccnn1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1813388643 JOJZNDMLOWXCGA-BTYIYWSLSA-N 483.912 2.335 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccc(O)cn2)[C@@H]1c1cccnc1 1814162300 IHTCWOPBDQLGDF-ISKYRRHISA-N 476.489 2.332 10 20 JECD COc1ccc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)nn1 1814164302 YCOKMCVJERBGJP-QXUSOGCVSA-N 491.504 2.030 10 20 JECD CC(C)n1nccc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814189167 MTQCXWKMODSLQW-OXJNMPFZSA-N 486.623 2.039 10 20 JECD COc1ccc2[nH]cc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)c2n1 1816727047 CNMRRSVBDRVSRS-LLVKDONJSA-N 480.506 2.374 10 20 JECD Cc1ccc(C(=O)C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1 1816728357 MPRXKJQAEMTWHV-AWEZNQCLSA-N 452.492 2.366 10 20 JECD N=C(N)SCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146661 WMKWLOWRNJMVME-KRWDZBQOSA-N 482.570 2.211 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)C23CC(F)(C2)C3)[nH]n1 1823497199 SKRGTMBQZBSZPU-PIHIASKNSA-N 451.549 2.154 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)C(F)(F)Cl)[nH]n1 1823499723 VMFURNRHIAZLON-VIFPVBQESA-N 451.908 2.094 10 20 JECD CCC(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823707852 DAXSIHJOLVMTAA-KOLCDFICSA-N 466.947 2.348 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN)CC1 1827550217 VXHXFQBHDHCLRZ-YADHBBJMSA-N 487.645 2.283 10 20 JECD C[C@@H](Cn1cncn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716665 UDONLEUCVCLCOH-WMZHIEFXSA-N 491.596 2.327 10 20 JECD O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)NCc1ccco1 1829046349 MMZREYARAVKRNQ-YJJPMGAVSA-N 482.537 2.192 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1)[C@H](F)c1ccccc1 1833657661 WNTDBOBYGQDVAL-OAQYLSRUSA-N 492.642 2.129 10 20 JECD CSc1ncccc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988661 AQYSLIHKSISRDL-UHFFFAOYSA-N 471.583 2.109 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccc2c(c1)COC2 1835380121 OBKFLSJRHMIZDK-UHFFFAOYSA-N 466.538 2.022 10 20 JECD CC[C@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1835913737 GTRJOHVWCOMJJV-OZXSUGGESA-N 468.598 2.162 10 20 JECD O=C(CN1CCN(C(=O)CC2CCCCC2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 725802776 HJLZIUFRARJUBD-UHFFFAOYSA-N 460.594 2.393 10 20 JECD Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCS(=O)(=O)CC4)C3=O)c2C)c1 729153293 JZPPAOPTTNPWLV-UHFFFAOYSA-N 457.552 2.393 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)CC2)cc1 731185439 XFHRSLYEAPAVAP-JOCHJYFZSA-N 450.583 2.486 10 20 JECD CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 741735130 HPQXKRKSLIMBIU-UHFFFAOYSA-N 489.642 2.087 10 20 JECD CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc21 746989044 BGJQMMQLXMIJOB-IBGZPJMESA-N 482.537 2.008 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3cc4c(cc3Cl)CCC(=O)N4)cc2)C1 917929962 KWSCLKVLUHCJSY-MRXNPFEDSA-N 476.986 2.405 10 20 JECD Cc1ccc([C@@H](CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)N2CCOCC2)o1 918118872 VRCLLVLINUWTPK-IFMALSPDSA-N 469.586 2.162 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(C(N)=O)c(Cl)c3)cc2F)C[C@@H](C)O1 918287346 QABSXZQOPAKSHZ-BETUJISGSA-N 462.909 2.447 10 20 JECD CN(C)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c1 1780372526 IHRPQTKTYCZOBE-NTKDMRAZSA-N 454.527 2.000 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1781774800 NZERNIFLRPEEKZ-NKOINVLESA-N 487.440 2.008 10 20 JECD Cc1cnn([C@@H](C)C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1782513770 QTAHBRXAPHJLHS-IATMXGELSA-N 492.580 2.059 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4ccccc4)on3)C[C@@H]21)c1cc(O)nc(O)c1 1787292052 LKBGVTCIWBVIAN-KNBMTAEXSA-N 464.478 2.055 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3sccc3F)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537252 IWLIPUGEPJAGGA-QOKNQOGYSA-N 470.526 2.273 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cccc2nscc12 1790451514 KIKCKTJWHJZXIT-QITLCBANSA-N 454.508 2.010 10 20 JECD CC(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796307254 BHHUFZLIMQYOKE-MHXAIHSWSA-N 488.629 2.340 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)C1CCN(Cc2ccccn2)CC1 1796598808 KJDDKUVXHFLJGQ-WKCHPHFGSA-N 465.554 2.052 10 20 JECD CC1(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)CN(C(=O)OC(C)(C)C)C1 1796605763 ZVFBWVFBJGTZDF-BJWYYQGGSA-N 474.558 2.392 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(Br)CC1)C1=NN(c2ccccc2)C(=O)C1 1800172675 GMDLFFSYVYHVGE-RBVVOMGSSA-N 459.344 2.345 10 20 JECD COc1cc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c(C)c1 1802079765 VZASUXQQEWBMKI-PGTXOHQNSA-N 482.533 2.345 10 20 JECD CCOC(=O)c1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccn1 1807995043 MSJVDVKCLCGZQN-HTAPYJJXSA-N 491.504 2.093 10 20 JECD Cc1ccn(CC(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n1 1808465270 SKAWKEKVUANUJM-CJFMBICVSA-N 485.548 2.085 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cncs1 1816583995 AAVTWQZZASBDTG-NSHDSACASA-N 450.571 2.032 10 20 JECD CCc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)nn1C 1817362277 ULMUEWRLLFQSTO-AWEZNQCLSA-N 491.577 2.458 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1csnn1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817364534 VJDZIDPVMWOMOE-LLVKDONJSA-N 467.536 2.013 10 20 JECD CC[C@H](NC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1817462760 HYQYHDWDTOOUTE-LPHOPBHVSA-N 451.531 2.193 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1nc[nH]c1[N+](=O)[O-] 1818075486 FMCDUMQQBJRLRM-INIZCTEOSA-N 491.468 2.140 10 20 JECD C[C@H](Nc1nccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1818086227 VOLIUPQHDKJVND-FZMZJTMJSA-N 457.516 2.479 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC[C@@H]1c1cc(NC(=O)C2(Br)CC2)n[nH]1 1820942626 QWWKOIXKJBXUBA-GFCCVEGCSA-N 450.293 2.449 10 20 JECD O=C(Cc1c(F)cccc1F)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1822304624 CRXQEBPJBCBAOH-JTQLQIEISA-N 496.586 2.436 10 20 JECD Cn1cncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716008 ZOLCUEUPMXQDFS-OAQYLSRUSA-N 462.554 2.446 10 20 JECD CN1CCC(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)CC1 1828192315 JEWZKYKOWIGKNF-NKPGBKMFSA-N 472.567 2.227 10 20 JECD Cc1nnc(CC(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)s1 1828199492 VZQVQCQTPOIUGD-QDBLGGKGSA-N 487.563 2.288 10 20 JECD CC(C)[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)c1ccccc1 1830843035 IINWAHJQEOGXBG-WIOPSUGQSA-N 469.538 2.003 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)C1=CCCS1 1833510454 BHUHZXRSZPYKLG-GQCTYLIASA-N 473.595 2.409 10 20 JECD CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cn1 1839431579 AFAQJNRUXBBGNZ-HSZRJFAPSA-N 475.929 2.092 10 20 JECD Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1F 1840879679 AECNQLOBURDYSA-UVXPNCNTSA-N 486.496 2.034 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 1840881160 GJKUFOGFBOKIMY-QZUMHUQMSA-N 494.544 2.077 10 20 JECD COc1ccc(C2(C(=O)N3CCCC34CN(C(=O)CN3C(=O)CSC3=S)C4)CCC2)cc1 1845162795 OODGTNIAJHJWGO-UHFFFAOYSA-N 473.620 2.181 10 20 JECD CCO/C=C/C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1846501655 WSDKTYPNRJFGTO-ZPHJMFTNSA-N 489.569 2.287 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 729064091 OSTFDPSHTQMDJF-INIZCTEOSA-N 487.578 2.342 10 20 JECD C[C@H]1CC[C@H](C)N1CCN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 729595736 ACFPHDPZYGHNTG-PMACEKPBSA-N 461.626 2.487 10 20 JECD CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NCc1ccccc1O 748485561 KYLSSSDUKDMLKA-UHFFFAOYSA-N 461.540 2.220 10 20 JECD C[C@@H]1CN(c2ccc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cn2)C[C@@H](C)O1 917833736 SZHTXJOLIHUTNO-DBXWQHBBSA-N 451.571 2.327 10 20 JECD COc1cc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1OCC(=O)N(C)C 918216030 MIERABSQRPSRKX-UHFFFAOYSA-N 474.533 2.137 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCCS(=O)(=O)c3ccccc3)cc2)C1 921201420 NQPRWUIXFKXLPE-IBGZPJMESA-N 458.584 2.052 10 20 JECD CCN1CCC[C@H](CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 1338637025 CDYAOPDJIFYZJT-HXUWFJFHSA-N 455.582 2.473 10 20 JECD Cc1ccnc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1778170622 BCSYDFDIWZIGAA-ATIYNZHBSA-N 475.549 2.310 10 20 JECD COc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c1OC 1781033812 SOQXAZTVZKSMRQ-MZNJEOGPSA-N 489.500 2.090 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(OCF)cn1)C2)c1cc(O)c(O)c(Cl)c1 1781121297 NLZJHKWKEKSBKD-VGOFRKELSA-N 494.907 2.288 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4cccn4)cc3)C2)C1 1781722819 ZRNJSERCMSGHNM-SDFSIIPZSA-N 490.516 2.146 10 20 JECD COc1cc(C)ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792221108 CLXVEGHBGWQODG-AIBVMGEKSA-N 482.533 2.427 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C(F)(F)F)c1F)C2)c1cc(O)nc(O)c1 1796140335 KVDAMJAXLNYASI-KSPBDQMDSA-N 469.391 2.168 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@H]1CC(=O)N(C2CCCC2)C1 1796930893 IVQMWNFEIDZGFO-HXHBTQRASA-N 491.592 2.209 10 20 JECD Cc1nc2ncccn2c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1797533195 HQERPDWVNZZNSL-BJKLQHCMSA-N 463.494 2.120 10 20 JECD O=C(C[C@@H]1COc2ccccc2O1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1803459415 KPNLWVMEWITGMJ-SXMMONRFSA-N 490.516 2.438 10 20 JECD Cc1cccc(CCC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)n1 1804294222 JYUMHIBOSYCINE-FDDCHVKYSA-N 497.646 2.284 10 20 JECD COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1Cl 1804340367 KYEHUMKGGHJXDO-BTTYYORXSA-N 468.000 2.461 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc(F)s1 1804738971 MOVNIUUYHOZLJC-SCLBCKFNSA-N 478.596 2.462 10 20 JECD COc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807991136 GBDQTYNILUPRPJ-XDHUDOTRSA-N 478.505 2.295 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2noc3c2CCCC3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994603 VSXCVUVRGUZHPD-QRQCRPRQSA-N 463.494 2.388 10 20 JECD O=C(c1ccc2nc(CO)[nH]c2c1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810552225 QTMZYPMGBOCWMV-UHFFFAOYSA-N 465.510 2.020 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccc(O)cn2)[C@@H]1c1cccnc1 1814162302 IHTCWOPBDQLGDF-JPSNIWGYSA-N 476.489 2.332 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)CCCn2cccc2)[C@H]1c1cccnc1 1814191865 NUHVQJMPZBPMJQ-AVRDEDQJSA-N 485.635 2.230 10 20 JECD CN1CCN(CCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC3)CC1 1814583050 MGYIVQSFKSFNMM-CQSZACIVSA-N 494.017 2.071 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1coc(Cl)n1 1816177754 GKGNBOJPVWNMFV-NSHDSACASA-N 468.948 2.217 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3cncn3c1)CC2)c1cc(O)nc(O)c1 1816726305 SMRDJKZSHOVEDJ-ZDUSSCGKSA-N 450.480 2.137 10 20 JECD Cn1cccc1C(=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818147997 TYUVUVJYOFBVGG-LJQANCHMSA-N 487.520 2.416 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2)n1ccccc1=O 1820134643 MPRYAIAVEXQNQI-ZSDOXGQDSA-N 496.545 2.308 10 20 JECD O=C(Cc1ncccn1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708359 VLJMXZYMVVVPMG-LLVKDONJSA-N 459.915 2.466 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 1825712183 BJIIJDLXGAVLIR-NRFANRHFSA-N 476.537 2.208 10 20 JECD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)on1 1828194951 FIYLLHNXXCJPDD-QDBLGGKGSA-N 456.480 2.496 10 20 JECD O=C(/C=C/c1ccsc1)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1833139233 OUPVUBRMXZOARA-NPJCXYKHSA-N 494.573 2.011 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1837340269 YHSXLGQARKAMNK-VOIUYBSRSA-N 489.956 2.322 10 20 JECD O=C(CCCCn1cccc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1837624335 IGFFNUQQQUNNHC-XMMPIXPASA-N 491.972 2.493 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cnccc3Cl)CC2)CC1 1838029932 RULQUOMOMFCFSX-UHFFFAOYSA-N 460.918 2.467 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)cc1 1839349043 APYOCHLKBSNNTP-SANMLTNESA-N 465.550 2.143 10 20 JECD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(C)o1 1839431730 IZZJZWCXTDWHFY-QFIPXVFZSA-N 464.902 2.345 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C4CC4)cc3)C2)C1 1840881480 VQXWZRVTLRTUNK-LNYWEAQCSA-N 494.544 2.464 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)Cc2ccc3ccccc3c2)C1 1842661820 LASRPQDDTGVXAK-UHFFFAOYSA-N 453.589 2.446 10 20 JECD CC(C)(O)CC(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1842781785 DKJTXJFJYZIRRP-LJQANCHMSA-N 474.602 2.069 10 20 JECD C[C@@H](OC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 105001745 DPRVTCKJIAXMJK-ZIAGYGMSSA-N 455.488 2.157 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1C(=O)O 728015219 MHKGQVNIANWBCJ-UHFFFAOYSA-N 454.404 2.456 10 20 JECD CSC[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 728300535 HVZMGAFUVDVHRO-QHAWAJNXSA-N 459.612 2.388 10 20 JECD O=C(NCCCCN1CCN(c2ncccn2)CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 729614607 MAMVOCQEODJIMK-QFIPXVFZSA-N 468.602 2.475 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)CC2)cc1 743432818 SZMJLVZLKSYVKH-DEOSSOPVSA-N 482.581 2.130 10 20 JECD CN(C)c1ccc(CNC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1F 746975679 LVCPMKLIESWMCA-UHFFFAOYSA-N 453.496 2.115 10 20 JECD CCCCn1c(N)c(N(CC)C(=O)COC(=O)c2sc3nc(C)cc(C)c3c2N)c(O)nc1=O 749823547 ZBZILFAQVMNHHS-UHFFFAOYSA-N 488.570 2.350 10 20 JECD CN1C(=O)c2ccc(S(=O)(=O)Nc3nc(-c4ccc(NS(C)(=O)=O)cc4)cs3)cc2C1=O 861716393 QWTDKESZDGVJHJ-UHFFFAOYSA-N 492.560 2.208 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC2)cc1 915512608 YWPBPCRCJAQZJV-UHFFFAOYSA-N 465.466 2.295 10 20 JECD CSCC[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 919859891 JOKDMZQSRBBNLU-QHAWAJNXSA-N 459.612 2.436 10 20 JECD COc1ccc(C(=O)N2CCN(Cc3cc(C(C)=O)cc(CN4CCOCC4)c3O)CC2)cc1OC 921046884 IFJOSYXRIPEVCN-UHFFFAOYSA-N 497.592 2.402 10 20 JECD O=C(/C=C/C1CCCC1)N1CC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1781278719 QMNDPQXMWNHAKF-CFQHJMILSA-N 450.539 2.356 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1ncn(-c3ccccc3)n1)CCO2 1782005427 FCLFTMAADOLNJT-QHCPKHFHSA-N 483.912 2.089 10 20 JECD Cc1nscc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783220255 VRTOWVDHAVOOPX-RNJIHJBZSA-N 473.551 2.409 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)c3ccco3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540181 MHFSQAXXLILPJG-IEZWGBDMSA-N 486.475 2.144 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cc2cccnc2nc1O 1790366757 VLOSEXSARURWPC-AXHNFQJDSA-N 498.923 2.307 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3cccc(O)n3)CCC2)cc1 1792313897 HTOLRFXVCAXLQQ-UHFFFAOYSA-N 456.549 2.395 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cnn2ccccc12 1796934709 UZJKMNKLFXQEPS-GGPHIMKMSA-N 456.506 2.379 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c2c1OCO2 1799344849 QQQLKRNIQCCMTR-ZZPBQLPOSA-N 497.460 2.406 10 20 JECD O=C(CCOc1ccccc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1806354202 RAOFCORAQSATDT-WZONZLPQSA-N 498.630 2.417 10 20 JECD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)nn1C 1808464835 PMFVOKFXPCBSDK-IBVKSMDESA-N 499.575 2.165 10 20 JECD O=C(Nc1cccnc1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811805863 FARYXXXOBQMJKE-YWZLYKJASA-N 495.923 2.500 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)nc1 1814184726 DSTGKSJPYVJFTL-JPYJTQIMSA-N 497.646 2.284 10 20 JECD Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c(C)n1 1814190049 POSASJOLGMJTNR-UTKZUKDTSA-N 483.619 2.273 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)n1cccc1C=O 1815382525 HOYASDHBBGLGDF-WCQYABFASA-N 455.496 2.050 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3nc4ncccn4n3)sc2C1)c1cc(O)c(O)c(Cl)c1 1818309370 UNICMTXGTQCBLU-SNVBAGLBSA-N 485.913 2.185 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ncc(F)cc2F)[nH]n1 1823497279 TZEPZRJEXCBJPM-ZDUSSCGKSA-N 480.522 2.249 10 20 JECD Cn1c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)cccc1=O 1823708449 ZRCBUNIXXXVPFN-LLVKDONJSA-N 474.926 2.446 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876034 FMOKKLUEXNKSTF-OJYYBLKUSA-N 471.554 2.127 10 20 JECD CN1N=C(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CCC1=O 1832876944 OEJSJIPPYCHFEG-AIADIJKESA-N 484.553 2.045 10 20 JECD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)n1ccnn1 1832878661 YDPPWADMUIAWMT-IESGORFISA-N 469.542 2.289 10 20 JECD Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cn1 1832896289 BWNKOUBNYWLHLN-LJQANCHMSA-N 474.652 2.413 10 20 JECD O=C(CCOc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1834832965 OGFPMCCHLKQDDS-XMMPIXPASA-N 490.940 2.290 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)[C@@H]3CC3(F)F)CC2)CC1 1838274669 ZOZPBQBWAICDIA-WVMJFEGXSA-N 466.481 2.470 10 20 JECD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(C)n1C 1838387469 FRZKATDWLKNGBW-QHCPKHFHSA-N 477.945 2.090 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccoc4cn3)C2)C1 1839433571 XXSTUWUCWBSKDD-QHCPKHFHSA-N 487.896 2.276 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)[C@H](O)c2ccco2)C1 1841070121 CENVIUXBKVITDG-TZIWHRDSSA-N 498.580 2.235 10 20 JECD CCO/C=C/C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331619 QJZCASNSCPUIKF-RDPWEWGOSA-N 472.586 2.458 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)c1cnco1)C2 1844251594 JWOUCIFFBNZDKN-MRXNPFEDSA-N 486.525 2.039 10 20 JECD O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845500434 BDTXMFRYGGAYQB-HNNXBMFYSA-N 461.946 2.359 10 20 JECD CN(C)[C@H](C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2)c1ccc(Cl)cc1 1845844859 IUSIRBMWTYKHIR-SFHVURJKSA-N 481.043 2.006 10 20 JECD O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 15179985 NDALLOZEHSLYSG-UHFFFAOYSA-N 468.421 2.240 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CSc3ccc4c(c3)OCCO4)CC2)cc1 23474532 ZDXKFFYKQRMWGW-UHFFFAOYSA-N 458.536 2.451 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(-n4cnnc4)cc3)cc2F)C[C@@H](C)O1 727517760 VACBISBLXVVASM-CALCHBBNSA-N 467.501 2.493 10 20 JECD Cc1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)n1-c1ccccn1 914613858 MSMLYEMDEMNTQM-UHFFFAOYSA-N 498.561 2.306 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 916378590 PIHPKICHFVKYPI-FQEVSTJZSA-N 455.481 2.238 10 20 JECD O=C(NCCCn1nc2n(c1=O)CCCC2)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916630761 GGLUYTZPUFBRIN-UHFFFAOYSA-N 482.507 2.126 10 20 JECD O=C(Nc1cccc(CN2CCOC2=O)c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 918295762 FYOCZOKGDLZMPJ-HXUWFJFHSA-N 453.495 2.491 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)ccn3)C2)C1 1779457915 TYOOCTSELMBJNG-YSNSILARSA-N 459.886 2.009 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)C2)C1 1783814630 YVQNNIWCSBWYNI-QCVCZWRCSA-N 464.518 2.450 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cc(F)cc(F)c3F)C2)C1 1785088256 BIMLKZQSYUDIFT-KFVKGYIZSA-N 478.423 2.378 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1785337059 AYYFESDAALTGGS-QFIPXVFZSA-N 483.949 2.110 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H]1OCCc3ccccc31)CCO2 1785503230 DKRZZSJTKLKZKF-AZGJVMLZSA-N 494.544 2.351 10 20 JECD O=C(CNC(=O)c1ccco1)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1788253591 LZQSHCKKMXDOAY-UHFFFAOYSA-N 450.451 2.264 10 20 JECD O=C(Cc1ccc(O)cn1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1791938322 TYLKFKCWUXTODT-UHFFFAOYSA-N 470.576 2.324 10 20 JECD O=C(Cc1ccc(Br)nc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796604886 VHVHGLSJVFEXQW-QDMKHBRRSA-N 461.316 2.145 10 20 JECD O=C(CS[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1797799407 JOKUEKYZUIQRBM-GTYSZEQSSA-N 470.975 2.214 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)CNC2=O 1798222514 YBBOPDRHJHRGBW-KJZRSFJVSA-N 463.490 2.012 10 20 JECD COc1cc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)ccn1 1804283724 MTBWATUULQEJFQ-BAKRUHSUSA-N 467.522 2.491 10 20 JECD O=C(CCc1cnccn1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813447431 FMBUBSNIBVIHHM-YGZXLYEBSA-N 489.532 2.340 10 20 JECD CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162558 MAOLEASZJXHFGG-IUOPVHLWSA-N 468.554 2.291 10 20 JECD Cc1nnc(CC(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)s1 1814164011 OZUSNLWPEWDSFP-NGOAQKHGSA-N 495.561 2.320 10 20 JECD Cc1ccccc1NCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814185945 IWZBWJQEXWTFQC-JPYJTQIMSA-N 497.646 2.368 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)Cc2ccccc2F)[C@@H]1c1cccnc1 1814186620 UPEVVBGOFMGFDG-VGOFRKELSA-N 486.594 2.330 10 20 JECD COc1ncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cc1F 1816152546 MAZXKQFFEIGYEN-AWEZNQCLSA-N 492.558 2.119 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1nccs1 1816571578 VZCBFYADOAICPX-NSHDSACASA-N 450.571 2.032 10 20 JECD CCc1noc(C)c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1820656997 HRQPKFAPCUEJIF-JTQLQIEISA-N 479.609 2.088 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ncccn3n2)CC1 1828553016 KQQUMPZVNRPLKS-SFHVURJKSA-N 450.499 2.083 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)C(F)(F)Cl)CC1 1832021743 MFYJJHDCYMKBMV-GFCCVEGCSA-N 453.964 2.298 10 20 JECD O=C(Cc1cnc[nH]1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877608 UNTFGFVSIPNHKY-WSSFADSRSA-N 454.527 2.402 10 20 JECD O=C(c1cnc2ccc(Cl)cc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836419117 SQJQQGDDHGBQBG-DEOSSOPVSA-N 498.923 2.078 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1 1837902660 DSURGAYAPFDLQT-UHFFFAOYSA-N 464.906 2.106 10 20 JECD COC(=O)C1(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)CC1 1838687810 DNLBYBBECXMJDH-UHFFFAOYSA-N 480.945 2.317 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])C1 1845406826 QMJUULTXLHCTAJ-SOFGYWHQSA-N 457.414 2.381 10 20 JECD CN1CCCC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1847577937 ZAVRVXSUCYZNJC-LDVJMBRRSA-N 499.656 2.391 10 20 JECD CCn1cc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(=O)c2ccc(C)nc21 728317802 USIVFHKSMFYFQB-UHFFFAOYSA-N 482.512 2.174 10 20 JECD CC[C@H]1Nc2ccc(C(=O)OCC(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2NC1=O 729719040 KFKOSNDLDCUGPU-LJQANCHMSA-N 452.511 2.343 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3c(F)ccc(S(=O)(=O)NC4CC4)c3F)cc2)C1 729841306 DTCKGVDAZGTCSC-OAHLLOKOSA-N 492.548 2.037 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1 742822289 GKZJBPGYJKPRJV-UHFFFAOYSA-N 463.947 2.023 10 20 JECD CN(C)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1F 746978541 VTGPTDSIDRWTBJ-UHFFFAOYSA-N 456.490 2.386 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)cc2F)C[C@@H](C)O1 750130802 CAGTUVKJEYRRHS-QKLQHJQFSA-N 475.561 2.247 10 20 JECD CNC(=O)CN1CCC(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 914780209 SSBUQGFUMDYTQH-VBKFSLOCSA-N 466.654 2.056 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(N4CCOCC4)cc3C)CC2)cc1 915744975 XRWDAEDNCSNXGY-UHFFFAOYSA-N 495.624 2.107 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)cc2)C1 917832763 GCWXFHJLPIFEJW-GOSISDBHSA-N 490.651 2.093 10 20 JECD CC(C)N1C(=O)c2ccc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)cc2S1(=O)=O 919538238 VHIDEZZDESXXLC-UHFFFAOYSA-N 473.551 2.121 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H](O)COc3ccc4c(c3)OCO4)cc2F)C[C@@H](C)O1 920237215 GLJKKIHAHVZZRH-JFIYKMOQSA-N 475.517 2.407 10 20 JECD Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCCN(C)S(=O)(=O)N2CCOCC2)c1 1318621778 OTFFEVYWAMJHAX-UHFFFAOYSA-N 455.964 2.413 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cccc(C(F)(F)F)n1 1779684559 HXOOWGSARMAFRS-IIBYNOLFSA-N 480.443 2.348 10 20 JECD C[C@H](Sc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1784415754 IGIVNSMVYVVTPB-AVRWGWEMSA-N 493.589 2.185 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3F)C2)C1 1785201877 XWEVWZNNYOQESU-FQEVSTJZSA-N 469.391 2.408 10 20 JECD O=C(CCc1c[nH]c2ccccc12)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1787070527 XHIGESHLHZSMAU-LRQRDZAKSA-N 464.522 2.200 10 20 JECD Cc1ncccc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787537396 ROZCSHSLNGKXQH-SSPYTLHUSA-N 489.576 2.095 10 20 JECD COc1ccc([C@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1792826111 HRUOMMDSKASVIY-RXPSNABZSA-N 490.560 2.181 10 20 JECD O=C(Cc1ccc(F)cc1Cl)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1793741954 BNHKNGLMNZKNQJ-XHNJZIHCSA-N 498.942 2.404 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc2ccccc2o1 1796968407 NDHGBXFBGYWRCY-QUKZKKHZSA-N 464.474 2.466 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804291543 LTGMDGJCEXEDFK-ZWGCQNANSA-N 453.495 2.317 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1ccc(O)nn1 1805276030 QEPYIKLOHKMGAF-ORAYPTAESA-N 469.885 2.275 10 20 JECD O=C(CN1CCCCC1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1806884763 PNYPNKMVKDULGF-RLWLMLJZSA-N 488.592 2.366 10 20 JECD Cc1noc(N)c1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1807111119 LRPFHQZCATWJHT-QHDJWJGNSA-N 479.493 2.110 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c21 1807994267 FIMHBVOBIIMVII-QVKFZJNVSA-N 488.504 2.114 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccn3nccc3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996206 NKOJPFKHCIQZTE-JTSKRJEESA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccc2nc[nH]c12 1808005809 PTJIFFIMDTXFFR-NYHFZMIOSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1c[nH]c2ncccc12 1809116662 LFQHRVGIIJENCY-VFNWGFHPSA-N 458.478 2.398 10 20 JECD O=C(O)c1cnncc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1810806125 OICDVVRXXMFNPD-YJYMSZOUSA-N 497.895 2.268 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)n1ccnc1 1814161124 BSGOXFLHDRSEOQ-PLDLLUEISA-N 477.521 2.375 10 20 JECD CC[C@H](C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)N(CC)CC 1814185195 NDGMUIKRXXXTLU-UEXGIBASSA-N 491.683 2.068 10 20 JECD Cc1nnc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)s1 1815584626 AFMVXUXJZNTKAZ-QBODLPLBSA-N 487.563 2.288 10 20 JECD CCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367001 MROVYAQKAYQFJM-CRAIPNDOSA-N 496.593 2.153 10 20 JECD C[C@H](Cn1ccnc1)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828200054 JSHYPCVWGPPENB-MZVYLTKDSA-N 483.550 2.418 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832218138 FPHQSJUQLNVDOC-WMZOPIPTSA-N 490.651 2.329 10 20 JECD O=C(/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)NC1CC1 1832876261 GPDAKZQBHNHDJT-UPCOZZNVSA-N 483.565 2.271 10 20 JECD O=C(CCc1ccccc1)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1834429052 CEQZGCBKKCPJGC-UHFFFAOYSA-N 488.679 2.051 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3C[C@@]3(F)Cl)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835133966 QFQCHYGXTVAUQG-CYFREDJKSA-N 489.979 2.275 10 20 JECD COc1cc(C)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1839256239 RKQDDDAUXYBENJ-DEOSSOPVSA-N 490.940 2.452 10 20 JECD CC(C)Cc1cc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)n(C)n1 1843181792 SFCQCXJNVOGWLS-SOFGYWHQSA-N 454.527 2.266 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)COc2cc(Cl)ccn2)C1 1844351585 QMEKVNODIWMZFL-UHFFFAOYSA-N 467.913 2.110 10 20 JECD O=C([C@H]1CCc2ccccc2[C@H]1O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847034211 FHUZMRFDJUTODN-JOCXBXNISA-N 464.518 2.316 10 20 JECD C[C@]1(c2ccc(CNC(=O)NCc3ccc(N4CCSCC4)cc3)cc2)NC(=O)NC1=O 726233707 FAKXYTAYNSCZGW-HSZRJFAPSA-N 453.568 2.294 10 20 JECD C[C@@H](OC(=O)CNC(=O)Cc1ccc(O)cc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 726820373 AEMNQHGCQQXYCV-OAHLLOKOSA-N 486.480 2.397 10 20 JECD CC(=O)N1CCN(CCOc2ccc(CCNCc3ccc(N4CCOCC4)cc3)cc2)CC1 728063475 OXDPKAZTGWWCED-UHFFFAOYSA-N 466.626 2.398 10 20 JECD CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1Cl 729483487 XFPYAAQCQCJRFB-UHFFFAOYSA-N 489.978 2.151 10 20 JECD Cc1c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nnn1-c1ccc(OC(F)F)cc1 731182329 BRBYEFMRDWZEQF-UHFFFAOYSA-N 491.520 2.342 10 20 JECD COc1ccc(CC(=O)NCc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)N1CCOCC1 915084007 UVTCSWVBNNEWIC-UHFFFAOYSA-N 473.595 2.175 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)cc2)C1 918001867 XYDYVCDLADFTQA-XUZZJYLKSA-N 483.588 2.400 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)cc2F)C[C@@H](C)O1 918286690 KCHKIGNXBOCKRW-CALCHBBNSA-N 496.539 2.343 10 20 JECD Cc1nccn1CCCNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 918332225 IAJNAIIKPAMVJC-UHFFFAOYSA-N 459.484 2.426 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cnn(C)c3-n3cccc3)cc2F)C[C@@H](C)O1 919056425 FZDUAMTZFRQQSU-CALCHBBNSA-N 469.517 2.437 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NC[C@@H](CO)Cc1ccco1 919783335 STWSHJDLSPOJRY-IBGZPJMESA-N 468.533 2.186 10 20 JECD COCCOC(=O)Nc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 920319073 BCDVRUZNGJHMBN-UHFFFAOYSA-N 470.526 2.315 10 20 JECD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 920926444 OFYIKBDCNMFYMT-SFHVURJKSA-N 488.610 2.368 10 20 JECD Cc1c(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)oc2ccccc12 1777752047 IIQPHXSKBCVDFH-QFIPXVFZSA-N 473.576 2.045 10 20 JECD CCN(CC)C[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009202 TWHZHRDBNPTRRE-QRQCRPRQSA-N 453.967 2.173 10 20 JECD COc1ccc(F)cc1CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1782298714 LBKXYUQTBUXJQL-NTKDMRAZSA-N 473.501 2.011 10 20 JECD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)ccc1F 1785011706 YMBNCRIYNHXIAY-PTGVWUEVSA-N 472.469 2.108 10 20 JECD CCCc1onc(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787539490 KMFHYLHKWIJAHB-JLMWRMLUSA-N 493.564 2.322 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc(F)cc1 1789580888 VBXSKHKIYHZRAC-DFQPPGIBSA-N 456.470 2.249 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Cl)s1 1794173199 NNWYJVNUULBNNL-ZSBIGDGJSA-N 458.030 2.443 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3occ(-c4cccnc4)c3[nH]1)C2)c1cc(O)nc(O)c1 1796139884 UZUAKYNLDSCHLP-MFKICJERSA-N 489.488 2.146 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])cc1 1796404954 QIFMWEVEGYBOPF-OPVJXMOQSA-N 478.509 2.242 10 20 JECD CCc1nn(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)c1Br 1796420262 NIQWJUCBSMPMOR-CLLJXQQHSA-N 478.347 2.117 10 20 JECD CCOC(=O)c1c(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)c[nH]c1C 1796601158 ZYLJVCGGRJEBDW-BCDXTJNWSA-N 470.526 2.191 10 20 JECD CC(C)(C)OC(=O)N1CC(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796603255 HDFWGSMNDNNONX-BJWYYQGGSA-N 460.531 2.002 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(Cl)c3nncn3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995248 FSVICCRNMIJIRC-VLIAUNLRSA-N 493.911 2.217 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cnc2ccoc2c1 1808130399 LHOHSIGNIRMMCB-VFNWGFHPSA-N 495.586 2.403 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cnc2ccccc2n1 1808968594 XPVVNSLXRNRUMA-QMHKHESXSA-N 470.489 2.464 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cc2n(n1)CCC2 1809984805 GLIJYAHZVWQPCP-TVFRQAABSA-N 489.532 2.374 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cccnn1 1810728042 ZJRTUOFWDFOTGL-VACSHPSYSA-N 461.478 2.021 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811806456 OGVZNQKOQYCEHZ-FRIZHTMISA-N 489.960 2.173 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc3n[nH]cc3c2)[C@H]1c1cccnc1 1814189100 LZMGYTONKWYFPU-IERDGZPVSA-N 494.602 2.138 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1ncccn1 1816505584 BHAWITRKBOCHSU-VFADXPBXSA-N 450.455 2.336 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)CC2)c1cc(O)nc(O)c1 1816727107 DOJFYJASKUBUFX-NSHDSACASA-N 471.451 2.103 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc(N2CCOCC2)cc1 1817381755 DMWNBTFQKHUNBF-MRXNPFEDSA-N 495.561 2.326 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2nccnc2c1 1818492577 SMQLNPMXZKCCGK-ZDUSSCGKSA-N 462.491 2.432 10 20 JECD COc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)c(O)c1 1821967563 PYKKWKIBWOIXKM-LLVKDONJSA-N 456.480 2.203 10 20 JECD Cc1onc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c1C 1823496571 KJWJBCHAOSWYNN-ZDUSSCGKSA-N 462.557 2.181 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CNc3ccccc32)[nH]n1 1823497678 HARBZGCCILIYFG-PBHICJAKSA-N 484.607 2.471 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC[C@@H]1C1CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)CC1 1827423838 KHHMBKNZYGFBFX-CYBMUJFWSA-N 477.411 2.081 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]nc3ncccc23)CC1 1827493717 QNWJRPXRUZOHRN-INIZCTEOSA-N 486.623 2.052 10 20 JECD COc1ccc(F)cc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1827632438 VSVXGCKLUJUNAX-LLVKDONJSA-N 494.595 2.377 10 20 JECD COc1nn(C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715446 UPSLCHQWUFKRSJ-JOCHJYFZSA-N 492.580 2.455 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(N3CCOCC3)n2)CC1 1827847841 LAYYVRPGYXKCGO-OAQYLSRUSA-N 495.580 2.272 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccccn23)CC1 1828175190 CJNGTVTTWFCTHA-KRWDZBQOSA-N 485.635 2.428 10 20 JECD O=C(CC1CC1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCN2C(=O)OCc1ccccc1 1829037371 FPYWUSMAMPPEQQ-AREMUKBSSA-N 494.548 2.359 10 20 JECD CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1832293512 NZJTXUBVPVLSPX-HHHXNRCGSA-N 496.608 2.033 10 20 JECD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(C)o1 1834094811 KRLTYYKXMVZNQI-JOCHJYFZSA-N 464.902 2.345 10 20 JECD CCn1nc(C(C)C)cc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988906 RFLNRBNWLHLLNI-UHFFFAOYSA-N 484.601 2.332 10 20 JECD CC(C)Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)cc1 1836418956 JCUZXELELIPDOU-VWLOTQADSA-N 469.538 2.075 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1839433551 WZAGQRKBMZISFT-MRXNPFEDSA-N 488.151 2.191 10 20 JECD O=C(C[C@H]1CNc2ccccc2O1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037934 XFSWBVICPZTAQO-LKUPDRCFSA-N 465.506 2.283 10 20 JECD CN(C)c1ccc(CNC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1F 746764190 PVCQOMUZGGBBDL-UHFFFAOYSA-N 454.499 2.373 10 20 JECD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)n2)c1 817972409 WXESQEINPBSJRD-UHFFFAOYSA-N 455.539 2.276 10 20 JECD C[C@H](OC(=O)c1cc(S(N)(=O)=O)ccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 918012587 ZFFSQTGOQGNOGP-LBPRGKRZSA-N 496.472 2.433 10 20 JECD CCCS(=O)(=O)N1CCC(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 918205138 HTALWZWNWWQFLL-IAGOWNOFSA-N 470.611 2.443 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3cc(F)ccc3NS(C)(=O)=O)CC2)cc1 918208819 FKQQIWVMIQNJKX-UHFFFAOYSA-N 464.563 2.148 10 20 JECD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 918306334 ZHWJQYCNFRWQQX-UHFFFAOYSA-N 472.611 2.331 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CCC(=O)N3CCC(c4ccccc4)=N3)nc12 918824374 BMLNQIOAFNYPQN-UHFFFAOYSA-N 465.466 2.072 10 20 JECD CC(=O)N1CCc2ccccc2[C@H]1CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 918915236 UIMRSHXWBCZKNA-XMMPIXPASA-N 483.540 2.358 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(N4CCOCC4)nc3)cc2F)C[C@@H](C)O1 919048088 ZIVYKUNUYQTINU-HDICACEKSA-N 486.544 2.144 10 20 JECD COc1ccc(CNC(=O)CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 920816190 JCVXXPMJUATBLF-UHFFFAOYSA-N 473.441 2.425 10 20 JECD CCOC(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)CC1 1785373853 RGFOGEWEJHBRDB-QHCPKHFHSA-N 495.960 2.063 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc(F)ccc3Cl)C[C@@H]21)c1cc(O)nc(O)c1 1787290216 JFWNXPFQXUFHJU-IWEFOYFVSA-N 463.893 2.121 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@@H]1[C@H]2C=CS[C@H]21 1790630643 IVXYLLHDWAHPJR-CYUZSUMBSA-N 450.944 2.220 10 20 JECD CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cc(C)n1 1792219562 ZCEJIDIVVMLYHH-WWJWVQJMSA-N 481.549 2.376 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCSCC2)cc1 1792467199 IYDIJHMMMHPZLR-BRTYFSMRSA-N 482.650 2.346 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccco1 1794615812 QWTOMNYQWSZNER-BAYUQKDNSA-N 498.580 2.201 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1ccoc1I 1796600402 FODCJNASMJDFOP-ZSBIGDGJSA-N 483.262 2.256 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc(Cl)cc(Cl)n1 1798299773 DYKFXMCBTCPWIV-XIRRHLMSSA-N 494.331 2.422 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)Cc2cscn2)C3)cc1 1799620707 RZGQDXPOYOLKDN-KZTDQWPFSA-N 493.633 2.324 10 20 JECD CN[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1)C(=O)O 1800513354 HBCDQULNZCPFGW-FVTFTPSCSA-N 452.555 2.409 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cnsn1 1805001197 GBSRBIVPEGTUIK-DNBICOFOSA-N 467.507 2.083 10 20 JECD Nc1ncc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)s1 1808467975 LOBRBKZPSLEZFS-KKSFZXQISA-N 489.561 2.233 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1n[nH]cc1[N+](=O)[O-] 1810636192 DGEJZENNQIAWBF-KPZWWZAWSA-N 486.872 2.411 10 20 JECD Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)o1 1814190855 AZACZIQLLUENRD-KKSFZXQISA-N 472.592 2.092 10 20 JECD O=C(Cn1cc(Cl)cn1)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1815409557 HSHPXRQQISTSRS-CQSZACIVSA-N 497.968 2.398 10 20 JECD CO/C=C(\C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361840 IIBKKVWYISLCKJ-FNDVETGQSA-N 453.524 2.398 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCO1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817367204 RZKAKYDIIXJLJR-GUYCJALGSA-N 453.524 2.027 10 20 JECD O=C(CN1CCSCC1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823705900 ABSYWHNBUWBXHA-GFCCVEGCSA-N 483.015 2.482 10 20 JECD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)C1(O)CCC1 1823739823 WDTDPJQTORVHAL-NVXWUHKLSA-N 467.657 2.018 10 20 JECD Cc1nccn1CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1824704376 BNSYFYRFAIQVBC-HNNXBMFYSA-N 477.550 2.053 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1826546730 SHGWMZFAIWFLTK-GXTWGEPZSA-N 489.648 2.189 10 20 JECD O=C(c1ncon1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716381 JLXXVPRDNCNXQH-IBGZPJMESA-N 450.499 2.096 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1828872521 QFYBYMJQSYYJBS-GCJKJVERSA-N 496.612 2.107 10 20 JECD Cc1cc(/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)no1 1832902503 OQXQPLXCKJDBQP-DUMMIQTOSA-N 476.624 2.476 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(N2CCC(NC(=O)C34CC(F)(C3)C4)CC2)CC1 1833517130 AJDLQRKRVIYMFH-DUXPYHPUSA-N 473.545 2.280 10 20 JECD Cc1ncc(/C=C/C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)s1 1834988411 PAPQBBFLDWRKCB-NSCUHMNNSA-N 471.583 2.156 10 20 JECD Cn1cccc1C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835134327 DKJMXGVHOJIRHW-UHFFFAOYSA-N 476.581 2.003 10 20 JECD CC(C)c1cc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)on1 1838554338 HCWUWGTUSCEZFF-UHFFFAOYSA-N 494.639 2.271 10 20 JECD Cc1n[nH]cc1C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1844774642 AZIHSJUCTFLYSA-GOSISDBHSA-N 499.568 2.082 10 20 JECD Cn1ncc(Br)c1C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501537 ZXGJWENHAIGDLC-UHFFFAOYSA-N 469.723 2.378 10 20 JECD COc1ccc(N2CCCN(C(=O)CCNS(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 108576345 DEBXNISFSPJCCY-UHFFFAOYSA-N 477.583 2.120 10 20 JECD CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 727246513 LEMDLLNDNKMXIF-UHFFFAOYSA-N 478.577 2.404 10 20 JECD COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3cccc(C(=O)NCC(C)C)c3)CC2)cc1 727587279 JUDWYUHWOWOVAA-UHFFFAOYSA-N 487.622 2.345 10 20 JECD CCN1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)cc2F)CC1 730681958 VLDMXLXQHDNYRN-QHCPKHFHSA-N 497.571 2.340 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cc(F)ccc3N3CCOCC3)CC2)cc1 730863059 NADNQWDXTRERKA-UHFFFAOYSA-N 457.502 2.177 10 20 JECD CC(C)NS(=O)(=O)CCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 746374290 DJPFAKCWHGUPOH-KAMYIIQDSA-N 461.656 2.174 10 20 JECD CS(=O)(=O)N1CCC(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 914605186 ZZCFSJQRDSINOD-QINSGFPZSA-N 473.667 2.270 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H](CN3CCOCC3)c3ccccc3)cc2)C1 918118878 VSBRQOXISOUEHA-UPVQGACJSA-N 465.598 2.261 10 20 JECD C[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N(C)CCOc1ccc(Cl)cc1 920636722 YOIXCJYNAYSPKA-ZDUSSCGKSA-N 470.931 2.500 10 20 JECD C[C@H](NC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(N2CCOCC2)cc1 920872946 ZIGUZEXVXRINRL-FQEVSTJZSA-N 465.598 2.471 10 20 JECD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c1 920922072 BDAYAJGMGXXPRK-INIZCTEOSA-N 456.568 2.468 10 20 JECD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c[nH]1 1778320447 OTHQASPLNIYRKV-XHDSPZKDSA-N 455.511 2.281 10 20 JECD COCc1oncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781122772 MSOVIMHLAUNPFP-XMSQKQJNSA-N 479.917 2.327 10 20 JECD O=C(C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccc(Cl)cc1 1785503566 KMPXTKPBGQLZDE-CZDPRXMLSA-N 486.908 2.183 10 20 JECD Cc1ccc2c(/C=C/C(=O)N3CC[C@]4(C3)CN(C(=O)CN3C(=O)CSC3=S)CCO4)c[nH]c2c1 1785666357 SUNRDCVYXUGBFX-JURIHQFCSA-N 498.630 2.180 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(F)CCCCC3(F)F)C[C@@H]21)c1cc(O)nc(O)c1 1787292485 YVUAWMKEUITGIK-TUQFVAEASA-N 457.449 2.004 10 20 JECD CC(C)Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)n(C)n1 1792219290 OZZWFXWCFHVPRZ-FGIMBEIOSA-N 498.580 2.042 10 20 JECD Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1795304145 HQRNKCFZNOVNOB-VPTLXERWSA-N 460.914 2.342 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc2cccnc2[nH]1 1797460536 NKPSMRMVTMFNID-ZSBFGKGUSA-N 456.886 2.145 10 20 JECD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800718097 FMHVMXSFSGTSGU-QKPAOTATSA-N 497.976 2.279 10 20 JECD Cc1nccn1CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1802885287 AIZZLMIABPFNPL-ASYHBGTLSA-N 454.527 2.440 10 20 JECD Cc1nn(C)cc1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1803829000 DGJSMRIUDDSLTO-VSEMJTJDSA-N 477.521 2.273 10 20 JECD COc1ccc([C@@H](O)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)cc1 1804283236 OBDHWJLFNVHFJM-LQZJLRLTSA-N 468.506 2.197 10 20 JECD O=C(/C=C/c1ccoc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1804324948 SEXDRRBDBXLODD-RIEYKTBPSA-N 470.576 2.254 10 20 JECD Cc1c(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cnn1C 1805924568 GWAMKODIYVTCNU-DVECYGJZSA-N 485.548 2.236 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2nc3ccccc3[nH]2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995906 KXGQVOAESHAVDP-YCRPNKLZSA-N 458.478 2.398 10 20 JECD Cc1ocnc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808470747 XQNHBSBVPLBTNJ-MBSDFSHPSA-N 472.505 2.491 10 20 JECD CCOC(=O)/C=C/C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)C1 1809035992 DZFNLDHPYCUEJR-ZIRGRKGMSA-N 458.511 2.167 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810547946 ZSXOYQHHMZYHFW-KRWDZBQOSA-N 474.558 2.347 10 20 JECD N[C@@H](Cc1cscn1)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)C1 1810800784 FVNITBICVFRNPB-YZTRRJNXSA-N 486.594 2.074 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cn1 1814185157 LOKGDJYYXJUDLU-AUSIDOKSSA-N 497.646 2.284 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(F)(F)C2)[C@H]1c1cccnc1 1814186108 XDPFHCLYFXWHRB-XUWXXGDYSA-N 482.578 2.383 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2nccc3[nH]ccc23)[C@H]1c1cccnc1 1814189561 SGVICGKBBWYANX-BTYIYWSLSA-N 494.602 2.138 10 20 JECD O=C(CN1CCCC1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1814600825 OJUZJNWMXAOPNU-LLVKDONJSA-N 464.931 2.056 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3c(c1)OCCO3)CC2)c1cc(O)nc(O)c1 1816724748 FZMIEEILEFGQBK-CYBMUJFWSA-N 468.491 2.260 10 20 JECD CC(=O)Nc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1 1816724896 CDVAQBAEBSTGNV-MRXNPFEDSA-N 481.534 2.376 10 20 JECD Cn1ncc(Br)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1818421321 LKYPYRHTUIPJMX-ZDUSSCGKSA-N 490.318 2.332 10 20 JECD CC(C)c1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)on1 1821665360 DSUUGDBKHRGESP-JTQLQIEISA-N 479.609 2.341 10 20 JECD Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)n1 1823496233 INGXJRFLCSHGOO-OAHLLOKOSA-N 458.569 2.279 10 20 JECD CC(C)(C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)c1ccccn1 1828249972 LZWPKHODNXSGTA-GFCCVEGCSA-N 489.648 2.288 10 20 JECD CCOC(=O)O[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899343 FCNMQRNCOIBVTH-ZBFHGGJFSA-N 485.628 2.028 10 20 JECD O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836418893 FBBLDACSVHSEBY-NRFANRHFSA-N 499.417 2.035 10 20 JECD O=C(/C=C/c1cccs1)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccc(O)c(O)c1O)CCO2 1840880447 PMAAAVMXAVYPHO-VIGSUJRPSA-N 486.546 2.048 10 20 JECD CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)C[C@H]2C[C@H]21 1841362390 GGMMILXJOPNUAG-RDGSOWEOSA-N 499.564 2.418 10 20 JECD COc1cccc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1F 1843443345 ZVIGYYSDUXIRRT-UHFFFAOYSA-N 450.470 2.444 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)Nc3cccc(-c4nnnn4C4CC4)c3)nnc2n1 108237764 HBNYRLIWUBVXMI-UHFFFAOYSA-N 480.562 2.102 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cc(F)c(S(C)(=O)=O)c(F)c3)CC2)cc1 727619030 SXRQIOTUONZZNZ-UHFFFAOYSA-N 467.494 2.101 10 20 JECD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 728206988 DKAWOJOXVPNQSO-IBGZPJMESA-N 477.656 2.297 10 20 JECD COCCS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 749732259 FZXRSLDXMYPJSJ-UHFFFAOYSA-N 450.532 2.137 10 20 JECD CCCCN(C(=O)CN1CCCN(c2ccc(OC)cc2)CC1)c1c(O)nc(=O)n(CCC)c1N 917089653 AMTOWHNZOBQWET-UHFFFAOYSA-N 486.617 2.295 10 20 JECD C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(S(=O)(=O)N(C)C)cc1 918105420 QJHHTQYPHNISBG-INIZCTEOSA-N 464.563 2.473 10 20 JECD CNC(=O)[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c2ccccc2O1 918308804 QQHPLTORUYCDJN-JOCHJYFZSA-N 450.539 2.176 10 20 JECD CCOC(=O)N[C@H](C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(C)C 919761858 PUUCLANBDGIMEN-FQEVSTJZSA-N 458.538 2.329 10 20 JECD CN(C)C(=O)C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 920048499 IRSXZEVSTPCLLH-RBBKRZOGSA-N 451.571 2.407 10 20 JECD C[C@H](NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(=O)NCc1ccccc1 920055545 ZIDMXIVJPPQKES-IBGZPJMESA-N 491.571 2.446 10 20 JECD COc1cccc2c1C[C@@H](C(=O)N1CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C1)CC2 1777851296 YCHCOVRSEMOGMO-CFESPSLPSA-N 495.576 2.434 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)[C@@H]1[C@@H]2CCC[C@H]1c1ccccc1N2 1795500116 OWMSHCNEEDPTNO-FYFUJFLGSA-N 478.549 2.074 10 20 JECD Cc1cc2nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CN3C(=O)CSC3=S)C4)[nH]c2cc1C 1798362798 ZKKSKPIAAWXSJT-QDMKHBRRSA-N 471.608 2.292 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc(O)ccc1F 1799528682 OUNXFMUEIWBSAO-KSPBDQMDSA-N 450.850 2.113 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ncccn1 1805784946 URXMPMXHBOXUQN-RSQDCTEOSA-N 461.478 2.021 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2CCc3sccc3C2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994214 SZGZIWWGHXSJSZ-BXKMTCNYSA-N 493.589 2.327 10 20 JECD CCOCCC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808470264 VGSWSNGAEQYZSZ-DVECYGJZSA-N 463.538 2.307 10 20 JECD O=C(CN1CCCCC1)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1809528689 SGPTYLSCSXHLAZ-UHFFFAOYSA-N 465.598 2.496 10 20 JECD N[C@H](C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)C1)c1ccccn1 1809800174 XFUCRNQCRCQZRI-PVHVJQTOSA-N 466.538 2.143 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc2cccnc2[nH]1 1809901827 SNQNCLHBDYXETL-HRAATJIYSA-N 458.478 2.398 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)C(Cl)(Cl)Cl)[C@H]1c1cccnc1 1814190192 SRLHHDNOQWDAMH-FZMZJTMJSA-N 495.841 2.318 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3c[nH]c4nccc-4c3)sc2C1 1816841368 SHGAUKTYZPKGNG-GFCCVEGCSA-N 486.604 2.057 10 20 JECD CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823707853 DAXSIHJOLVMTAA-MWLCHTKSSA-N 466.947 2.348 10 20 JECD Cc1nc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)o1 1829299560 QYTGURWRHIPFIZ-INIZCTEOSA-N 464.613 2.385 10 20 JECD O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836418894 FBBLDACSVHSEBY-OAQYLSRUSA-N 499.417 2.035 10 20 JECD O=C(Cc1cncnc1)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837198076 OYAHODACOUHZFB-UHFFFAOYSA-N 474.945 2.396 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)nn1C 1837453501 QPQZPKBBJIWWJF-GQCTYLIASA-N 484.553 2.171 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=COCC4)C3)C2)cc1 1839349300 NMSVSPDLQZZSTN-AREMUKBSSA-N 465.550 2.468 10 20 JECD O=C(c1ccsc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431902 VCBUFJCMXVCTNZ-HXUWFJFHSA-N 452.916 2.197 10 20 JECD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)c1ccc(O)cc1 1839433797 VGQKBPGQTILFON-OYLFLEFRSA-N 490.940 2.331 10 20 JECD Cc1ccc([C@@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1 1840881096 CGSDCNOPEOEUDT-NYYQPMLUSA-N 496.560 2.385 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2ccc3nc(CO)[nH]c3c2)C1 1843671179 PWUJTEMBLIWPQP-UHFFFAOYSA-N 456.886 2.251 10 20 JECD COc1ccc(CC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)cc1F 1847037842 WGOQBTVORWDIAD-VMPITWQZSA-N 456.470 2.410 10 20 JECD O=C(CCc1cnc2ccccc2c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847050546 BVKSHGIJHAUHNG-UHFFFAOYSA-N 468.604 2.231 10 20 JECD C[C@@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 14810825 JDYDAGXGMHVTNP-CQSZACIVSA-N 484.530 2.004 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 22873291 FBEFMPMRNABGBG-XMMPIXPASA-N 454.502 2.088 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(CS(C)(=O)=O)o3)cc2F)C[C@H](C)O1 726047010 NCOMQZVMPZOFPS-GJZGRUSLSA-N 482.530 2.050 10 20 JECD C[C@H](NC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)c1ccc(N2CCOCC2)cc1 726709753 ZILCWYXJOFEDTR-SFHVURJKSA-N 454.575 2.169 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 742948554 YGKDRYLTTHKJLI-UHFFFAOYSA-N 496.633 2.455 10 20 JECD COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3nc(-c4ccccc4)no3)CC2)cc1 914469507 BYRDFGFNZLVYLK-UHFFFAOYSA-N 456.524 2.009 10 20 JECD CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 918463247 KCHGPEKQUYYACY-FQEVSTJZSA-N 479.581 2.125 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CN3C(=O)[C@@H](C)Oc4ccccc43)cc2F)C[C@@H](C)O1 919048670 LXSIXTIFGIGJPM-KZNAEPCWSA-N 499.539 2.413 10 20 JECD Cc1cc(C(=O)COC(=O)CN2CCS(=O)(=O)CC2)c(C)n1-c1ccc(Br)cc1 919137141 MKDGUWWZSWFPBQ-UHFFFAOYSA-N 483.384 2.313 10 20 JECD COc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C(=O)N(C)C)cc1OC 920926424 NVBSZWOOUZZLMH-MRXNPFEDSA-N 484.553 2.058 10 20 JECD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)n(-c2ccccc2)n1 1778121866 MOIUNLKEIGDMIJ-QFQXNSOFSA-N 491.548 2.428 10 20 JECD O=C(CC12CCCN1CCC2)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007331 CGZIPFFHYHEFTA-HSZRJFAPSA-N 463.962 2.213 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc3ccccn13)C2 1783222339 OBNDTGKYSQZJMW-LEKYLPEBSA-N 492.532 2.292 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 1784158506 AYMHWXRCNJFWIB-NRJZREQNSA-N 473.476 2.168 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccoc3C1)CCO2 1785504123 XTQOETHKJUPPKQ-ZCPCWXMPSA-N 468.506 2.045 10 20 JECD O=C(CN1CCCCC1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1787898325 ZZOCOSJOJRRKTN-UHFFFAOYSA-N 460.625 2.467 10 20 JECD COc1cc(OC)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1 1792218261 OQQHJHDFSJYYDK-KIANVHPZSA-N 498.532 2.127 10 20 JECD CCCCC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792241817 HGLTWCJCEJPNQZ-QAETUUGQSA-N 455.646 2.043 10 20 JECD Cc1ccc2[nH]cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)c2c1 1793967666 GYMBZXBENXEUDT-VXECKQGCSA-N 499.571 2.401 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C1=NN(c2ccccc2)C(=O)C1 1794027684 BHGVKNSILRFTNS-RPHTVSPISA-N 491.592 2.209 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc[n+]([O-])c2)cc1 1794250915 LBDQKBJKZQZFGX-ACHVPNTGSA-N 460.534 2.245 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cc(Cl)n1)C2 1802080135 ANVOCQVUJKKKBH-XIRRHLMSSA-N 494.331 2.422 10 20 JECD O=C(Cc1ncccn1)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1807231957 KOXOGAAQPHTUKM-UHFFFAOYSA-N 460.538 2.043 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnn3ccccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995997 LTFHUXXSDDQNIE-AOMKIAJQSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)COc2cc(Cl)ccn2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996143 YUNYUDZFPHQPSC-IVZQSRNASA-N 483.912 2.335 10 20 JECD COC(=O)c1ccc(OCC(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)cc1 1810549963 MGGSZGWPLJFOPG-UHFFFAOYSA-N 483.521 2.203 10 20 JECD Cc1cncc(CCC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1814186297 ZSBJMIMIWHPYHW-XXBNENTESA-N 497.646 2.284 10 20 JECD Cn1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)cn1 1816450069 JZPCNAFGURKBIV-LJQANCHMSA-N 460.498 2.242 10 20 JECD Cc1ccn2c(C(=O)N[C@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)cnc2c1 1816729074 QFCYJTXSYWOIQI-ZDUSSCGKSA-N 464.507 2.445 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cccc4c3OCC4)sc2C1)c1cc(O)nc(O)c1 1817991494 FGYNDSVAAKGTCB-CYBMUJFWSA-N 452.492 2.424 10 20 JECD Cc1cc(C)n(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)n1 1822667900 BYAHIKUORQLLNG-INIZCTEOSA-N 489.627 2.166 10 20 JECD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)n1cncn1 1822765406 DKEFSANQIFFJFV-BEFAXECRSA-N 475.513 2.047 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1824403982 ZESXPGIBOPHLQZ-OJYYBLKUSA-N 473.570 2.351 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2[nH]nc3ccncc23)CC1 1827488746 SVQKSMNRSHZBDL-QGZVFWFLSA-N 486.623 2.052 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]nc3ncccc23)CC1 1827490522 NQAULEOEJDEKHT-KRWDZBQOSA-N 450.499 2.311 10 20 JECD O=C(c1ncon1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716382 JLXXVPRDNCNXQH-LJQANCHMSA-N 450.499 2.096 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)COc2cccnn2)CC1 1832193576 DUTOVBQXMZLTQB-QRBZPYHOSA-N 482.537 2.305 10 20 JECD O=C(c1cccn2ccnc12)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902710 RFMAJGBHYHHOMA-GOSISDBHSA-N 485.635 2.428 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccn(-c2ccccc2)n1 1836173212 SEVOWPOEPPKTKE-UHFFFAOYSA-N 490.564 2.178 10 20 JECD O=C(c1ccc(Cl)nc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432389 MLTKBQLISITNGV-NRFANRHFSA-N 482.320 2.183 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(F)(F)C3)C2)C1 1839432503 QNJMPGDUGFZXDR-XCLFUZPHSA-N 474.888 2.257 10 20 JECD Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1F 1840879681 AECNQLOBURDYSA-VQEXNLMWSA-N 486.496 2.034 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1841358359 HWCOYDNCEBWVMG-LOWQCSRCSA-N 475.542 2.181 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 1841401059 QFUOQGYWFXYEAK-KGLIPLIRSA-N 465.547 2.132 10 20 JECD COC(=O)N[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O)c1ccccc1 1847450794 AEPZDEKYJUKCON-IGLNYDBJSA-N 481.505 2.116 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 726237287 XUPSWCIXNXFGGR-HSZRJFAPSA-N 452.555 2.431 10 20 JECD COc1ccc(N2CCC(NC(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 726562778 PCJXLFICMWPPMJ-UHFFFAOYSA-N 453.511 2.427 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)NS(=O)(=O)c3ccc(CNC(N)=O)cc3)ccc21 728770441 SHKZUUKOMZCYOF-UHFFFAOYSA-N 458.540 2.192 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3CS(C)(=O)=O)cc2F)C[C@@H](C)O1 746989445 IGZQQEBLFQKLMK-HZPDHXFCSA-N 477.558 2.239 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OCC(=O)O)c(C)c2)cc1OC 748691712 PAWWBXYCCPNKHY-UHFFFAOYSA-N 458.514 2.029 10 20 JECD O=C(CN1CCOCC1)N1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 839394657 OXXOPSWUEPMLMG-QHCPKHFHSA-N 490.564 2.210 10 20 JECD CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccc(N2CCOCC2)cc1 917019373 CPSUAAZMQKRDJH-UHFFFAOYSA-N 456.562 2.247 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cc(F)c(OC)c(F)c3)CC2)cc1 918249640 IXLSMXTVAATOTB-UHFFFAOYSA-N 462.497 2.249 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1 920253244 WETBFUMYDMQYCV-SCOAYWHSSA-N 450.495 2.258 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2)C1 1317963560 HFNKMRVVJXSDNM-LJQANCHMSA-N 454.546 2.419 10 20 JECD C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(=O)NCC(F)(F)F 1318006119 XFDKPGZEIPZFHY-NSHDSACASA-N 456.387 2.408 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1cc2ccoc2s1 1777834892 SAEPVVVPJXKGTQ-QVKFZJNVSA-N 493.632 2.482 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc(Cl)nn1 1779632356 FKDVWSYXZMOYGV-NGPOVVJUSA-N 488.928 2.088 10 20 JECD COc1cc(C)ccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1782915198 OVDTVOZEGSRHBJ-NTKDMRAZSA-N 455.511 2.251 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3cc(O)ccc3n1)CCO2 1785505425 HUIRWBNCEKLLKG-ZOOUZETPSA-N 491.500 2.214 10 20 JECD CC(C)(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2)NC(=O)OC(C)(C)C 1793150713 VGIAIXPFJZIEPR-MUJYYYPQSA-N 462.547 2.438 10 20 JECD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)c(=O)[nH]c1C 1794311956 WQNYMMNWUURRQR-IUTQVRIDSA-N 489.576 2.311 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1c(Cl)cccc1Cl 1798810361 KECCCLHMSNFFQP-KSPBDQMDSA-N 452.294 2.317 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(F)(F)F)CCC1)C2 1802080007 DLDBPSCLWCSDQD-TZXXEAQYSA-N 470.444 2.139 10 20 JECD O=C(CN1CCc2sccc2C1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804271540 ULFPVKHROLRXAG-MZNJEOGPSA-N 493.589 2.327 10 20 JECD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804289136 XOAZFHWCZBJWJT-PAWRGXFHSA-N 497.523 2.412 10 20 JECD COc1ccccc1OCC(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1805168963 JNMXIHVQRQITGV-UHFFFAOYSA-N 455.511 2.425 10 20 JECD COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1807990877 KMZNSCLRFOCEQZ-MHECFPHRSA-N 462.506 2.459 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2[nH]cnc2-c2cccnc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996095 XVBVDNQFLLOIEV-SBUREZEXSA-N 485.504 2.306 10 20 JECD O=C(C[C@@H]1CNc2ccccc2O1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810209004 COWAUOCLWPODLS-MVIPISOYSA-N 489.532 2.471 10 20 JECD CC(=O)N(C)CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811797049 ANOSMRVYOUNMHS-IIBYNOLFSA-N 474.945 2.334 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)N1C[C@H]2C[C@H]2C1 1814164169 SMCFODCQDLYARS-YMLLSCABSA-N 492.576 2.258 10 20 JECD CCC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814165456 GEBIRYOUNDOQBT-BAORSSAKSA-N 496.564 2.222 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)C2CCC(O)CC2)[C@@H]1c1cccnc1 1814167240 ZBIQBEUMHSKWDO-ZQGZALGQSA-N 481.549 2.469 10 20 JECD O=C(CN1CCSCC1)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1814416559 PPOGWFZBFUFEQC-QQOXCAACSA-N 487.582 2.281 10 20 JECD Cn1c(=O)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)nc2ccccc21 1817845400 MADLMMLJZVDJQE-KRWDZBQOSA-N 489.492 2.083 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCCCC2=O)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147961 RIQDCICGLQDYCV-HXUWFJFHSA-N 491.552 2.207 10 20 JECD CC(=O)Nc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)o1 1819398002 DGCZIPVZFKATHD-AWEZNQCLSA-N 454.443 2.387 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)nc2)[nH]n1 1823499834 ACGMGZKOCZNSPU-CYBMUJFWSA-N 462.532 2.110 10 20 JECD C[C@@H](Cn1ccnc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1826826206 QATWKJJRVJQTKJ-JKSUJKDBSA-N 491.577 2.381 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1826885677 DMLDJCWUGIEVIM-DGCLKSJQSA-N 455.496 2.038 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3c(c1)COC3)CC2 1828244489 IYMUUNXRJMVUAX-CQSZACIVSA-N 488.616 2.259 10 20 JECD Cc1ocnc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1829438158 WTAFKQPUECYXLJ-HNNXBMFYSA-N 450.586 2.077 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1scnc1C(F)(F)F 1834330050 SBIFEDSKVUYEHO-UHFFFAOYSA-N 499.515 2.467 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1n[nH]c2cccc(F)c12 1836496575 NOEYTEAAKMXHGP-UHFFFAOYSA-N 482.516 2.007 10 20 JECD C[C@@H](Cc1ccco1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433327 RJFOEOOFEBPRCC-WNSKOXEYSA-N 478.929 2.293 10 20 JECD COc1cccc(CCC(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)n1 1842006396 HRMWQCYSLUQQLX-JXMROGBWSA-N 453.495 2.056 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CC1 1843931806 CCLFOIFVWDAPFT-MRXNPFEDSA-N 474.558 2.347 10 20 JECD CC(C)(C)OC(=O)N1[C@@H]2C[C@H](F)[C@H](C2)[C@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846151715 SGHXORNNUVMVQJ-FPXQBCRKSA-N 490.532 2.046 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2ccc(N3C(=O)C=CC3=O)cc2)C1 1846890729 BRAXHMWIVPIOSP-UHFFFAOYSA-N 481.892 2.311 10 20 JECD COc1ccc(N2CCC(NC(=O)CSCCOc3ccc(S(N)(=O)=O)cc3)CC2)cc1 726561842 VJDUTBSBVCVPTO-UHFFFAOYSA-N 479.624 2.240 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)c1 729064008 NGTYUMVOCAZJAH-UONOGXRCSA-N 452.471 2.008 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 731015777 GEEPVDBCMOCDKS-UHFFFAOYSA-N 474.627 2.432 10 20 JECD COc1ccc(N2CCCN(C(=O)c3ccc4c(c3)S(=O)(=O)N(C[C@H]3CCCO3)C4=O)CC2)cc1 918655833 IBSNATZEFUGSAD-OAQYLSRUSA-N 499.589 2.371 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H](C)OC[C@H]2CCCCO2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 921217364 AZPWDOFUFBTQBR-IEBWSBKVSA-N 478.567 2.442 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)CCO2 1782004325 VCRBKVPMTDSEFF-YKSBVNFPSA-N 485.924 2.388 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCO2 1782006993 FGJOVVWVSCYTNM-QHCPKHFHSA-N 483.912 2.294 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(Cl)ccnc4c3)C2)C1 1782200514 JNRNPQYKDQUNLZ-HSZRJFAPSA-N 468.897 2.452 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4ccccc43)C2)C1 1784106654 KEWBNCKSVDOMPP-WXVAWEFUSA-N 472.545 2.339 10 20 JECD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1)c1ccc(Cl)cc1 1785539006 DDXBIBJPIZGTEY-SPLOXXLWSA-N 482.027 2.134 10 20 JECD Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1786586419 QSSZXHCQRLXLKZ-PTLVVNQVSA-N 490.560 2.146 10 20 JECD O=C(CCCc1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1791724658 HKRAUPQDXXQRBG-SSPYTLHUSA-N 489.576 2.177 10 20 JECD Cc1nn(C)c(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)c1F 1792313886 GTPQYSBSBGJUFP-UHFFFAOYSA-N 475.571 2.476 10 20 JECD O=C(/C=C/c1cnc[nH]1)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792315837 GGDXCDADHWGJNU-VOTSOKGWSA-N 455.565 2.417 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C(=O)Nc2ccccc2)CC1)c1cc(O)nc(O)c1 1793630339 LEBVAPRUSVNXIU-BCDXTJNWSA-N 450.495 2.164 10 20 JECD COc1cccc(-c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)nc(O)c3)C4)c[nH]2)c1 1794302167 NCBBQGVKEQUBIC-FEJSZKPUSA-N 478.505 2.014 10 20 JECD Cc1ccccc1NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1795697756 LQUYAGHTWNNOQF-VPTLXERWSA-N 459.930 2.375 10 20 JECD CC(C)(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c[nH]1 1796480490 JXOICECDMRYRQR-FEJSZKPUSA-N 477.565 2.308 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccccc3)[nH]n1)C2 1802080158 CIHXUMQQFXPMHS-RZMQENIISA-N 490.516 2.110 10 20 JECD CC(C)(C)NCC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1807094557 AQMNKIDEHMRPEP-NTKDMRAZSA-N 476.581 2.268 10 20 JECD COc1cnc(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)cn1 1808782117 KHDOTFUGOKXUAG-GQCTYLIASA-N 468.510 2.160 10 20 JECD CN1CCC[C@H](C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)C1 1814167121 YDLSDDHSYZTKQE-RCKLYUAKSA-N 480.565 2.259 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3noc4c3CCCC4)sc2C1)c1cc(O)nc(O)c1 1816759200 JCLBUOYUYJGABH-LLVKDONJSA-N 455.496 2.356 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147096 PYYCSPANCSLRON-HXUWFJFHSA-N 473.493 2.142 10 20 JECD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1)N1CCN(C)CC1 1821295051 YRKYQVINFCCPRK-KSSFIOAISA-N 490.992 2.416 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(Cl)cc4nn[nH]c34)sc2C1)c1cc(O)nc(O)c1 1821441622 USXPGWRKXBDNDV-SNVBAGLBSA-N 485.913 2.414 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@@H]1[C@@H]2C=CS[C@@H]12 1821709638 HTNMCUHLBVEBDX-QMYPXSFVSA-N 463.610 2.137 10 20 JECD COC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708530 FKFAZCNLJZOGMC-SNVBAGLBSA-N 453.904 2.387 10 20 JECD CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1830397930 RFAUROKVNHCQRA-VXKWHMMOSA-N 479.581 2.020 10 20 JECD O=C(CCn1cncn1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878492 QKNYMCMMKUUDBO-XZXOBPBMSA-N 469.542 2.118 10 20 JECD Cc1ccc(C(=O)NCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)cc1 1832912169 OGCAKTWTHWQPRP-OAQYLSRUSA-N 480.565 2.465 10 20 JECD Cc1cc2nc(C(=O)NC3CCN(C4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)[nH]c2cc1C 1835695266 BLCOBQZVEKBZSL-UHFFFAOYSA-N 492.580 2.485 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1839433431 VACIDRZVZBVMLC-JOCHJYFZSA-N 498.866 2.119 10 20 JECD COc1cc(F)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839435326 HDSBTDMQVPPZSY-HSZRJFAPSA-N 494.903 2.283 10 20 JECD C[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)CC1 1840529502 VKOGSHDGQONAJA-DYLHXGEVSA-N 482.581 2.062 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)CCc2ccc3c(c2)OCO3)C1 1842756369 NRACAFFDNYXIQG-UHFFFAOYSA-N 474.517 2.344 10 20 JECD O=C(C1CCN(c2ccccn2)CC1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038258 KBNHPRZQKKNENV-SOFGYWHQSA-N 478.549 2.332 10 20 JECD COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=S)NCCCN(C)c1ccccc1 726449799 QUPPRSZIZNAOLU-UHFFFAOYSA-N 491.683 2.444 10 20 JECD O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1ccc(N2CCCS2(=O)=O)cc1 726795660 WVKJXQFFCQHAJP-UHFFFAOYSA-N 467.638 2.258 10 20 JECD CC(C)[C@@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)S(=O)(=O)C1CCCCC1 728516361 QKXZMAMIOYGQKZ-NRFANRHFSA-N 470.657 2.310 10 20 JECD CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F 731356558 JICGIYQAEVEFFX-UHFFFAOYSA-N 485.603 2.171 10 20 JECD C[C@@H](OC(=O)Cc1ccc(S(N)(=O)=O)s1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 914962731 SZOPOWOWCZHGOU-GFCCVEGCSA-N 498.538 2.284 10 20 JECD C[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 915031417 UKKYBPJXVOQZNU-ZDUSSCGKSA-N 496.497 2.489 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN(C)C3=NS(=O)(=O)c4ccccc43)cc2F)C[C@@H](C)O1 917708414 BIRXMFVKKDQXQG-IYBDPMFKSA-N 474.558 2.136 10 20 JECD CCOC(=O)c1ccc(N2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)nc1 918220303 ALNRKMKPCAUTCP-UHFFFAOYSA-N 485.560 2.390 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 920871364 YEUFGVMFIFNTPO-OAHLLOKOSA-N 462.524 2.136 10 20 JECD C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)c1ccc(N2CCOCC2)cc1 920882804 ZEEFULNBEHWEEW-DYESRHJHSA-N 499.589 2.338 10 20 JECD CN1CCN(c2ccccc2CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 1115990716 QMSMEAQFJQWHEA-QFIPXVFZSA-N 464.614 2.140 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)on1 1780377037 NCMCPVQUQXDZDY-FIYNHDKVSA-N 457.483 2.072 10 20 JECD Cc1cc(F)cc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1 1781573233 UPCGDPDXXZUBKS-RUZDIDTESA-N 464.497 2.371 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO3)cc1 1781752972 YETVGOGVJWKALZ-BVZFJXPGSA-N 487.622 2.218 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008061 TVSNNADHOWWTMX-JOCHJYFZSA-N 483.949 2.110 10 20 JECD Cc1cccc2c(C(=O)N3CC[C@@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)n[nH]c12 1782478533 ARXWBRLNVCYOCI-UVXPNCNTSA-N 478.505 2.145 10 20 JECD O=C(Cc1ccc(F)c(C(F)(F)F)c1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783016717 XVAMZLDJNGEDHO-NRFANRHFSA-N 483.418 2.337 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cncc(C(F)(F)F)c1)CCO2 1785506690 FBUFPVBLEJKMFQ-YSNSILARSA-N 493.438 2.374 10 20 JECD CC(C)n1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1C(=O)O 1794756682 FGYFXDLQUGVTKZ-VBUUOAMHSA-N 492.536 2.207 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccn1 1794990798 MSZKTNFPTMUJIT-PLACYPQZSA-N 494.596 2.447 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccsc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480493 KCQKSJGVHXNQCE-MMXJWNFTSA-N 464.547 2.144 10 20 JECD CC(C)(C)OC(=O)N1[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C[C@H]2C[C@H]21 1796600798 FAUMJMUYGMOBRD-NPFDDYGESA-N 472.542 2.143 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1799379390 WUIDWHMTYAMLAI-BCEDRHLLSA-N 460.914 2.422 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(F)nc1)C2)c1cc(O)c(O)c(Cl)c1 1799767422 PFKTWQZRMYHCKL-YVWYUNDQSA-N 463.893 2.121 10 20 JECD COc1cc(F)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799770346 ORQYDCAGYXSVKN-DBWKPXFBSA-N 464.877 2.416 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cnc2ccc(Cl)cc2c1 1799927871 OGJIWEUUJFSKLE-VPTLXERWSA-N 468.897 2.211 10 20 JECD COc1cccc2c1C[C@@H](C(=O)N1[C@H]3CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C3)CC2 1801544695 GWKKUXGYXCMQJE-FJIDUMEYSA-N 487.647 2.299 10 20 JECD COc1cc(Cl)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1 1802082303 DAJULZLTFFNIEK-JGJYOGFUSA-N 488.924 2.382 10 20 JECD O=C1CSc2ncc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)/C=C/c3ccc(O)c(O)c3O)cc2N1 1804289269 AEQBUTGWXIMVHT-KOTZLPFRSA-N 496.545 2.208 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CCCN(C(=O)CN4C(=O)CNC4=O)C3)CC2)cc1 1806590767 ZCQQDRVBZNOGNO-UHFFFAOYSA-N 491.592 2.491 10 20 JECD O=C(CCN1CCOCC1)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1 1809589075 UJGOGHYWFHTOSA-UHFFFAOYSA-N 465.978 2.318 10 20 JECD COC(=O)CSCC(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811796528 IWOFTOQKJKHTGM-VLIAUNLRSA-N 493.969 2.372 10 20 JECD C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1813068531 OORHDTHKFIDPCO-MHALITNNSA-N 491.928 2.082 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2nccc3occc23)[C@H]1c1cccnc1 1814189575 SMKTZUAEBWSRRN-VFNWGFHPSA-N 495.586 2.403 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)ccc1O 1814190162 RRHOTMPIQVSWJA-UWJYYQICSA-N 484.603 2.276 10 20 JECD CCOC(=O)/C=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1816756297 WUULODRQTHDRBW-FNHGLRARSA-N 470.482 2.351 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cnn2ccccc12 1818514693 BCOKVHBPMRUMNG-MRXNPFEDSA-N 483.579 2.224 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@@H]1CC(c2ccccc2)=NN1 1821617232 VAHSJICDFITMRL-OALUTQOASA-N 475.509 2.288 10 20 JECD COc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1821931407 HNEPTSRPNRQOEC-NSHDSACASA-N 476.605 2.238 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CC2 1828198187 UOJSHOQYOMMDMZ-SNODMHLFSA-N 471.535 2.453 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc3ncnn3c2)CC1 1830157252 RLAGMWSUSURCQJ-LJQANCHMSA-N 464.526 2.012 10 20 JECD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)n1ccnn1 1832878660 YDPPWADMUIAWMT-CGLHPVKESA-N 469.542 2.289 10 20 JECD O=C(/C=C/c1ccsc1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833868336 JDSSYMWGRBQQIU-OWOJBTEDSA-N 456.568 2.453 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834987487 VXQJLBYCWKEQLE-QGZVFWFLSA-N 468.554 2.146 10 20 JECD O=C(Cc1c(F)cccc1F)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1836314070 PTCPGMTWYUGZNG-UHFFFAOYSA-N 474.508 2.199 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)c(C)n1C 1838516709 MYWODXFKKOYCCS-UHFFFAOYSA-N 492.667 2.114 10 20 JECD CC1(C)CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)C1 1840225827 RAAJNVXGPYNNAJ-QFIPXVFZSA-N 452.935 2.257 10 20 JECD C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)n1ccnc1 1847672942 QKYOPMPDZZLGCI-XGARDCMYSA-N 496.612 2.364 10 20 JECD CNC(=O)CCOc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 729785617 IREQYQUIZNZQNC-FQEVSTJZSA-N 455.511 2.053 10 20 JECD CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 747304984 NSLPSRDCQRGLGN-FQEVSTJZSA-N 489.617 2.086 10 20 JECD O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 748684299 AVYVGIWVHQCEDF-UHFFFAOYSA-N 466.566 2.027 10 20 JECD O=C(C1CC1)N1CCN(Cc2c(O)ccc3ccc(O)c(CN4CCN(C(=O)C5CC5)CC4)c23)CC1 914781979 SFJXCQRHYRPWTF-UHFFFAOYSA-N 492.620 2.359 10 20 JECD COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(F)cc4F)C3=O)CC2)cc1 915667520 WQUIUJOBGPWHKI-HSZRJFAPSA-N 458.465 2.089 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)cc2F)C[C@H](C)O1 918288334 UQQQQGBLVDOAOT-KBPBESRZSA-N 456.474 2.025 10 20 JECD COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c2ccccc2O1 918288468 VLZXFCNAESAYTE-DMPWYTOCSA-N 485.512 2.023 10 20 JECD Cc1ccccc1CN1CCC(NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 920638234 UREPAGITQRSVAY-UHFFFAOYSA-N 475.567 2.010 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1O)C2)C1=NN(c2ccccc2)C(=O)C1 1778126441 WJXBJYILNXYDSC-ATIYNZHBSA-N 476.533 2.313 10 20 JECD O=C(C[C@@H]1CNc2ccccc2O1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1778931097 HLCMUNNHMMFKDR-VOIUYBSRSA-N 487.940 2.458 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1779010408 WDAHELPGGPBHOA-XMMPIXPASA-N 487.940 2.224 10 20 JECD COc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)ccn1 1783221661 KCSHFAKDBLQWQN-NPRSQMDMSA-N 483.521 2.048 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c3nccc-3c1Cl)CCO2 1785508244 CEOIFHHWSGVMBE-JWZSXRADSA-N 498.923 2.442 10 20 JECD Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1 1789557578 LCUVLDBZBDFVCT-RRPUWOKSSA-N 460.534 2.381 10 20 JECD C[C@H](Sc1cccs1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792239212 XHCVYDXZBQCSFK-AJNGGQMLSA-N 499.705 2.069 10 20 JECD C[C@@H](Sc1cccs1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792239213 XHCVYDXZBQCSFK-QPSCCSFWSA-N 499.705 2.069 10 20 JECD COc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1OC 1799663221 XZQCRFDJKKGNPM-DBWKPXFBSA-N 494.903 2.425 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1cc(=O)nc2sccn12 1800716654 PYVWUOLDWMMCBN-CLLJXQQHSA-N 474.926 2.386 10 20 JECD O=C(CCc1cn[nH]c1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1804499064 AKCPLLSPRKZESB-CPJSRVTESA-N 485.548 2.236 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cnc1C 1804809202 XNWPMGDFOUWQCZ-DYESRHJHSA-N 483.619 2.273 10 20 JECD O=C(CCN1Cc2ccccc2C1=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810551296 GRWMNHQEELFKAF-UHFFFAOYSA-N 478.549 2.384 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cnn2cccc(F)c12 1812282070 JOAAINMXSIRRJC-QVKFZJNVSA-N 476.468 2.308 10 20 JECD CCOC(=O)O[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814165625 JHZLQCAIBQYYJS-GPUHFJCASA-N 499.520 2.479 10 20 JECD CC(C)CNC(=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1817333075 STHUVXQHGYTBDP-LLVKDONJSA-N 466.947 2.206 10 20 JECD CCCC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146848 IXXFVIVQAUGZBD-UZLBHIALSA-N 493.568 2.500 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cn2ccccc2n1 1818499497 SULJZRFVVNWZSD-HNNXBMFYSA-N 483.579 2.224 10 20 JECD Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)on1 1825968907 KYYXMASVSHQLST-HNNXBMFYSA-N 450.586 2.077 10 20 JECD CC(C)N[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)C(C)C 1827032657 STTDNIMELPOLIY-WIYYLYMNSA-N 482.716 2.489 10 20 JECD O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)NCc1ccco1 1827428364 PJDHLOJWDKZUPX-ROUKRRSUSA-N 482.537 2.192 10 20 JECD CCOc1cccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1O 1834987199 GDTANUYMIPGHQN-UHFFFAOYSA-N 484.553 2.096 10 20 JECD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccccc1 1834988167 ICAODYRJIJLBKT-KRWDZBQOSA-N 452.555 2.482 10 20 JECD CN1CCC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837003966 OAAPRPPLYXOKOI-IBGZPJMESA-N 465.978 2.458 10 20 JECD CCn1ccc(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)n1 1837538415 RDLSIDLDEOQFKC-UHFFFAOYSA-N 492.580 2.308 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)C34CCC(CC3)CC4)C2)C1 1840881813 PELLYUWAHCLIRZ-BTIDQCEASA-N 486.565 2.243 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)Cc2cc(Br)ccc2[N+](=O)[O-])C1 1841290550 IYQAKMHMXOUIPR-UHFFFAOYSA-N 491.298 2.223 10 20 JECD Cn1cc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c2cccnc21 1844151530 GLXRRUGJJZGUDX-UHFFFAOYSA-N 456.506 2.183 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccc(OC(F)F)cc2F)C1 1844713264 JTXVDOKJCBJRHP-UHFFFAOYSA-N 473.498 2.104 10 20 JECD O=C(Cc1ccc(Cl)c(F)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847051140 QMLWLQGWPABOEO-UHFFFAOYSA-N 455.964 2.085 10 20 JECD O=C([C@H]1[C@@H]2CCC[C@H]1c1ccccc1N2)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056886 SHBMHMOAUXELHQ-DJPFJPOOSA-N 484.647 2.428 10 20 JECD CCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9093038 WPBRGZADESPECP-UHFFFAOYSA-N 477.564 2.463 10 20 JECD CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@H](CCS(C)(=O)=O)C3=O)c2C)cc1 16573942 SGCNXEZRCWUXSC-IBGZPJMESA-N 461.540 2.031 10 20 JECD CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc1 302530581 GFZBOFZWWXUSTK-HXUWFJFHSA-N 450.539 2.354 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3C)CC2)cc1 726726772 AGKXIRKXRQQZAE-UHFFFAOYSA-N 480.565 2.200 10 20 JECD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2cc(OC)ccc2O)CC1 728980320 AZMBKEWRPWQBRK-OAHLLOKOSA-N 476.551 2.466 10 20 JECD O=C(NC[C@H]1CCCO1)c1c(NS(=O)(=O)c2cccc(-n3cnnn3)c2)sc2c1CCCC2 743729481 GYPAJSKLGZHHIC-OAHLLOKOSA-N 488.595 2.312 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(N2CCOCC2)cc1 749031874 CQHPAWHPTMKQEP-GOSISDBHSA-N 479.581 2.041 10 20 JECD O=C(COC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NC[C@H]1CCCO1 913361871 JOOSZPJYBXFODX-QVTJDRNWSA-N 499.408 2.489 10 20 JECD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2)CC1 914438346 QDFGOMJVNAMBCD-UHFFFAOYSA-N 484.622 2.410 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(C(=O)N4CCCCC4)CC3)CC2)cc1 916196414 FGLKGOMRNKLJBZ-UHFFFAOYSA-N 472.634 2.140 10 20 JECD CS(=O)(=O)c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)c(S(C)(=O)=O)c1 917252292 YIPUNENZMIDPIB-UHFFFAOYSA-N 452.598 2.314 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2F)C[C@H](C)O1 917917360 GCTQGAZWOIBTNC-GJZGRUSLSA-N 456.561 2.321 10 20 JECD CN1CCN([C@H](CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2cccs2)CC1 918117382 DDUSCAVJDSJHRD-IFMALSPDSA-N 484.670 2.238 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 918442642 MOUXJNVYLQSVPX-UHFFFAOYSA-N 475.553 2.139 10 20 JECD COc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CC2)cc1 920869172 OKXOPQIEUKBFCL-LJQANCHMSA-N 488.610 2.309 10 20 JECD CC(C)CN1C(=O)/C(=C/Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C(=O)NC1=S 920974222 DLQQLHOGGDZFTN-GXDHUFHOSA-N 471.004 2.320 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H](C)OC[C@@H]2CCCCO2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 921217363 AZPWDOFUFBTQBR-HKUYNNGSSA-N 478.567 2.442 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1779282858 DZXHKXISGRYZRH-FNZWTVRRSA-N 464.566 2.228 10 20 JECD O=C(/C=C/C1CCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1780746953 IBAPQKKPROJMRC-ZVLBRCSDSA-N 465.641 2.107 10 20 JECD CC(C)(C)[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781119613 QGEWJZBLBVEDEW-TVTNDZMWSA-N 454.951 2.286 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004546 ZZSBTWHVWAVVOQ-PSLXWICFSA-N 497.976 2.356 10 20 JECD COc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1 1785013997 TZEXGNQOTYCDAW-VWLOTQADSA-N 480.496 2.071 10 20 JECD COC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(C)c1 1785511910 YUBKNHXEIUKVPU-OZJHFHSKSA-N 496.516 2.055 10 20 JECD COc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)cc1F 1790242206 VBLVYFOFMULSLV-MIUNTBIASA-N 479.892 2.201 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(O)cc1 1792877386 SEJZXJVQKNEUBX-VVNPQTHQSA-N 454.479 2.239 10 20 JECD COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)c(O)c1OC 1796933187 YCIYHIOCMJNASO-VBUUOAMHSA-N 492.532 2.454 10 20 JECD COc1ccc2[nH]cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)c2c1 1797408073 GTNCRPYITWMNKK-PAYHOHGSSA-N 493.516 2.210 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CCCC3=O)C2 1802079486 CVOOUXKLANDFNY-NGMCGZGOSA-N 492.528 2.239 10 20 JECD O=C(C[C@@H]1COc2ccccc2O1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1803459404 KPNLWVMEWITGMJ-IZJXBPLLSA-N 490.516 2.438 10 20 JECD Cc1ccncc1CCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1804556069 TWILXNDXRPKSJD-AUSIDOKSSA-N 497.646 2.284 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)n1ccnc1 1808463189 AEAKDGPNHMMRCU-WWEVIYMKSA-N 485.548 2.338 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803898 OMCCFWPKXTWZSN-VLIAUNLRSA-N 455.902 2.432 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)n1cccn1 1813423700 YKTYMIKBBIANAK-LJFZDNNRSA-N 485.548 2.338 10 20 JECD CCn1nccc1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162058 FNDVWMSWSTVPKH-VSEMJTJDSA-N 477.521 2.448 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)nn1C 1814162370 IRIMYDRSZZKPPR-AEVOMHCASA-N 477.521 2.273 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CCc2cnccn2)[C@@H]1c1cccnc1 1814166695 TUFOCCXANOWTEI-UGCSDHPMSA-N 489.532 2.340 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cnn3c2CCC3)[C@H]1c1cccnc1 1814166853 UPKUGSMDUKQTOV-MWMWCICHSA-N 489.532 2.374 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1ccnnc1 1816388431 ZKNULMZFGAEYDA-YERXGYGTSA-N 450.455 2.336 10 20 JECD CC(C)(C)OC(=O)NCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816731919 XCIHURQMDMUDLC-CYBMUJFWSA-N 491.570 2.480 10 20 JECD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1)n1cncn1 1823479393 KEORVQJTOXIZQI-HDZMBNNRSA-N 467.486 2.085 10 20 JECD Cc1ncsc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823496250 IZPKTYFVMPKTEB-GFCCVEGCSA-N 464.598 2.341 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCS3(=O)=O)sc2C1)c1cc(O)c(O)c(Cl)c1 1824937718 XBIWIUAHLKABLF-MEBBXXQBSA-N 485.971 2.011 10 20 JECD CC(C)n1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)n1 1828199214 QEICGSOBZAKMHC-GBVBUYCNSA-N 484.538 2.372 10 20 JECD CC(C)(C)n1cc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cn1 1828239733 FSTTVHFTPVKIJI-LBPRGKRZSA-N 492.652 2.181 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]c3ccccc13)CC2 1828244548 JZOXVUNSOLNEIO-SNVBAGLBSA-N 486.604 2.106 10 20 JECD O=C(OCCO)c1ccccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1829669354 RLEKHEWZRLEEOL-OAQYLSRUSA-N 497.548 2.189 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc4sccc4s3)C2)C1 1836418333 OKCOHGGUEWOWEF-NRFANRHFSA-N 475.548 2.153 10 20 JECD Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1838940788 ZGIFRYJQWBOXKY-QHCPKHFHSA-N 460.914 2.443 10 20 JECD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(C)c1 1839025503 TZYJQLLNABWUQD-DEOSSOPVSA-N 490.940 2.452 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccno4)C3)C2)cc1 1839348777 LKECIDDMHPYEPF-VWLOTQADSA-N 464.522 2.466 10 20 JECD Cc1cc(C)cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1840881260 LACVUSOUJBEOJP-JFAKYYBVSA-N 482.533 2.204 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2n[nH]c(C3CC3)c2F)C1 1842291041 VCPMGBWVHMBRNJ-UHFFFAOYSA-N 450.474 2.036 10 20 JECD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)n(-c2cccc(=O)n2C)n1 1845501217 OFVNPHRSIFZDEE-UHFFFAOYSA-N 497.939 2.075 10 20 JECD O=C1CCc2ccc(C(=O)N3CC4(CCCN4C(=O)/C=C/c4ccc(O)c(O)c4O)C3)cc2N1 1847039410 MDRQCTHKGZPLEQ-RMKNXTFCSA-N 463.490 2.219 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)CC2)cc1 26449367 XKAZEEXAVJARHV-SFHVURJKSA-N 469.513 2.388 10 20 JECD Cc1c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nnn1-c1ccc2ncccc2c1 731340668 WKGDDIPGXDMAJS-UHFFFAOYSA-N 476.562 2.289 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)CC2)cc1 742919678 CDLVCMAGKFJUKW-QHCPKHFHSA-N 452.555 2.365 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(N2CCOCC2)cc1 749031876 CQHPAWHPTMKQEP-SFHVURJKSA-N 479.581 2.041 10 20 JECD CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 906373569 YRUGWMJXPQNJGX-UHFFFAOYSA-N 467.550 2.290 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 918284007 SWENMARGVIGNPA-UHFFFAOYSA-N 493.539 2.302 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(O)(c1ccccc1)c1ccccc1 918336421 ZUNZJAOZKAGTAJ-UHFFFAOYSA-N 450.560 2.474 10 20 JECD C[C@H](NC(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)c1ccc(N2CCOCC2)cc1 920869981 WQOVOHUVFNXEPW-VSKRKVRLSA-N 471.646 2.416 10 20 JECD CCN(CC)S(=O)(=O)c1cc(N/C=C2/C(=O)NC(=S)N(CC(C)C)C2=O)ccc1C 920980436 NYFUCNFCSDRDNO-WJDWOHSUSA-N 452.602 2.221 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1778677250 BVPJGMIMWSVGQP-QFIPXVFZSA-N 456.886 2.385 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)n2cncn2)CCO3)cc1 1781754992 DDCYGVPOMGMAMA-CPJSRVTESA-N 462.554 2.390 10 20 JECD Cc1ncc(/C=C/C(=O)N2CC[C@]3(C2)CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)CCO3)s1 1784685523 HPHCDTYJKWSJMA-UROCCOEBSA-N 479.562 2.088 10 20 JECD O=C(CCc1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1787108452 QFAJYWQYHSYVNY-KNBMTAEXSA-N 459.930 2.372 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccc2nccn2c1 1788058396 GSTRJMJYQFWHGW-QOKNQOGYSA-N 470.913 2.306 10 20 JECD COc1ccccc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792218097 WNAJZYQSDWNHGD-WZZVUOCDSA-N 496.560 2.438 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc(-c2ccccc2)on1 1792407701 YOQCAIOABQKRRH-RZMQENIISA-N 491.500 2.375 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1793828158 OAHCGNFEAPFFHK-BAYUQKDNSA-N 485.968 2.011 10 20 JECD COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1796930932 JMUQGAAWXNGFHX-FPPGBKCQSA-N 466.538 2.007 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)[C@@H]1CCCCO1 1802590533 YEFFHDSQFOFSCQ-ODLMUFPBSA-N 467.522 2.487 10 20 JECD CCc1[nH]nc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1Cl 1807995466 YZTPFJHBUWJZJK-XCLFUZPHSA-N 470.917 2.460 10 20 JECD Cn1ncc2c(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)cccc21 1807996566 VJZMEMNNVZLUBT-QMHKHESXSA-N 472.505 2.408 10 20 JECD COC(=O)CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807997876 GEUKEIQZKNJRNK-GAJHUEQPSA-N 470.526 2.331 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)[C@H]1CC=CCC1 1808150602 GFUFREHDJVMWGF-RIFZZMRRSA-N 458.609 2.304 10 20 JECD Cc1nccc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n1 1808467699 JLTDGCUWYRKGRF-DVECYGJZSA-N 483.532 2.293 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811803357 IGGNNXJPGRWSCN-JOTOCRJQSA-N 474.945 2.333 10 20 JECD Cc1cnn(CC(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)c1 1814163503 FFEDTKALHWEOHX-CTWZSZLHSA-N 477.521 2.123 10 20 JECD Cc1occc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814186819 XWRYUOJVESNWNA-HNAYVOBHSA-N 458.565 2.163 10 20 JECD Cc1nn(C)c(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)c1F 1817364176 PIFGOVXOELKZDJ-ZDUSSCGKSA-N 495.540 2.343 10 20 JECD Cn1cccc1C(=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817366775 GFTYQPBJOFJOBD-CQSZACIVSA-N 490.545 2.069 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccn2nccc2c1 1819212334 RWGDWHJLGPELDG-MRXNPFEDSA-N 483.579 2.224 10 20 JECD Cc1ocnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1820858665 CEFRJTWPLWPJFT-QBODLPLBSA-N 456.480 2.496 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(Cl)c(O)cc3O)CC2)CC1)c1cc(O)nc(O)c1 1834987136 DWARARACZBIQKU-UHFFFAOYSA-N 490.944 2.056 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3onc4ccccc34)CC2)CC1)c1cc(O)nc(O)c1 1834987579 XUWQLXOOXTXBJP-UHFFFAOYSA-N 465.510 2.133 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC(C)(C)O)CCO3)C2)cc1 1835272295 WPYKBYIABMDGFG-AREMUKBSSA-N 469.582 2.325 10 20 JECD CC1=CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)CC1 1835438443 PJNMWZHRVGVUOA-QGZVFWFLSA-N 478.684 2.165 10 20 JECD C[C@@H]1C[C@@]1(C)C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836366548 WBEKCIFUHNVXOO-WXTAPIANSA-N 465.598 2.397 10 20 JECD Cc1ccc(S/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)cc1 1837388127 JPQOGTJTAZJKCI-KPZSNFNVSA-N 485.562 2.177 10 20 JECD COc1cc(CCC(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)ccn1 1843441304 VSZPCMQSMCSAQG-UHFFFAOYSA-N 461.522 2.019 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2snnc2C2CC2)C1 1843578549 WQWUNYBUBXGLTI-UHFFFAOYSA-N 450.524 2.025 10 20 JECD CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1843948933 KNYQWLFBDLNYEL-VQHVLOKHSA-N 487.553 2.277 10 20 JECD COc1ccc2[nH]cc(/C=C/C(=O)N3CCCC34CN(C(=O)CN3C(=O)CSC3=S)C4)c2c1 1845251267 JZUWTRKQYITFGS-ZZXKWVIFSA-N 484.603 2.253 10 20 JECD COc1ccc(N2CCCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(OC)cc4)C3=O)CC2)cc1 108427474 RDQDHLQREBEBGN-VWLOTQADSA-N 466.538 2.210 10 20 JECD COCCN(C(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)[C@H]1CCS(=O)(=O)C1 731107992 XXWSOPYPLKPCIX-FQEVSTJZSA-N 495.642 2.126 10 20 JECD COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 914469397 PKKUINSLNAKIAD-UHFFFAOYSA-N 470.551 2.317 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(F)c(NC(C)=O)c3)CC2)cc1 915744394 CISGVMZQQMHUTE-UHFFFAOYSA-N 471.533 2.060 10 20 JECD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 917707548 NABOYXSJSOKUOZ-XMMPIXPASA-N 454.502 2.054 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCC(=O)N(C)Cc3ccccc3)CC2)cc1 918089913 HZYXTLDOWSUMRF-UHFFFAOYSA-N 453.587 2.165 10 20 JECD COCCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 918138042 FEIRRYLEABHCGG-IAGOWNOFSA-N 479.574 2.294 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccnc2c1OCO2 1780024783 GONRFPBWYXTZAS-UZUQRXQVSA-N 489.912 2.316 10 20 JECD O=C(c1ccc2c(c1)OCO2)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005773 ZXHZVDMUKKNUIG-QFIPXVFZSA-N 460.870 2.237 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1782570815 BQCGGOSAKDPUOR-BXZVDQOMSA-N 497.548 2.193 10 20 JECD COc1cccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1C 1785509915 CKIHXMFXBAEJLR-QGVYAHRCSA-N 482.533 2.206 10 20 JECD Cc1cccc(F)c1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510690 YLEABOCCFYQEJA-HLZSCNFSSA-N 456.470 2.408 10 20 JECD Cc1ccsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1785915780 KVIAAAIJEZDYDE-HTERZNMPSA-N 458.536 2.480 10 20 JECD O=C(Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1786508833 JMTRAUYBEIOJFE-IAKIHLPXSA-N 452.507 2.039 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1cnccc1Cl 1788802391 OYBGMCBSEPQBSC-XERREHJYSA-N 481.940 2.121 10 20 JECD C[C@H](Cc1ccco1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1791685841 SCUWKEPWKYQQPR-GTTWDHLJSA-N 470.522 2.268 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2cnnc2)cc1)C1=NN(c2ccccc2)C(=O)C1 1795933189 CBPCKYMWEBKVST-FJPGZJACSA-N 483.532 2.312 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1c2ccccc2n2ccsc12 1798438445 VZJCONWCUZBQTI-USGNIVHTSA-N 478.530 2.477 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)no1 1798818052 FCKSYZIFXLAHGL-MUJYYYPQSA-N 470.576 2.454 10 20 JECD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)nc2nccn12 1801015053 KRFHPTFOKHTTSV-GGPHIMKMSA-N 471.521 2.082 10 20 JECD C[C@H](Cn1cccn1)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1804723583 IGABYWNVIQQONU-HXDUALHLSA-N 491.548 2.450 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3cccnc3nc2O)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999733 MYXNGVLUANSCBT-HRAATJIYSA-N 486.488 2.170 10 20 JECD C[C@H](Cn1cccn1)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808463712 FIAZIDPHOBPCTO-QVNIBDNGSA-N 499.575 2.413 10 20 JECD CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808467247 DNBYCCJNMRJMEG-NZUPQLOKSA-N 476.581 2.254 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)C2=COCC2)[C@H]1c1cccnc1 1814166008 MZMSIYKWRSIINE-RKUWUGLRSA-N 451.479 2.222 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc(F)cc2)[C@@H]1c1cccnc1 1814190417 ZXTPTIBFKBDUCN-OXQOHEQNSA-N 472.567 2.401 10 20 JECD CCC(=O)N[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815103294 OYHCUGUWDOIEEP-HNAYVOBHSA-N 479.541 2.109 10 20 JECD N[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1ccccn1 1817332523 DSHGRNJKKCTBPG-NZQKXSOJSA-N 486.536 2.290 10 20 JECD CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823712767 WXHOYNKVXYWYIW-MFKMUULPSA-N 464.931 2.054 10 20 JECD Cc1ccc(C(=O)C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)cc1 1825840171 VQEDOXZNYYBFQQ-CQSZACIVSA-N 452.492 2.366 10 20 JECD CCc1ncccc1C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240513 WASDVEJBRMYJAD-NSHDSACASA-N 475.621 2.187 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1832489311 REHIHSHCTYCFLC-DWPKNLBQSA-N 456.539 2.329 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876976 QAAFQTBKFAVJTC-DDOBUIPCSA-N 494.610 2.117 10 20 JECD C[Si](C)(C)c1cc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)co1 1844251217 BQQZXGVPMSOYHO-SOFGYWHQSA-N 456.571 2.472 10 20 JECD CCCS(=O)(=O)NC1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 108465276 VQQNXMHEOFMNSG-CALCHBBNSA-N 470.611 2.443 10 20 JECD CCOc1ccccc1N1C[C@H](C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1=O 742910711 NFNQPQCFNVBASA-HXUWFJFHSA-N 466.582 2.385 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 771215665 YOWMCWQOFPVOKJ-UHFFFAOYSA-N 460.552 2.117 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(Cc4ccccn4)CC3)cc2F)C[C@H](C)O1 917023101 WYTKUFALIMQGRM-PMACEKPBSA-N 455.578 2.268 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc([C@H](C)NC(C)=O)s3)CC2)cc1 918744285 ZLRJIYRCRCUMSC-KRWDZBQOSA-N 480.656 2.444 10 20 JECD CC(C)c1ccc(CN2CCN(C(=O)COC(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)cc1 920637037 XEFWYJRCRURBBX-UHFFFAOYSA-N 489.594 2.388 10 20 JECD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 920880473 AVDIFKLOXRQNLN-INIZCTEOSA-N 476.599 2.406 10 20 JECD CNC(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1780986815 IHYJUHHQEYWBRQ-ATIYNZHBSA-N 466.582 2.358 10 20 JECD CCOc1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782001581 BBHJGDQLACQWGR-JOCHJYFZSA-N 461.902 2.302 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 1783407546 MMGPVAXDBYWDQD-DFHRPNOPSA-N 486.572 2.414 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783548194 ZXDDZGXFORBEDL-BBBIZMJLSA-N 497.935 2.105 10 20 JECD CC(=O)Nc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)n1 1785535354 DSTGBFMFLCWIMQ-RFUYNDQBSA-N 488.928 2.012 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)nc1F)c1cc(O)nc(O)c1 1794532156 BFLJVTQETQCNEA-ZSBIGDGJSA-N 465.279 2.355 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)n[nH]1 1796143983 VLHNSXWSRIDHNA-FCGDIQPGSA-N 498.584 2.085 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C1CCCC1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480667 DPFFFJXUQZIHKB-NBNLVUPTSA-N 450.539 2.115 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccnn1-c1ccccc1 1796739433 JUNUZKCMCHDYDB-VPTLXERWSA-N 482.924 2.454 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccc2nc(CO)[nH]c2c1 1796934542 MCAPFSWNFHOULS-GGPHIMKMSA-N 486.532 2.100 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccncc1O 1810667023 NHYCSKIMSWXGSQ-OUWGLZAPSA-N 476.489 2.332 10 20 JECD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728134 KKIPUEYAXKTVOI-CYBMUJFWSA-N 487.469 2.465 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc4cnccc4[nH]3)sc2C1)c1cc(O)nc(O)c1 1819297616 BCDUGFZLJPQWDN-GFCCVEGCSA-N 450.480 2.365 10 20 JECD CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c1F 1823497212 SIATWZURGBNAHN-LBPRGKRZSA-N 479.563 2.001 10 20 JECD CN1CCC(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1823862412 FNFUAJFUIWXYBX-IBGZPJMESA-N 480.700 2.198 10 20 JECD O=C(CCN1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716010 ZOVZLDCALOCVGQ-XMMPIXPASA-N 495.624 2.121 10 20 JECD COC(=O)C1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1827717724 UOXBWJABBBJOIS-NRFANRHFSA-N 480.565 2.352 10 20 JECD CC(C)c1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)no1 1834304471 CVWUSJZLSYLHRD-UHFFFAOYSA-N 457.531 2.103 10 20 JECD O=C(Cc1cccs1)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1837956470 GXTWCOQUMWDXNI-UHFFFAOYSA-N 481.665 2.150 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(F)CCCC=C1F)CCO2 1840952873 ZOJPXURBVROQFG-UUMVYCCLSA-N 494.491 2.019 10 20 JECD CC(C)CN1CCO[C@H](CNC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C1 913640845 TXLXZDKRTTYWJA-GOSISDBHSA-N 492.554 2.188 10 20 JECD COc1cc(C)cc(CN(C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1O 915813095 GXDDZZKBBKBBGW-UHFFFAOYSA-N 498.001 2.454 10 20 JECD COc1cc(CCNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c([N+](=O)[O-])cc1OC 918119019 XPLJNCNBAXDUON-GOSISDBHSA-N 485.541 2.356 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1c[nH]n2c1nc(=O)c1ccccc12 919761435 ASFIKSFAKXWNCV-UHFFFAOYSA-N 498.522 2.362 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782001505 MTEQSVUFZWWSOQ-PEBXRYMYSA-N 460.918 2.090 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007622 ITFFTYGUSWLFKD-JOCHJYFZSA-N 491.884 2.431 10 20 JECD Cc1ccn2c(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)cnc2c1 1782008993 NHPDWOCCGCFWKX-HSZRJFAPSA-N 470.913 2.465 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)C1(c3ccccc3)CC1)CCO2 1785503236 DOWFPRPIWFOTGF-CFSVISAESA-N 464.518 2.378 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cc(F)cc(F)c1)CCO2 1785510064 LUIZXQADFJQXIV-KFVKGYIZSA-N 460.433 2.239 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)cccc3F)C[C@@H]21 1792217615 CZQJFKFDYLCRKZ-KGDAJWNSSA-N 474.460 2.388 10 20 JECD Cn1c(=O)n(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)c2ccccc21 1797748917 NRTULWIGURLNKW-MUJYYYPQSA-N 484.940 2.357 10 20 JECD CSc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1798330488 UMUAIJSFPIRFRT-FVCICTRLSA-N 463.943 2.385 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(-c3ccccn3)nc1)C2)c1cc(O)c(O)c(Cl)c1 1799767515 VEWMROAPYMLMHO-CWPLJXCYSA-N 495.923 2.120 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)C2 1802082470 MVZBCAHSZSWTDN-RKUWGLJLSA-N 464.518 2.210 10 20 JECD COc1cc(C)c(C)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804336113 WMRKUTVVDMXWDI-MUJYYYPQSA-N 461.609 2.424 10 20 JECD COc1ccccc1OCC(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1805171158 OVIXCQXBSACXPQ-UHFFFAOYSA-N 491.635 2.166 10 20 JECD Nc1c(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)sc2nccnc12 1807992874 DQHWBMNWFRWMRD-BFUOFWGJSA-N 491.533 2.108 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cn3ccsc3n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994799 BUWDUTHGARTZMW-IFXJQAMLSA-N 464.507 2.230 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2c[nH]c3ncccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996445 STCVRKDORATLKL-BTYIYWSLSA-N 458.478 2.398 10 20 JECD COc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(O)c1OC 1807999781 NBAFQGCTLZATRR-YCRPNKLZSA-N 494.504 2.244 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc(OCCCO)cc1 1811380043 SOKQDSXMZCMODO-NTKDMRAZSA-N 492.532 2.282 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811798247 ZZRCUPVRAQWOKX-DNVCBOLYSA-N 474.945 2.381 10 20 JECD CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1813621015 ZTFBIFGLIXXOGL-LZNRXBQRSA-N 453.543 2.080 10 20 JECD COc1nn(C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1816314157 NYXGXLWWPNQSOC-DYLHUKMJSA-N 482.497 2.288 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnc(-c3ccccn3)nc1)CC2)c1cc(O)nc(O)c1 1816722245 VGVRHYDRHZQHJB-CQSZACIVSA-N 489.517 2.341 10 20 JECD CC(=O)Nc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1 1816724895 CDVAQBAEBSTGNV-INIZCTEOSA-N 481.534 2.376 10 20 JECD Cc1ccn(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)n1 1818146310 YPKDFNCDFGFRNV-HXUWFJFHSA-N 474.525 2.400 10 20 JECD COc1c(Cl)ccnc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1836168177 CIUKEBPPJGKEPA-UHFFFAOYSA-N 489.960 2.049 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cn4ccsc4n3)CC2)CC1 1838029919 QMRRTEOTLHWAET-UHFFFAOYSA-N 471.539 2.128 10 20 JECD Cc1ccc(C(=O)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1839433023 HSFQVUGLYZBDPN-DEOSSOPVSA-N 488.924 2.013 10 20 JECD CCc1ncsc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433663 OLPWPIIPFIRMMG-OAQYLSRUSA-N 481.958 2.154 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)Cc2ccc(Cl)c(F)c2)C1 1841209901 JSPZXVQVGOMUQL-UHFFFAOYSA-N 455.964 2.085 10 20 JECD O=C(CC[C@H]1CNc2ccccc2C1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056629 IABKZXGFJNAOIZ-MRXNPFEDSA-N 472.636 2.115 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1ccc2sccc2c1=O 1848184221 SUZMVFHFRHETFZ-BPTRJATKSA-N 481.530 2.095 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 23291015 BTNJRVHSWDFCCD-UHFFFAOYSA-N 494.684 2.053 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 24187600 PVNSTWJUTYUIQH-UHFFFAOYSA-N 460.600 2.172 10 20 JECD CCOC(=O)N(C)C1CCN(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)CC1 727032744 XBJZLJBWXKWEIP-UHFFFAOYSA-N 461.607 2.470 10 20 JECD C[C@@H](c1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1)N1CCOCC1 729785248 DIWBZDYDWVYOTL-SFHVURJKSA-N 470.545 2.310 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCN(c4ccc5c(c4)OCCO5)C3=O)CC2)cc1 730518847 QZRYEOICYRUIHK-QHCPKHFHSA-N 494.592 2.148 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CCCNC(=O)c3ccc(F)cc3F)CC2)cc1 742927505 SKVIHHKPJDHSJE-UHFFFAOYSA-N 460.525 2.422 10 20 JECD CNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 913363305 PKQFZTUCFKVGAC-PPLKPFPSSA-N 486.369 2.038 10 20 JECD COCC(=O)NC1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 916076038 JFZHXOUGEDIWFJ-FOWTUZBSSA-N 467.638 2.483 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1cccc(N2CCOC2=O)c1 918442582 KEEQSEVLHRKBJN-UHFFFAOYSA-N 452.511 2.107 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cc4c(cc3Cl)OCCO4)cc2)C1 918463643 MIQJXZMXJXUDMI-HNNXBMFYSA-N 472.929 2.068 10 20 JECD CN(Cc1cccc(C(N)=O)c1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919782026 AKTHWLHBPXORNC-UHFFFAOYSA-N 477.544 2.383 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1cc2sccc2s1 1788301904 BHYVWBNLNLTFML-AVGNSLFASA-N 495.673 2.416 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc(F)c3)C[C@@H]21 1792218769 QGGDCSJFRLLVNH-JSFTZJQYSA-N 470.497 2.178 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn(-c2cccc(F)c2)n1 1794587264 XWUHIZAXZBGKIY-ZLKFZVBQSA-N 493.495 2.488 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOCC2)cc1 1795469815 MNFMLXZNPUAILI-MWZSMPGESA-N 480.609 2.020 10 20 JECD Cn1c(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc2ccccc21 1796479485 SCNFHPIWACUVIH-VXECKQGCSA-N 499.571 2.103 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1cc(=O)c(OCc2ccccc2)c[nH]1 1796598940 NLQMCAZMIPAOEC-REPLKXPHSA-N 490.516 2.326 10 20 JECD CC(C)(C)OC(=O)N1[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C[C@H]2C[C@H]21 1796603220 FAUMJMUYGMOBRD-XNNFIENISA-N 472.542 2.143 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)cc([N+](=O)[O-])c1 1800665910 NRQVFTWJULBPLO-KOTZLPFRSA-N 469.450 2.382 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@](F)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1801890752 ORNGXFSKGCAACZ-JDVWUOGWSA-N 492.548 2.484 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(Cl)cnc1O 1802329772 FESUKLPYBMQMOG-YJYMSZOUSA-N 469.885 2.275 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)CC1 1803906723 HFHZEVFHEXGKFZ-LYNVYRENSA-N 482.537 2.187 10 20 JECD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cn1 1805251582 DJFIQIMEGGNDJN-DPLQINJDSA-N 475.505 2.330 10 20 JECD CC(C)(C)[C@@H](O)C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1805443185 WYRXYFPSGHRADZ-NRFANRHFSA-N 454.571 2.418 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(Cl)nc3n[nH]cc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994965 WPDBNFBDSIAHNI-XCLFUZPHSA-N 493.911 2.446 10 20 JECD Cc1nccn1CCCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807997855 FNSWRYMXQRWBOO-WZONZLPQSA-N 464.526 2.193 10 20 JECD CC(=O)Nc1cc(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)ccn1 1810552266 UVOOMRHRJWMGTC-UHFFFAOYSA-N 453.499 2.005 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CN)[C@H]2c2cccnc2)cc1 1811264125 JTKGKXFJKRTEEW-NHTMILBNSA-N 460.582 2.095 10 20 JECD Cc1nccn1CC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1812409283 OVASJQUECXMXLS-CTWZSZLHSA-N 477.521 2.123 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccncc2O)[C@H]1c1cccnc1 1814164134 RVCINZANYKXDAG-GEROHTISSA-N 476.489 2.332 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cccnc2Cl)[C@H]1c1cccnc1 1814184786 FXPNMXMHJRLBLK-KDOFPFPSSA-N 490.010 2.310 10 20 JECD CCOc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)nn1 1820371160 HXKXEIBZTLWBEJ-OAHLLOKOSA-N 453.459 2.024 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c[nH]2)[nH]n1 1823499680 SSDPREHPVSDKSZ-CYBMUJFWSA-N 450.521 2.043 10 20 JECD Cn1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)c1=O 1823708353 UYQMMNXEGHNYDI-LLVKDONJSA-N 474.926 2.446 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)CN2CCSCC2)CC1 1823720819 KJWDFQXZZOLKFL-QHCPKHFHSA-N 497.665 2.448 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)sc2C1 1825694912 DAVDJPNWQLPCSU-BSUFBWIBSA-N 471.535 2.453 10 20 JECD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716144 BLDBAECLVFPOTH-LJQANCHMSA-N 493.524 2.344 10 20 JECD CSCC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240565 XCQLBZGQBUZREA-SNVBAGLBSA-N 472.683 2.305 10 20 JECD COc1ccnc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)c1OC 1829856424 JDVCREHXXLJQIM-QGZVFWFLSA-N 470.526 2.452 10 20 JECD NC(=O)c1ccccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1830609360 CPRUOEHYIGRCFE-LJQANCHMSA-N 452.511 2.139 10 20 JECD O=C(c1cn2ccccc2n1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901921 GQCHUOPDSKQYHU-GOSISDBHSA-N 485.635 2.428 10 20 JECD Cc1nc(C)c(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)s1 1834157443 BMLJMKKXVFWPFN-UHFFFAOYSA-N 459.572 2.065 10 20 JECD Cc1cc(CCC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)ccn1 1834985607 LNNYMEDQNPZHPB-UHFFFAOYSA-N 467.570 2.014 10 20 JECD CCOCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1834987790 QAVUGFXGSJZEJP-RUZDIDTESA-N 455.555 2.201 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)[C@H]1CCC=CO1 1835720841 VGTMSUUXILDKLK-HSZRJFAPSA-N 479.581 2.044 10 20 JECD Cc1nc(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c(C)s1 1837206495 NYHSSTVMCZKYAY-UHFFFAOYSA-N 474.583 2.421 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)CCN3CCCC3)CC2)CC1 1838824739 IBWSUIAGHYDMSH-GQCTYLIASA-N 487.597 2.301 10 20 JECD O=C(Cc1ccccc1F)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431764 LZDCBKGEWUKGSY-QHCPKHFHSA-N 478.904 2.203 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3ccc(Cl)cc3c1)CCO2 1839515379 JLLNNPIQPSGBJR-DEOSSOPVSA-N 498.923 2.078 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)C2(c3ccc(F)c(F)c3)CC2)C1 1845017784 TZORMGHMTSIQLT-UHFFFAOYSA-N 465.547 2.060 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)c2C)cc1 22002295 PSTIIGDHEWTEFM-IBGZPJMESA-N 485.562 2.294 10 20 JECD COc1ccc(N2CCC(NC(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)CC2)cc1 726561781 RMJVTUKSYJDSCV-UHFFFAOYSA-N 464.613 2.160 10 20 JECD NS(=O)(=O)c1cccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726705568 MSSPNHICLOUBSQ-UHFFFAOYSA-N 454.499 2.404 10 20 JECD O=C(COC(=O)C[C@@H](c1ccccc1)N1CCOC1=O)NCc1ccc(N2CCOCC2)c(F)c1 728378640 HTZKRCOWPDVTOZ-QFIPXVFZSA-N 485.512 2.405 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Cc3c(C)nc4c(c(O)nn4C)c3C)CC2)cc1 729259779 VICPFQKOIBDMJD-UHFFFAOYSA-N 466.586 2.170 10 20 JECD NS(=O)(=O)Cc1ccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 746629896 YTGNKTGDOIGDOJ-UHFFFAOYSA-N 478.482 2.046 10 20 JECD Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1-c1ccc2c(c1)OCCO2 845930663 ASBHOVREEPSMDX-BSPFGIBGSA-N 490.512 2.398 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 914682510 TUJOVETWNBKFON-UHFFFAOYSA-N 477.558 2.492 10 20 JECD Cc1cc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c(C)n1-c1cccc(Br)c1 918065911 ZAJWOUJYPUGJQR-UHFFFAOYSA-N 469.405 2.421 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@H](c3cccc(F)c3)N3CCOCC3)cc2)C1 921199575 MARMEBNNLZOPDE-URXFXBBRSA-N 483.588 2.400 10 20 JECD C[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1)Oc1ccccc1 1777850543 HVMJUUVMTZPURC-FLPMJASOSA-N 469.538 2.478 10 20 JECD CC[C@H](C)[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781119189 CDOFSCKJNUZALM-YQXROLDKSA-N 454.951 2.286 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)n2ccnn2)CCO3)cc1 1781753617 FPHREGOOQZVWOO-NBGIEHNGSA-N 462.554 2.390 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1cccc(Cl)c1 1792834195 MIJDKIUYEBWZEK-QDMKHBRRSA-N 468.000 2.217 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc2occc2c1 1797036348 PRSJNWZJZMDVDZ-NHKMSHSESA-N 472.501 2.429 10 20 JECD C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1)NC(=O)OC(C)(C)C 1799768483 RIGPRORHYJQZOY-NFWAQSGPSA-N 497.976 2.258 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)c2ccco2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808465744 YBKDBNPZRCQORV-NWVWQQAFSA-N 487.516 2.207 10 20 JECD COc1cscc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1808812749 OXFJOIJWGQGAIS-IFXJQAMLSA-N 490.632 2.332 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CN)[C@H]2c2cccnc2)cc1 1811264130 JTKGKXFJKRTEEW-XWGVYQGASA-N 460.582 2.095 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc(C(F)F)no2)[C@@H]1c1cccnc1 1814189043 JYMSYCDLDKSSLF-YVEFUNNKSA-N 495.533 2.187 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816725979 QCDUEBIAPJZZDV-CQSZACIVSA-N 481.534 2.205 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3nc[nH]c13)CC2)c1cc(O)nc(O)c1 1816726229 SWHOHCRSGXVMNC-NSHDSACASA-N 450.480 2.365 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnn3ccccc13)CC2)c1cc(O)nc(O)c1 1816726440 YTUHSCXDVSMVNB-LBPRGKRZSA-N 450.480 2.137 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1)c1cc(O)c(O)c(Cl)c1 1820304119 LSATTXLVLTZNNM-QMMMGPOBSA-N 478.874 2.379 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3ccncc3O)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1820331095 OKPNLRPIMCUADH-ZDUSSCGKSA-N 476.518 2.262 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2nccs2)[nH]n1 1823496703 PLLOLARLBRMOAL-NSHDSACASA-N 450.571 2.032 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCCS2(=O)=O)CC1 1831287073 GNSUMUBHRHREAZ-GFMPNFHCSA-N 492.594 2.014 10 20 JECD Cc1cc(F)cc(CC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834988112 FLHDXQDIBRFKDZ-UHFFFAOYSA-N 470.545 2.368 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccoc34)C2)C1 1840881446 UJOQOFMZFYZBLE-MXDXTTGUSA-N 494.500 2.333 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)C1 1843904834 PDMWWBXWZOTNSD-SFHVURJKSA-N 495.580 2.240 10 20 JECD O=C(c1cc(Br)ccc1F)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847051033 PQVCQEIMEREAKK-UHFFFAOYSA-N 486.388 2.266 10 20 JECD O=C(Cc1ccccc1)NCC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 25021272 GTOSOWMGHDXSEQ-UHFFFAOYSA-N 456.454 2.303 10 20 JECD COc1ccc(N(C)CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC 109101163 JUQUVOZKEGXKFN-UHFFFAOYSA-N 463.556 2.108 10 20 JECD CCCS(=O)(=O)Nc1ccc(C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 728107823 WINSZXNFDXDIII-UHFFFAOYSA-N 475.567 2.353 10 20 JECD O=C1NCCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)[C@@H]1c1ccccc1 749011537 VLYKJLRLFQSYDE-HSZRJFAPSA-N 489.555 2.325 10 20 JECD Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)nn12 756274142 HVSLHUQQIVTRPF-ZDUSSCGKSA-N 455.430 2.392 10 20 JECD Cc1cc(C(=O)NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c(C)n1-c1ccc(Br)cc1 916185645 LOLKYLXRBJEHGK-UHFFFAOYSA-N 479.356 2.413 10 20 JECD O=C(CN1CCOCC1)Nc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 916673468 JTQMIVZTNTUAJU-UHFFFAOYSA-N 485.560 2.379 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC(CN4CCOCC4)CC3)cc2F)C[C@@H](C)O1 917061250 ZMWNDHFBWFKFLG-WOJBJXKFSA-N 462.610 2.100 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 917868500 WWAVGLNGDFANAU-QFIPXVFZSA-N 460.556 2.027 10 20 JECD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC1 918079386 OWPVSYHWIZBHJG-UHFFFAOYSA-N 489.617 2.434 10 20 JECD CCCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 918339007 ALVDKARFZWUHFZ-UHFFFAOYSA-N 465.597 2.003 10 20 JECD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(N3CCOCC3)c2)c1 918372335 YRZFDGXUWGUIFP-UHFFFAOYSA-N 453.948 2.354 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@@H](c3cccs3)N3CCOCC3)CC2)cc1 920251487 AQFWIIUAGVIYNX-BVGULUMVSA-N 484.622 2.151 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1779568210 YZFPCZQPMSRVGC-DMDPLBLGSA-N 496.564 2.226 10 20 JECD Cc1cc(F)cc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785510713 ZAZSDNJPIIURKF-YQVIQHHGSA-N 470.497 2.337 10 20 JECD C[C@H](N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1)C1CC1)c1ccccc1 1787294190 IXAUFEASSFRTHE-DPCCHVQVSA-N 494.592 2.216 10 20 JECD Cc1ncc(/C=C/C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)s1 1787541472 QJYSFDGVJLTPIA-YYCKNUOGSA-N 493.589 2.237 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccn(-c2ccccc2)n1 1798700286 CLYAWNUKMNHTCX-VPTLXERWSA-N 482.924 2.454 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3[nH]ncc13)C2)c1cc(O)c(O)c(Cl)c1 1799768081 JIFIZHWQGOCGRG-DBWKPXFBSA-N 456.886 2.145 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cccnc3n1)C2)c1cc(O)c(O)c(Cl)c1 1799769436 KYCKKQSQPVIMBN-CCWDJLKJSA-N 468.897 2.211 10 20 JECD O=C(O)c1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)ncn1 1804968809 OGYGVCKXPYQQJE-YJYMSZOUSA-N 497.895 2.268 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnc3ccccc3n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995171 DMMPOKLGQVIQTN-MWTRTKDXSA-N 470.489 2.464 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3ccnn3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001739 WWJZRIARIMPKGP-KSFYIVLOSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCO2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808467443 GWASKFZCHJKLEJ-QTGUNEKASA-N 461.522 2.059 10 20 JECD Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)o1 1814184999 KCBDTXZACMYTOC-HNAYVOBHSA-N 458.565 2.163 10 20 JECD CS(=O)(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821295351 PNKAOEKLBMGIMA-CQSZACIVSA-N 470.935 2.215 10 20 JECD Cc1nc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)ccc1F 1823495916 FLLJJXJSSVAZRP-HNNXBMFYSA-N 476.559 2.418 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2nccs2)[nH]n1 1823496700 PLLOLARLBRMOAL-LLVKDONJSA-N 450.571 2.032 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnncc1C(=O)O)CC2)c1cc(O)c(O)c(Cl)c1 1823712779 WYYYSFPRQUUXGM-VIFPVBQESA-N 489.897 2.236 10 20 JECD CS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)c1 1823934779 WGBWSGDYUOQYBY-HXUWFJFHSA-N 487.578 2.443 10 20 JECD O=C(c1ccc(O)nn1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714483 BOHVUONHNYARAW-NRFANRHFSA-N 476.537 2.208 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)CNc1ccc(F)cc1)CC2 1828242557 MREHPVVTWKNGOF-ZDUSSCGKSA-N 493.611 2.167 10 20 JECD CCc1ncsc1C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828247584 ZNHLKPOAOJQXCV-VIFPVBQESA-N 481.650 2.248 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNc3ccccc31)CCO2 1835723349 JDIFKJPIUPKSAU-OSPHWJPCSA-N 487.940 2.031 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)on1 1837485111 ZTDBQMLBPBKHTN-HWKANZROSA-N 471.510 2.425 10 20 JECD O=C(c1cn2ccc(Br)cc2n1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249572 ZZKZVJDUTGXRIN-UHFFFAOYSA-N 472.299 2.034 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 1844994787 IPPYKOPMKPMVOZ-IBGZPJMESA-N 486.663 2.105 10 20 JECD C[C@@]1(c2ccc(CNC(=O)NCc3ccc(N4CCSCC4)cc3)cc2)NC(=O)NC1=O 726233708 FAKXYTAYNSCZGW-QHCPKHFHSA-N 453.568 2.294 10 20 JECD O=C(Cc1ccc(O)cc1)NCC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 726819117 FHSPBKXCCMVLBJ-UHFFFAOYSA-N 472.453 2.008 10 20 JECD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)n2)c[nH]1 727247578 DEDPEDSTYCOAKL-UHFFFAOYSA-N 455.539 2.438 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)COc4ccc(C)cc4)CC3)CC2)cc1 748826088 JLSAUVDUGDDGTP-UHFFFAOYSA-N 495.624 2.058 10 20 JECD COC(=O)CNC(=O)Cc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 916682103 RPRKHUYNBGOPRS-UHFFFAOYSA-N 468.554 2.049 10 20 JECD COc1cccc(/C=C(/C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n2nnnc2C)c1 917834010 GGMFERDRJBITHZ-SPMKTWQFSA-N 475.553 2.006 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)cc2F)C[C@@H](C)O1 918286885 LRPHKVSISMIGHZ-HDICACEKSA-N 498.555 2.167 10 20 JECD O=C1CN(c2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2Cl)CCN1 918296113 WGISKKJVWYXRQH-SFHVURJKSA-N 486.956 2.128 10 20 JECD CSc1cccc(N2C[C@@H](C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC2=O)c1 918336338 XDKUWIOIXFLRMZ-SFHVURJKSA-N 473.620 2.313 10 20 JECD O=C(COC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)NCc1ccc(N2CCOCC2)c(F)c1 918935251 PHISFWFSSYXOPC-KRWDZBQOSA-N 459.449 2.087 10 20 JECD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c2ccccc2O1 920923503 RFPOTMYQNWDHHV-JPYJTQIMSA-N 480.565 2.021 10 20 JECD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)C1(O)CCC1 1781119947 IKBYMYPAZRODJH-GKIWIXTESA-N 466.962 2.430 10 20 JECD Cc1ccccc1CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783245833 HQPJIRLCJQIRQD-NTKDMRAZSA-N 489.663 2.302 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccsc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539185 YPUWAVOPJDVQTK-CUWPLCDZSA-N 466.563 2.063 10 20 JECD O=C(CC(F)(F)C(=O)O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1788571870 JUTRPKSDOVXAGK-UHFFFAOYSA-N 471.507 2.091 10 20 JECD Cc1cnc2c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)c(O)c(Cl)c5)[C@H]4C3)cnn2c1 1790245141 UAAPVHYKBXBVKB-AXHNFQJDSA-N 485.928 2.009 10 20 JECD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1791237165 CUQVEYRWYXRJRV-ZZKADIETSA-N 492.956 2.100 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)sc1Cl)C2)c1cc(O)nc(O)c1 1796138506 BTWCSAQRVDOWCY-KEODLESXSA-N 458.323 2.378 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCCCC3)cc1)C2)c1cc(O)nc(O)c1 1796140337 KYVZIQWJPDEMJO-BBIADKPPSA-N 466.538 2.000 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)[C@H](F)C1 1796600961 LOLXJMJHLLNJQT-CWQOZTLDSA-N 492.548 2.340 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOC2=O)cc1 1797170364 NSMCZKPGERJNAW-RUMRUAAYSA-N 480.565 2.140 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnc3ccccc13)C2)c1cc(O)c(O)c(Cl)c1 1799768016 AGZRHSVWKZAIJG-VTEUUUEMSA-N 468.897 2.211 10 20 JECD C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1801943967 KGCBEBPXXGSTNU-DQEVTTJGSA-N 468.510 2.060 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc(Cl)nc1 1802291725 FLDKRINGRNRNPD-LIRRHRJNSA-N 490.010 2.310 10 20 JECD C[C@H](Cn1ccnc1)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808470906 ZVHXCQQLGNTYLE-DZRGJMJISA-N 499.575 2.413 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cc2cccnc2[nH]1 1809904531 VUDPJMBKRXNOHN-JXFKEZNVSA-N 494.602 2.138 10 20 JECD O=C1Nc2ccccc2/C1=C/C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810547156 PKDXEFSRBJHRKS-JXAWBTAJSA-N 462.506 2.373 10 20 JECD Cc1noc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)n1 1811803333 HZEWWDSRDUOGQO-XOBRGWDASA-N 471.901 2.400 10 20 JECD O=C(NC[C@H]1CCN(C(=O)COc2cccnn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811811088 ZRQSLKFMWZFNFW-VFNWGFHPSA-N 483.912 2.335 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)C1CCC2(CC1)OCCO2 1812482801 AEHZUNAMSIGBSK-PGRDOPGGSA-N 482.537 2.141 10 20 JECD O=C(COc1ccccc1F)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1812782162 KXEBVMOEXIJKDB-HJPURHCSSA-N 466.469 2.426 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)C2CCOCC2)[C@H]1c1cccnc1 1814162539 LXBRJCQWOXPJIQ-KDYWJBCZSA-N 467.522 2.344 10 20 JECD Cn1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)c1=O 1815415822 VUZZHDZGBIKQBJ-FQEVSTJZSA-N 487.520 2.207 10 20 JECD C[C@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)NC(=O)OC(C)(C)C 1817173307 DLOALWMOYPYAJY-DGCLKSJQSA-N 491.570 2.478 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCC3)CC2)C1=NN(c2ccccc2)C(=O)C1 1817362584 ZZFBUHKTMPTSMO-CQSZACIVSA-N 489.561 2.305 10 20 JECD Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1817608356 GJPXUUPDBMBFEE-CGAJTASUSA-N 473.536 2.359 10 20 JECD NC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)c1ccccc1 1823497146 AIHCNKKITUTLCM-RDJZCZTQSA-N 486.623 2.005 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cnnc(Cl)c2)CC1 1825347101 VMIVKTAWUAJQAW-HNNXBMFYSA-N 482.031 2.224 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)COc1cccnc1)CC2 1828194932 DJRHHJMWYHTEHT-YOIVXCQUSA-N 482.518 2.359 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cccs1)CC2 1828240697 ZDWIBVDGFYTNBP-SECBINFHSA-N 452.608 2.291 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)C1Cc3ccccc3C1)CC2 1828248843 AVYLFGCBKBMOSY-HNNXBMFYSA-N 486.644 2.330 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)CCc1ccoc1)CC2 1828250612 XGNUGGCIRYGAKM-GFCCVEGCSA-N 464.594 2.141 10 20 JECD CN(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cn1 1829428654 AJUADTRYRNEWPF-GOSISDBHSA-N 489.667 2.241 10 20 JECD CC(=O)C[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1831805418 VTSFYVHGYRFUSY-PBHICJAKSA-N 453.630 2.082 10 20 JECD Cc1onc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1C 1832896437 HZCNZYNTIKXDPW-INIZCTEOSA-N 464.613 2.385 10 20 JECD O=C([C@@H](O)c1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898655 USHVDFCWCWOPCU-RXVVDRJESA-N 475.636 2.200 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)cc1 1839348693 GQSKJHCUUFMZPF-MHZLTWQESA-N 489.576 2.197 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)CN1CCCC1)C2 1843330930 UNXSEKRKSHUYRD-OAQYLSRUSA-N 485.629 2.004 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@H]1F)C2 1844251518 DQJKNOFPUQYPMK-BBWFWOEESA-N 477.533 2.095 10 20 JECD Cc1onc(-c2ccncn2)c1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1844669021 DBSVMYCHSPOXTB-UHFFFAOYSA-N 485.504 2.050 10 20 JECD Cc1cc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)nn1C(F)F 1844784234 AAXSWDILXJPTHZ-UHFFFAOYSA-N 456.453 2.197 10 20 JECD CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1 725819394 UHUCBBJBIWXLHE-UHFFFAOYSA-N 465.519 2.414 10 20 JECD COc1ccc(N2CCC(NC(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 726562779 PDLMTPQGUUMRDL-UHFFFAOYSA-N 460.552 2.415 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1C 728263385 YBQCAALJYWXBKK-UHFFFAOYSA-N 457.486 2.237 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)oc(=O)n4C)cc2F)C[C@@H](C)O1 728402050 HZGYGCOHLKKUCN-OKILXGFUSA-N 456.474 2.139 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCNC(=O)[C@H]3c3ccccc3)CC2)cc1 749007681 IANDJPVVJCYWGZ-HSZRJFAPSA-N 451.571 2.090 10 20 JECD CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 917834911 UGTGZCQIKQOEGG-XLIONFOSSA-N 472.611 2.395 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCCS(=O)(=O)Cc3ccccc3)cc2)C1 918118357 ZMSMGUVXBJISJC-NRFANRHFSA-N 472.611 2.193 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCCCN3CCN(c4ncccn4)CC3)cc2F)C[C@@H](C)O1 918203020 UHBCYFVKNCVHDX-WOJBJXKFSA-N 485.608 2.241 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccccc3NS(C)(=O)=O)cc2F)C[C@@H](C)O1 918951576 MZNVBNMXWWCDRR-IYBDPMFKSA-N 493.557 2.284 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)cc2F)C[C@@H](C)O1 918976645 LBBLNFJIKSOMLC-CRKFXISPSA-N 479.574 2.053 10 20 JECD Cc1ccc(-n2nnc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2C)cc1 919607318 ZGRRYWISHRCKHH-UHFFFAOYSA-N 467.501 2.333 10 20 JECD COCCNC(=O)CSc1ccccc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 919877826 DARIOVOQJUWTEO-UHFFFAOYSA-N 477.608 2.028 10 20 JECD C[C@H](CNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)Cn1cccn1 920450177 RBQMSCGUHXFICW-CQSZACIVSA-N 459.484 2.364 10 20 JECD NC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 920719386 BANVEUBESKXSOI-UHFFFAOYSA-N 458.426 2.122 10 20 JECD C[C@@H](NC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(N2CCOCC2)cc1 920872947 ZIGUZEXVXRINRL-HXUWFJFHSA-N 465.598 2.471 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccc(N2CCOCC2)cc1 920924486 CINWHJUQRZSFOV-VGSWGCGISA-N 466.538 2.457 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)cc1 1782960852 UPFOLTHPXQTTSI-RCZVLFRGSA-N 485.606 2.115 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1cc(Cl)sc1Cl)CCO2 1785539838 DRUICWOAXFUDML-KRWDZBQOSA-N 494.447 2.359 10 20 JECD CCc1ncsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1789404894 UIOFFRLIVIMMHW-KNBMTAEXSA-N 481.578 2.092 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(c4ccc(F)c(F)c4)CC3)[C@H]2C1 1789703701 JQTDLJRISFYKEO-AXHNFQJDSA-N 473.476 2.096 10 20 JECD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc(O)cc1 1789891433 HFEDKOKDJILNHO-WJCJOHOCSA-N 482.533 2.306 10 20 JECD Cc1cc(C)n(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)n1 1791508499 KNNZOQFHTHKLRV-KNBMTAEXSA-N 476.961 2.248 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cccc2nscc12 1800033242 QNRZUSCHKWUYFF-RSQQPWMTSA-N 489.557 2.292 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1csc(Br)n1 1804333414 JYGJFAUCBIWGRT-ILWJIGKKSA-N 489.442 2.018 10 20 JECD Cc1cnc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cn1 1805551629 CJYDOXSOEHMQLX-NTKDMRAZSA-N 483.532 2.293 10 20 JECD CN(CC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)C(=O)OC(C)(C)C 1806723210 HYEKOPRCYPCKSO-KKSFZXQISA-N 485.541 2.074 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc(-n2cnnc2)cc1 1806993329 PNPSFVWQRSLDKO-MBSDFSHPSA-N 485.504 2.102 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnoc2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468115 ONPUUDYJNBLPDU-HTAPYJJXSA-N 458.478 2.182 10 20 JECD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1808911512 UTGQMVDVJALSSG-KSSFIOAISA-N 475.621 2.026 10 20 JECD Cc1ccc(C(=O)NCC(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)cc1 1810549953 LUIRJDWBDOGDPO-UHFFFAOYSA-N 466.538 2.076 10 20 JECD CC(=O)NCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815342120 PXUZRQJAWOZLBB-HXUWFJFHSA-N 493.568 2.357 10 20 JECD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)on1 1817364127 NVTBAGVDDXHUHX-CYBMUJFWSA-N 464.507 2.458 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cc2n(n1)CCCC2 1819093537 QOIWMMMWTGURGQ-KRWDZBQOSA-N 451.487 2.368 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@]2(F)Cl)[nH]n1 1823499440 GXOBKGKJEPEBFN-NSTVUXKKSA-N 459.956 2.187 10 20 JECD CC1(C)CC(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)C1 1828250642 YKJBXFHVHUDVRT-LLVKDONJSA-N 452.627 2.352 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(F)(F)C1)CCO2 1829655566 HXQSFCNNKXPERX-RBZFPXEDSA-N 474.888 2.257 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc(Cl)cn3)CC2)CC1 1838029945 TVYRQRQNQMJGMB-UHFFFAOYSA-N 460.918 2.467 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cccnc2OCC2CC2)C1 1842269991 RFODRBXBIJBJJS-UHFFFAOYSA-N 473.533 2.480 10 20 JECD O=C(Cc1cc(F)ccc1Br)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843248878 DGSAMYGUHKGIEJ-UHFFFAOYSA-N 464.291 2.454 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1cccnn1)C2 1843331291 FXHQWWJOWYVZSX-HXUWFJFHSA-N 480.569 2.012 10 20 JECD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1846561202 AXCTYQDCLUJKEO-XMMPIXPASA-N 488.592 2.382 10 20 JECD COc1cc(F)ccc1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1846763936 FVEUIWWGYFRLST-UHFFFAOYSA-N 450.470 2.444 10 20 JECD COc1cccc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1F 1846929461 DWJLNNICLZLETP-UHFFFAOYSA-N 450.470 2.444 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC12CN(C(=O)C13CC(c4ccccc4)(C1)C3)C2 1847057078 GMKFYSZNTKJTFA-UHFFFAOYSA-N 455.605 2.172 10 20 JECD O=C(COC(=O)CCn1nnc2ccccc2c1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 753841722 CYOIOECMLQSNRJ-UHFFFAOYSA-N 482.452 2.139 10 20 JECD CNC(=O)c1cc(S(=O)(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cn1C 914688955 QFKFJDRUXJZQNK-CYBMUJFWSA-N 480.612 2.035 10 20 JECD COc1cccc([C@H](CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)N(C)C)c1 918118205 PEEQQQZZWFPWES-OFNKIYASSA-N 453.587 2.499 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 918303588 ATOOTGHJHCPRIE-UHFFFAOYSA-N 495.001 2.024 10 20 JECD CC(C)NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 918442510 NLSZPUADJXTBIH-UHFFFAOYSA-N 452.555 2.288 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 918617853 MMLHMLHGSCVBRO-UHFFFAOYSA-N 479.599 2.330 10 20 JECD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(N3CCOCC3)cc2)c(OC)c1 919766045 XARUYDOBBHBHTR-JOCHJYFZSA-N 453.539 2.461 10 20 JECD CN1CCN(c2ccc(CNCc3ccccc3CS(=O)(=O)N3CCOCC3)cc2F)CC1 1116013838 UFJWHAGEFSGCGI-UHFFFAOYSA-N 476.618 2.029 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3cc4cc(F)ccc4s3)C2)C1 1778537011 FYGPSOSUWIXKGG-NRFANRHFSA-N 493.607 2.344 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1782211160 BVEDZINWRAUWGW-JOCHJYFZSA-N 456.886 2.385 10 20 JECD O=C(Cc1cc(F)ccc1F)N1CC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1785358616 YEHXOPZRJOJWMQ-VWLOTQADSA-N 482.487 2.130 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccccc3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243451 NTBFEMXKUPZRFD-JKTDJZPLSA-N 460.914 2.078 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccnc(Cl)c1 1794755539 ATODIWOFGGVZHP-FVCICTRLSA-N 452.294 2.317 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCCCC1)C1=NN(c2ccccc2)C(=O)C1 1795705139 KVXHUFJDIMATPH-NUZGMZIFSA-N 451.571 2.294 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCOC1)C2 1796749484 ZZKHNEMQNFKNPK-TXZRGUEPSA-N 486.613 2.379 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccn2cn1)C1=NN(c2ccccc2)C(=O)C1 1797655132 YIZWIHDYJXQZEF-PDFPEKILSA-N 456.506 2.379 10 20 JECD CC(C)(C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1803081313 JHVJHASJOAZVSZ-SKNXOZNESA-N 469.538 2.325 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)[C@@H]1CCc2ccoc2C1 1803284789 LPQMWEHEFNCCSK-NRJQMVOHSA-N 498.630 2.346 10 20 JECD O=C(Cc1ncccn1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1804695561 WZEFCPXNSIWLGG-BTYIYWSLSA-N 467.913 2.499 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cnc(-c2ccccn2)nc1 1804796267 JHJDDFGECWPOQQ-SBUREZEXSA-N 497.515 2.373 10 20 JECD CCOC(=O)/C=C/C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1806300387 RHOPJHSKBNDCHO-YMYGLEIASA-N 481.505 2.037 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2c(F)cncc2F)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994331 GXLCSAZVEXJWJC-RNODOKPDSA-N 455.421 2.194 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2noc3c2CCCC3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994599 VSXCVUVRGUZHPD-NYHFZMIOSA-N 463.494 2.388 10 20 JECD Cc1nccc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n1 1808467698 JLTDGCUWYRKGRF-CYFREDJKSA-N 483.532 2.293 10 20 JECD CN1CCN(CCC(=O)N2CCCC3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)C2)CC1 1809555058 CICHFIKQAAAYRK-UHFFFAOYSA-N 479.021 2.234 10 20 JECD CC(=O)Nc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1809595151 GAYYTTJOATWZPG-UQBPGWFLSA-N 489.532 2.409 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cn2ccccc2=O)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811802792 CGOKBRVPETYAIJ-KSFYIVLOSA-N 482.924 2.328 10 20 JECD CC(=O)Nc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1813894581 DGINEDTYYSKDRA-WZONZLPQSA-N 475.505 2.480 10 20 JECD COC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162338 RAJOZCAPZQKAEY-HOUBKHITSA-N 455.511 2.343 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc[nH]c2nccc1-2 1817893160 KQLWNVWODXWCCP-HNNXBMFYSA-N 483.579 2.404 10 20 JECD Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)cc1O 1823208455 JCYQDOZITWVIGC-GFCCVEGCSA-N 476.605 2.243 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc3c(c2)CCO3)[nH]n1 1823499414 FJAPKEFFIGKJPV-KRWDZBQOSA-N 499.618 2.440 10 20 JECD O=C(COc1ccccc1F)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1825458188 ONCMKSYDLZYREE-GFCCVEGCSA-N 458.471 2.393 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)CCn2cncn2)CC1 1832118743 VAUWUJBUCWJKKQ-JOCHJYFZSA-N 477.569 2.081 10 20 JECD Cc1ncoc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898212 GKDZWUHIKPJIKZ-OAHLLOKOSA-N 450.586 2.077 10 20 JECD O=C(c1ccn2ccnc2c1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901628 GNRCIEIPRWHBRV-GOSISDBHSA-N 485.635 2.428 10 20 JECD O=C(c1ccc2nonc2c1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901945 GVSKBJXVUVVDRB-GOSISDBHSA-N 487.607 2.316 10 20 JECD O=C(c1cnccc1F)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902722 ROOIYMCKJHPGEI-KRWDZBQOSA-N 464.588 2.314 10 20 JECD CCSc1ncccc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833028606 GMVBHOMPJNLZFI-UHFFFAOYSA-N 485.610 2.499 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccnc(C(F)F)c1 1833921379 LDPSDIHUMVULTI-UHFFFAOYSA-N 475.496 2.324 10 20 JECD CN(C)c1cccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834988953 XYPQMLCBSMORPD-UHFFFAOYSA-N 467.570 2.058 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(Cl)c3)CC2)CC1 1837310253 RUXSJBQYQJGBLK-UHFFFAOYSA-N 476.917 2.173 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnnc4)C3)C2)cc1 1839348821 OIZGRJLVULHPNK-SANMLTNESA-N 475.549 2.268 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)n2cncn2)CCO3)cc1 1840420429 KNULCMQVCQURBY-QFQXNSOFSA-N 492.580 2.017 10 20 JECD O=C(CCc1ccoc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840516174 BBIKXAWJOQRNMG-QFIPXVFZSA-N 464.902 2.047 10 20 JECD CC(C)C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251672 PWJXGNPGOWDDSO-KRWDZBQOSA-N 461.559 2.393 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 18973134 IYPMVYAMSPCPGG-UHFFFAOYSA-N 491.585 2.494 10 20 JECD C[C@@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 105205277 PQXWFFGOHOVKCU-ZIAGYGMSSA-N 453.472 2.281 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2CCCC2)c1 729064089 OSQBCPNPXZDDBL-AWEZNQCLSA-N 471.510 2.470 10 20 JECD CC(=O)Nc1cccc(OCCNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 729233886 YYLRBUDBPJPSEP-IBGZPJMESA-N 453.543 2.225 10 20 JECD COCCN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1 731197631 XVFNYTFHLHPKIH-IZCBMXNHSA-N 488.678 2.392 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3cnn(Cc4ccccc4)c3)CC2)cc1 746699294 OOOTYAGUPMRZEQ-UHFFFAOYSA-N 469.611 2.431 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(CS(=O)(=O)c2ccccc2)o1 916676830 VKRGFKLZGJZDGY-UHFFFAOYSA-N 488.587 2.418 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3cc(C(=O)O)ccc3Br)cc2)C1 917930285 PNKDXKSDBRMQBM-OAHLLOKOSA-N 496.383 2.328 10 20 JECD CCS(=O)(=O)NC1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 918219218 HEKTWBSOKCQVCY-HOTGVXAUSA-N 456.584 2.053 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)C1 918464420 VNDQQOHJJFITOJ-AWEZNQCLSA-N 491.451 2.153 10 20 JECD CCc1c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1-c1ccccn1 919113345 AZUUMVLUSZILFO-UHFFFAOYSA-N 467.501 2.279 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 919816726 JZZHSZHFXVWVNJ-GFCCVEGCSA-N 452.920 2.303 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3ccc(N4CCCC4=O)cc3)CC2)cc1 920253921 FCFACHZSQZINFG-OUKQBFOZSA-N 462.550 2.343 10 20 JECD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1)c1ccc(O)cc1 1777852060 ADLCITLLLNUXQW-OFJJYEOVSA-N 455.511 2.130 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cnc2ncccn12 1778652983 WCLDLTTVZRONLJ-WZONZLPQSA-N 485.928 2.235 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1782005738 YGISOIQAOKOQNT-JOCHJYFZSA-N 456.886 2.156 10 20 JECD CN(C)c1ccc(CCC(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1 1784245503 LBAHXZDPZVDFBI-LDOPOZNOSA-N 495.576 2.345 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 1785510073 LWZBJZGDGRZSHF-GTYDBAGRSA-N 487.440 2.008 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@H]1CC(c2ccccc2)=NN1 1790544495 BYXXWZSMLCWXGP-JGGXIQRISA-N 498.967 2.111 10 20 JECD CC1=NN(c2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(O)nc(O)c3)cc2)C(=O)C1 1796604816 PDYABKRVIINKBM-GGPHIMKMSA-N 463.494 2.171 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1cnco1 1803857908 BBJPZVJDJLAYHE-VGSWGCGISA-N 458.478 2.182 10 20 JECD CCn1nccc1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1805920353 WNARHWFLLDEZSH-VSEMJTJDSA-N 477.521 2.448 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)N1CSCSC1 1807996138 YUHSPFGNIIULMS-IIMJZQEZSA-N 489.623 2.250 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1nccc2[nH]ccc12 1808096294 WYEKMBKOGAKCST-VFNWGFHPSA-N 494.602 2.138 10 20 JECD Cc1c(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)nc2ccccn12 1809083611 OLDDTJSBBLVKGM-UZUQRXQVSA-N 472.505 2.477 10 20 JECD O=C(CS[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810348444 NUWMZEBHQWRYLD-HVETUWLQSA-N 472.567 2.467 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)n1ccnn1 1811809473 KSKRSQNDYTVCKU-WTANOLMUSA-N 470.917 2.319 10 20 JECD CC(C)(C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccn1 1813282995 GWNYQJRVYWALGA-LAUBAEHRSA-N 497.646 2.321 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)Cc2ccccc2)[C@@H]1c1cccnc1 1814185596 CXBVECXXOGKRIP-PGRDOPGGSA-N 468.604 2.190 10 20 JECD O=C(CNc1ccc(F)cc1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722467 HZWSHKMUKAPPPK-CQSZACIVSA-N 457.487 2.426 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728387 NWOYPPXQGXGRSI-SWLSCSKDSA-N 453.524 2.449 10 20 JECD O=C(/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1)NC1CC1 1818146874 JWAOYLRBXJTERN-ZCPJJFRWSA-N 489.536 2.030 10 20 JECD CC[S@@](=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1819263051 HSLGZSMCWJVXQF-GPWHBBDMSA-N 484.582 2.353 10 20 JECD COc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)c(F)c1 1823278984 JZHOGGVLOQYMDO-SNVBAGLBSA-N 494.595 2.377 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]cc3c2CCC3)[nH]n1 1823500128 QKTXIGOHUIHOAT-HNNXBMFYSA-N 472.596 2.393 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)cn2)CC1 1827124422 IQNJTNHTZJCZOW-SFHVURJKSA-N 478.615 2.243 10 20 JECD O=C(OCCO)c1ccccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427780 IBWQDKZXKCDGQE-OAQYLSRUSA-N 497.548 2.189 10 20 JECD CN1N=C(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CCC1=O 1827714509 CZSJWJRNMLKWPJ-JOCHJYFZSA-N 492.580 2.007 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CC(F)(C2)C3)CC1 1832896704 NKVLHMTXDSNNIF-VUZGARFFSA-N 453.605 2.359 10 20 JECD CC(C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1833676337 OGVNXZSIBWUVLU-FNORWQNLSA-N 475.586 2.203 10 20 JECD COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1834857754 SDMPFPRTRRVMIC-AREMUKBSSA-N 483.565 2.117 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc(Cl)nc3)CC2)CC1)c1cc(O)nc(O)c1 1834985552 UPMPOIHUKCOKIY-UHFFFAOYSA-N 459.934 2.040 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)c3cncc(O)c3)CC2)CC1 1838111649 IGLJISKKXIJCRP-UHFFFAOYSA-N 491.548 2.192 10 20 JECD CO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839349263 MCODMLCCDKROMS-NLFFAJNJSA-N 455.555 2.199 10 20 JECD O=C(c1ccc2cccnc2n1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441734 NZDBQMMDPAALBW-UHFFFAOYSA-N 454.490 2.240 10 20 JECD Cc1cc(C(=O)CN2C(=O)N[C@H](CCS(C)(=O)=O)C2=O)c(C)n1-c1cccc(Br)c1 16573929 ZDWDLIZBMJJJJD-QGZVFWFLSA-N 496.383 2.394 10 20 JECD COCCNS(=O)(=O)c1ccc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 726609472 AMSVMUQHZQQRPE-UHFFFAOYSA-N 476.599 2.088 10 20 JECD COc1ccnc(N2CCN(CC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)CC2)c1 729484130 PRUPJPKWZIISSC-RTBURBONSA-N 471.577 2.281 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCc3ccc(C(=O)N(C)C)cc3)CC2)cc1 916197136 VAXLEOSYEBMMMH-UHFFFAOYSA-N 453.587 2.409 10 20 JECD COc1ccc(-c2nnc(SCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)n2N)cc1 917176130 YQCVHPISRKHQSM-UHFFFAOYSA-N 472.546 2.052 10 20 JECD COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 918035800 HGDQBZUNYATILX-UHFFFAOYSA-N 454.527 2.271 10 20 JECD CN(C)C(=O)COc1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 918037004 FEXLNWDOGBARDD-GOSISDBHSA-N 453.543 2.177 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 918340060 KFQFEMCPRLCWCK-HXUWFJFHSA-N 473.570 2.229 10 20 JECD CCCN1CC[C@H](CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919775963 CLUZBYHRQCZITP-HXUWFJFHSA-N 455.582 2.473 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@@H]1CCN2CCCC[C@H]12 919782616 BIESXLJXKSKFIT-IFMALSPDSA-N 453.566 2.368 10 20 JECD COCCOCCNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 920298614 GCGBBYFCQQVZAC-UVTDQMKNSA-N 459.387 2.430 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1nc2ccccn2n1 1777816520 YQRVMYAUIMIISO-UZUQRXQVSA-N 485.928 2.235 10 20 JECD Cc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)o1 1782649422 XCEHNEFPVJQAGK-SZMMQSAJSA-N 470.522 2.475 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccccn1)C2 1783219996 MKTZHVIEGJUKBT-BZTSCEAKSA-N 481.549 2.358 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)CCc3ccc(F)cc3)C2)C1 1783599903 RMJPJKRLGNXJGG-WHTWLKBESA-N 470.497 2.418 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3cc(F)cc(F)c3F)C2)C1 1785087309 NSHFZJWGKZEAMF-DEOSSOPVSA-N 486.450 2.340 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(Cl)c(Cl)c3)C[C@@H]21)c1cc(O)nc(O)c1 1787291422 DTLJNCLUPMHYJH-QITLCBANSA-N 496.347 2.472 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c(C4CC4)c3F)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242027 HFGWDJRONPIONO-RBOXIYTFSA-N 478.908 2.398 10 20 JECD CC(C)(C)OC(=O)N(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2)C1CC1 1792710100 MEIKXAYZXQSNJA-ACHSLPGTSA-N 460.531 2.144 10 20 JECD COc1ncccc1CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1794368451 WWPLKZCXZPYUBK-BZBLDOMBSA-N 467.522 2.491 10 20 JECD Cn1ccc2cccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3=NN(c4ccccc4)C(=O)C3)c21 1796479589 KEUYRCFKCIJVSF-NHKMSHSESA-N 485.544 2.174 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1c[nH]c2nccc-2c1Cl 1804333622 MQYSNLZIPWICIL-ZSBIGDGJSA-N 477.999 2.280 10 20 JECD O=C(Cn1cc(Cl)cn1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1807409955 ANBNTUSHNPAVPL-TXXGBIHESA-N 497.939 2.468 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3O2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996263 PWCVFBDQWSLJRH-WGGBDISSSA-N 460.490 2.211 10 20 JECD O=C1CSc2ncc(C(=O)N3CCC4(CCCN(C(=O)c5cc(O)nc(O)c5)C4)CC3)cc2N1 1810554550 NKFMSHMVJNWAKQ-UHFFFAOYSA-N 483.550 2.091 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccncc1O 1810667021 NHYCSKIMSWXGSQ-GEROHTISSA-N 476.489 2.332 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817843752 XYVBCODVUVAQCP-WFASDCNBSA-N 474.518 2.435 10 20 JECD N[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1)c1ccccn1 1818146730 ZPKNJSQHDSWDJU-NZQKXSOJSA-N 486.536 2.290 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)c3cnn4c3OCCC4)sc2C1 1824002379 YLVIRWANJFUCID-MXPWBENCSA-N 497.533 2.178 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCOC2)CC1 1832376857 MQXIKDIDZPSTNP-KNQAVFIVSA-N 452.555 2.436 10 20 JECD O=C(c1ccn(C(F)F)n1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902205 ZPBRZHHDQNJPBU-OAHLLOKOSA-N 485.582 2.372 10 20 JECD COc1nccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1F 1832902495 NYGIKASCOWSUOB-MRXNPFEDSA-N 494.614 2.323 10 20 JECD CCc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1833517635 FSHFHSYXGPWPMP-QHCPKHFHSA-N 475.929 2.092 10 20 JECD O=C(COc1ccccc1)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1834472196 VWFOWXBAQPEHOU-VQHVLOKHSA-N 495.576 2.467 10 20 JECD CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1834753432 KGYPNOUFDYLYJY-YVEBZSINSA-N 496.560 2.467 10 20 JECD COc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1C 1834985506 HSMWZLOIYCSKHN-UHFFFAOYSA-N 482.581 2.238 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3scnc3C3CC3)CC2)CC1)c1cc(O)nc(O)c1 1834988103 OMKPYCAZTLRKEP-UHFFFAOYSA-N 471.583 2.326 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccncc3Cl)CC2)CC1)c1cc(O)nc(O)c1 1834988710 HMHSGTIJCUGNQB-UHFFFAOYSA-N 459.934 2.040 10 20 JECD CO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1840210238 HKFZKCUXSXJSRA-CPJSRVTESA-N 455.555 2.199 10 20 JECD CC(C)NCCC(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331283 FGQCMTCVGKOJDP-OAQYLSRUSA-N 487.645 2.296 10 20 JECD O=C(c1cnnc2ccccc12)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441545 HDXLFSOVVYGZFD-UHFFFAOYSA-N 454.490 2.240 10 20 JECD CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1847431629 BOWSBQYPNWOIGL-AABGKKOBSA-N 482.537 2.403 10 20 JECD CNS(=O)(=O)c1cccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 916486021 SRPYWHPMQAAMCU-UHFFFAOYSA-N 486.516 2.450 10 20 JECD CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918199619 LBOHAAMQRFNEPN-UHFFFAOYSA-N 464.563 2.037 10 20 JECD COCCNC(=O)C1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 918221076 NNEYUVNQDFNVCT-CALCHBBNSA-N 450.555 2.124 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(CC(=O)N(C)C)cc3)cc2F)C[C@H](C)O1 918286273 GJVHKWXJWAYZLI-IRXDYDNUSA-N 470.545 2.325 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccnc3-n3cccn3)cc2F)C[C@@H](C)O1 918288000 SBLGTZZAJQFAID-IYBDPMFKSA-N 452.490 2.275 10 20 JECD C[C@@H](NC(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(N2CCOCC2)cc1 920866892 OKXMKJBVPFLTSQ-FOIQADDNSA-N 455.481 2.457 10 20 JECD CC[S@@](=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1779223233 CVLMINYVVANMRQ-CCSNXWMJSA-N 472.991 2.037 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008551 DXUZCAXRNMOAOM-CMJOXMDJSA-N 459.930 2.469 10 20 JECD O=C1CCc2ccc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)cc2N1 1782513422 JCYQIOPAMDSOEW-DEOSSOPVSA-N 485.924 2.393 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)cc1)C2 1783222118 XHLMWZWOCOLXMK-SXEWRAPISA-N 468.506 2.350 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3C1)CCO2 1785510466 LMTHEPZCMOQPGJ-WDQQZUAOSA-N 478.545 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1ccc3occ(Cl)c3c1)CCO2 1785545325 PEMHBFAEPDQHKH-NRFANRHFSA-N 493.994 2.390 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3c(F)cccc3Cl)C[C@@H]21)c1cc(O)nc(O)c1 1787292007 KIWOPPAUXNHNHU-QITLCBANSA-N 463.893 2.121 10 20 JECD CCOc1ccsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1792385309 PJZVQPFNDCVMFR-VPTLXERWSA-N 482.562 2.143 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cncnc2)cc1 1794166066 MKFJWMPXMZJXES-BRTYFSMRSA-N 459.550 2.330 10 20 JECD COC(=O)c1ccccc1CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796600805 FIMLXRCATGAGPT-BCDXTJNWSA-N 453.495 2.164 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)Cn2cncn2)cc1 1797899999 ZULBSIIVPCQRLM-MDTJBUOBSA-N 476.581 2.225 10 20 JECD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1802240038 DJZMIFNULGUROD-WTNASJBWSA-N 478.549 2.173 10 20 JECD COC(=O)[C@H]1CCC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1804291686 UJAGPEUJGJJIMH-FYSVLYPESA-N 472.538 2.434 10 20 JECD Cc1nnsc1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1808650499 SDURWSVQGVSRFY-FOMSVSHPSA-N 481.534 2.391 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811803358 IGGNNXJPGRWSCN-OWDMVUQNSA-N 474.945 2.333 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CCc2cncnc2)[C@H]1c1cccnc1 1814162633 OGOFVZFHPVBVSP-YCUIQQIWSA-N 489.532 2.340 10 20 JECD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n[nH]1 1814164291 XVZJREWBIMCIHH-QLFHSEGHSA-N 477.521 2.192 10 20 JECD COc1cccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1814190042 PDVVOUSJYJAZMQ-UWJYYQICSA-N 484.603 2.270 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccc4[nH]ccc4n3)sc2C1 1819046912 YYBWESGVXDLHHN-SNVBAGLBSA-N 486.604 2.106 10 20 JECD CC(C)n1nccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1819817614 QOUDNUYNCMQEOH-CQSZACIVSA-N 475.600 2.353 10 20 JECD O=C(CN1CCCCC1=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823713409 LPNQXQZUUYGVPN-LBPRGKRZSA-N 478.958 2.446 10 20 JECD CNc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc1 1828242230 FORCJRIOCLTGMG-ZDUSSCGKSA-N 475.621 2.271 10 20 JECD CC(=O)N1CC[C@@]2(C1)CN(C(=O)/C=C/c1ccc(O)c(O)c1O)CCN2C(=O)OCc1ccccc1 1829474440 PRNIPEJFGATRCP-QTOANSKZSA-N 495.532 2.289 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1Cl)CCO2 1838868334 XHBCQKBPVPYYTN-HLZSCNFSSA-N 488.924 2.240 10 20 JECD COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)CCO3)C2)CC1 1839348438 SKQRMMHQNIOOPE-SANMLTNESA-N 495.576 2.117 10 20 JECD Cc1ncccc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432191 GLYJIMSMOPXYQP-XMMPIXPASA-N 489.956 2.157 10 20 JECD O=C(c1cc(Cl)cc2nn[nH]c12)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442431 KHTHSHJVYJCRDY-UHFFFAOYSA-N 477.912 2.221 10 20 JECD COc1ccc(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1OC 1844913033 OIXQCHLWDWUKFE-UHFFFAOYSA-N 462.506 2.314 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)CCN2CCCC2)C1 1847124994 WYHKFZOSRZMLEN-JOCHJYFZSA-N 499.656 2.394 10 20 JECD O=C(CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 104603145 OGHDPRJPFXLSNE-AWEZNQCLSA-N 464.503 2.257 10 20 JECD COc1cc(CCNC(=O)C2=S=C(NC(=O)c3ccco3)C=C2C)c([N+](=O)[O-])cc1OC 495489282 HWLVJTXECYIFKW-UHFFFAOYSA-N 459.480 2.289 10 20 JECD COc1ccc(N2CCC(NC(=O)CCNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 726631812 DAFIPBLDEJVQCZ-UHFFFAOYSA-N 474.583 2.107 10 20 JECD Cc1cc(C(=O)COC(=O)c2cnn(C)c2C(F)F)c(C)n1-c1ccc(S(N)(=O)=O)cc1 727565306 AFHVFAOXINDENA-UHFFFAOYSA-N 466.466 2.452 10 20 JECD CS(=O)(=O)CCOc1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 750711046 UZJAARAIFSWZMB-GOSISDBHSA-N 474.583 2.133 10 20 JECD CCOC(=O)N1CCC(NC(=N)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 849064071 ADBGHZPRWBXDJU-UHFFFAOYSA-N 484.580 2.177 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)Cn3cnc4cc([N+](=O)[O-])ccc4c3=O)cc2F)C[C@@H](C)O1 917154504 KBYDGENRWOEVFT-HUUCEWRRSA-N 469.473 2.374 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCN3CCN(c4ccc(F)cc4)CC3)cc2)C1 918117117 HFCZJMPDHAHEHU-OAQYLSRUSA-N 482.604 2.149 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2F)C[C@@H](C)O1 918288117 UCBUCEIPLFEWOW-HDICACEKSA-N 498.555 2.167 10 20 JECD CCn1cc(NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)ccc1=O 920937845 FDPSVOLJQRHTAM-UHFFFAOYSA-N 451.506 2.446 10 20 JECD COC(=O)/C=C\c1ccc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 931295187 CMYLXWWAMZZRBZ-VURMDHGXSA-N 476.467 2.200 10 20 JECD Cc1cc(C)n(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)n1 1783222673 IYGXBTYHDRFIFA-YRHVXKOMSA-N 498.580 2.234 10 20 JECD COc1ccc(F)cc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785509837 ANQHUXBUUMDPSN-MLENBVEFSA-N 472.469 2.108 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc(OCC2CC2)c(F)c1 1792088132 JLXXDXSZZKQASX-MDKPJZGXSA-N 485.512 2.328 10 20 JECD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)ccc(F)c1F 1796482495 BAYIDNLCWIRDDF-RSQQPWMTSA-N 482.487 2.269 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n(C(F)F)n1 1807994502 HFIFHQXYSBFMIW-KUHUBIRLSA-N 472.452 2.421 10 20 JECD CC(=O)Nc1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1809595150 GAYYTTJOATWZPG-KBMIEXCESA-N 489.532 2.409 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cccc(O)n2)[C@@H]1c1cccnc1 1814161646 AVFDEWJBCFZHMK-PAAJWNESSA-N 476.489 2.332 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)n1 1817844205 TUAZLXQSXFHFGN-INIZCTEOSA-N 465.470 2.189 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)c3cnn4ccncc34)sc2C1 1818508691 GNXNCWWZMJCKPO-NHEDYWLLSA-N 492.517 2.242 10 20 JECD NC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)c1ccccc1 1827425937 DLZPWCDPAJUGPR-SFTDATJTSA-N 452.555 2.469 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cccnn3n1)CC2 1828198374 YLTUWECGNRZYEK-FLUIGGAXSA-N 492.517 2.242 10 20 JECD NC(=O)c1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877051 SOMWJKYWBUHKAR-QRBZPYHOSA-N 494.548 2.244 10 20 JECD O=C(CSc1ncccn1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901287 CTDUWPRRWPAZSQ-INIZCTEOSA-N 493.680 2.049 10 20 JECD O=C(Cc1cccc(Cl)n1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1833179047 WUBTUKFAJRDJJU-JOCHJYFZSA-N 496.347 2.112 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1coc(Cl)n1 1833985900 YOWYOTQHDSTBKI-UHFFFAOYSA-N 498.971 2.306 10 20 JECD Nc1ncc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)s1 1834767163 KZBYOEXKEGOVAY-UHFFFAOYSA-N 479.990 2.289 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccnc(Cl)c3)CC2)CC1)c1cc(O)nc(O)c1 1834987972 CVZAODYZGLINIJ-UHFFFAOYSA-N 459.934 2.040 10 20 JECD CC(C)CNC(=O)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838109239 ZDLSCCVYKMWVPZ-UHFFFAOYSA-N 481.977 2.136 10 20 JECD O=C(CCCc1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433392 UIQQBEGLVMIMDV-XMMPIXPASA-N 489.956 2.239 10 20 JECD Cc1ccc([C@@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1 1840881097 CGSDCNOPEOEUDT-OUIOLJNISA-N 496.560 2.385 10 20 JECD COC(=O)c1ccc(CC(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)s1 1843442338 BMKXWRPZQXDUKN-UHFFFAOYSA-N 480.546 2.074 10 20 JECD O=C1CCc2ccc(C(=O)N3CC4(CCCN4C(=O)c4cc(O)c(O)c(Cl)c4)C3)nc2N1 1845501231 PBTUSOWOUWFLBD-UHFFFAOYSA-N 456.886 2.162 10 20 JECD Cc1cc(C(=O)COc2cccc[n+]2[O-])c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 727472298 BIIYIFXEIIUCHC-UHFFFAOYSA-N 471.535 2.010 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)c1 731207763 UWOJGCMMZKZQLH-NLFFAJNJSA-N 486.657 2.240 10 20 JECD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCc3ccc(N(C)C)c(F)c3)CC2)cc1 746866893 VEWJEZBDHRKISZ-UHFFFAOYSA-N 490.601 2.130 10 20 JECD CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)cc2)CC1 857494299 MDKFMTNRZMREQM-XMMPIXPASA-N 498.649 2.213 10 20 JECD O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1)c1ccc(O)c(O)c1 916611609 TUHIOPFIPKLSRV-UHFFFAOYSA-N 498.897 2.486 10 20 JECD COc1cc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@@H]2CCCO2)cc(O)c1O 916856949 SWSDUXSXFIGPIX-INIZCTEOSA-N 489.550 2.323 10 20 JECD C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917030293 UALVPLUUBUQMNX-KURKYZTESA-N 492.617 2.396 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCNC(=O)c3ccccc3Cl)cc2)C1 918118936 WJRGBSCLFFHUHD-KRWDZBQOSA-N 457.962 2.271 10 20 JECD Cc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)s1 918120726 BVUFPIKZMCUFNY-LJQANCHMSA-N 469.611 2.426 10 20 JECD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)c2C)c1 919074091 ZGHYIUBZXHHVIR-AZUAARDMSA-N 472.563 2.164 10 20 JECD CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 919779743 XJAOBDZWAFWEJL-KRWDZBQOSA-N 460.600 2.364 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F)c1ccc(N2CCOCC2)cc1 920922623 HITWLAJMLLDMMD-CQSZACIVSA-N 467.494 2.335 10 20 JECD Cc1cc(C(=O)NC2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)no1 1318141769 VJXGTSMVAWYKJR-UHFFFAOYSA-N 459.522 2.187 10 20 JECD C[C@H]1CCCN(C(=O)CCNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 1346270514 CPWDBECSZVOMQV-IBGZPJMESA-N 483.592 2.390 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)ncn1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127245 AVLBFYZJLKRHCJ-NTKDMRAZSA-N 496.955 2.050 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)CCCC(F)(F)F)CCO2 1785503202 CGVYAOYVKOJNPU-XXIDSNJLSA-N 458.433 2.379 10 20 JECD CCC[C@H](NC(C)=O)C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1792279882 BAEFJIOYICRBFB-KRWDZBQOSA-N 476.624 2.286 10 20 JECD CC(C)(C)OC(=O)NCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1793871809 QQDQEVSOWRDPLV-MUJYYYPQSA-N 498.671 2.180 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2ccc(C(F)(F)F)cn2n1)c1cc(O)nc(O)c1 1796433114 QDKGMSPSJQPLGT-BTTYYORXSA-N 476.415 2.120 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCOC1)C2 1796749483 ZZKHNEMQNFKNPK-MIUGBVLSSA-N 486.613 2.379 10 20 JECD O=C(CCCCn1cccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1797884989 GWMVYBGQFLXAII-LMDGECGLSA-N 469.538 2.078 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(=O)n2C)C3)cc1 1799620601 WOZHRABLCBOBFA-GQEURGSBSA-N 474.561 2.310 10 20 JECD O=C(Cc1cnc2ccccn12)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1803101875 PAWDEYCWGIKEGS-BXKMTCNYSA-N 472.505 2.098 10 20 JECD Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)nc1 1804539835 BBZOVNGIVNKGHT-FDDCHVKYSA-N 497.646 2.284 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cncn2-c2ccncc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991169 NIQGYTYSOYDLAK-SBUREZEXSA-N 485.504 2.102 10 20 JECD O=C(CC(F)(F)C(=O)O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1808296333 NCCZVMHHHYHARY-CVCWVKEYSA-N 491.447 2.028 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)C1 1810550627 PCZMJGIPSWVNCZ-DLBZAZTESA-N 459.543 2.317 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)[S@](=O)c1ccccc1 1812355376 XUBOVLDKEAUCAV-WSUNNCMOSA-N 494.573 2.404 10 20 JECD O=C(CCNC(=O)c1ccccc1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1814023818 RODSTTPBJUOLRA-DVECYGJZSA-N 489.532 2.028 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2)c1cc(O)nc(O)c1 1816728268 DGYKKVUFHVOCCM-SNVBAGLBSA-N 495.477 2.273 10 20 JECD Cn1nc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)c2c1CCC2 1817845334 KHHIOZXVEBCWNW-MRXNPFEDSA-N 451.487 2.058 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2CCC3(CC2)OCCO3)[nH]n1)c1cc(O)nc(O)c1 1817847076 KDCJOLVMHHHWFC-KRWDZBQOSA-N 471.514 2.455 10 20 JECD O=C1CC[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CN1 1821290690 AGSKSJJOUMEPNI-ABAIWWIYSA-N 461.906 2.306 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)nc2F)CC1 1823639017 LYUWXLKMRPQNRI-OAHLLOKOSA-N 482.578 2.453 10 20 JECD COC(=O)C1(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)CC1 1823714064 XKTQJYANARGZRZ-JTQLQIEISA-N 465.915 2.387 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1831188406 SIPAMFQUOSUZRY-JIPXPUAJSA-N 496.608 2.079 10 20 JECD Cc1nccn1CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832164288 SVWYSHYWJURIHP-LJQANCHMSA-N 491.683 2.452 10 20 JECD Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)nc1 1832898532 OCLNPOZXIALJPK-SFHVURJKSA-N 460.625 2.484 10 20 JECD O=C(Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1834997771 LOPJADMXPAKRBP-QHCPKHFHSA-N 460.914 2.064 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)C1=NO[C@@H](c2ccccc2)C1 1835459273 RZUMNDDWBDLERP-JOCHJYFZSA-N 493.564 2.196 10 20 JECD CCO/C=C/C(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1846501654 WSDKTYPNRJFGTO-PEKVBPLLSA-N 489.569 2.287 10 20 JECD CC(C)(C)OC(=O)N(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(c2ccccc2)C(=O)C1)C1CC1 1847349814 GWCNSAQVIDOCFQ-SFTDATJTSA-N 495.580 2.381 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 36784778 CZNSURATCGJYIM-NRFANRHFSA-N 489.594 2.025 10 20 JECD CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC(=S)Nc1ccc(C(N)=O)cc1 726434483 BRQYDPPHYRJJIM-UHFFFAOYSA-N 466.545 2.038 10 20 JECD C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 727601406 URLGOFJYFYGWLY-FXAWDEMLSA-N 487.626 2.199 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1)c1ccc(N2CCOCC2)cc1 729060505 HUNIRRMQZJCTDF-QGZVFWFLSA-N 486.594 2.122 10 20 JECD COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)c1 746978398 LUTKCPMPPMVFLT-UHFFFAOYSA-N 480.562 2.125 10 20 JECD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(N4CCCC4)cc3)c2)CC1 915083774 PKWQJXSBMTUMKS-UHFFFAOYSA-N 470.595 2.070 10 20 JECD CN1CCN(C(=O)c2ccc(CNC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2)CC1 918205541 NPZDHKLLDQSWCH-UHFFFAOYSA-N 479.625 2.282 10 20 JECD Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 918309068 UNMYZWONDUIJOB-UHFFFAOYSA-N 452.555 2.265 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCNC(=O)c3ccco3)cc2F)C[C@H](C)O1 918884422 WOBMAGRAELITNZ-HOTGVXAUSA-N 461.490 2.012 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCc3ccoc3C1)C2)c1cc(O)nc(O)c1 1777846429 HMDLEMPPINXBCG-SWWFSWNPSA-N 455.511 2.018 10 20 JECD CC[C@@H](C)[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781119178 CDOFSCKJNUZALM-IYBGGQRXSA-N 454.951 2.286 10 20 JECD CCN(C)[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781122989 KIRNPMMKSNPVDL-GKIWIXTESA-N 453.967 2.219 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1781637708 QHRULIXUJGTHMU-OAQYLSRUSA-N 450.850 2.353 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1782005630 RTANWJBULTUHRY-AUSIDOKSSA-N 458.898 2.198 10 20 JECD O=C(c1ccc2c(c1)OCO2)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005772 ZXHZVDMUKKNUIG-JOCHJYFZSA-N 460.870 2.237 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008103 VSNDLSWPKDVELW-FPTDNZKUSA-N 461.902 2.057 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(F)CCC2)C1 1782820482 PVEIPRMAIJZUGZ-AUSIDOKSSA-N 456.518 2.185 10 20 JECD C[C@@]1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)CC=CCC1 1783247076 PYECLKCKFGJRII-NPFVIJTESA-N 465.641 2.107 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783496784 ZXDDZGXFORBEDL-MNCIPDHPSA-N 497.935 2.105 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1783710238 QJTNCDPMNBYKSD-MCMMXHMISA-N 483.949 2.108 10 20 JECD COc1cc(C)ccc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1785005861 VWUJZUCQHDRTCR-JLEGMICCSA-N 468.506 2.277 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1Cl)CCO2 1785507504 QIUXWCWOZSUOIV-WYAMSBGYSA-N 459.886 2.009 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc(Cl)cn1 1788865831 QKMOTQXPGBPORN-VRILCFSQSA-N 473.913 2.159 10 20 JECD COc1cccnc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790243068 QCRWQSHGJFLNHG-HTZUNMPGSA-N 489.956 2.381 10 20 JECD C/C=C(/C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796307284 CDJCGLMNEQYINL-RKPRTGHQSA-N 486.613 2.260 10 20 JECD O=C1Cc2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3=NN(c4ccccc4)C(=O)C3)c2N1 1796935013 NGSPXOIGWDUXFS-GGPHIMKMSA-N 471.517 2.226 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(F)CCCCC1 1797201267 CWJMFPPICAVZPA-UPHUGPLXSA-N 456.518 2.041 10 20 JECD O=C(CCc1ccc(F)nc1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804442340 OKLWFRGSWFCMCW-SBUREZEXSA-N 465.485 2.374 10 20 JECD COc1cnc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cn1 1806049571 ATHLVYLSKSUZKA-NGOAQKHGSA-N 491.504 2.030 10 20 JECD Cc1cnn(CC(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)c1 1807672911 CJNXEWJTOSQCDG-DBUITHOJSA-N 477.521 2.123 10 20 JECD Cn1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c2cccnc21 1807995920 LCMCGJYURPWALW-AOMKIAJQSA-N 472.505 2.408 10 20 JECD Cc1cnc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cn1 1808465700 XLFGOAOEVGQNBW-CYFREDJKSA-N 483.532 2.293 10 20 JECD Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814185507 CFNJGWNIEJCTAK-MBSDFSHPSA-N 498.630 2.335 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)[C@@H]1c1cccnc1 1814186266 ZFHUUFOKZALFDA-MGPUTAFESA-N 485.591 2.127 10 20 JECD O=C1CCc2ccc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)cc2N1 1816728702 MTFDYJDLDVSNMD-CQSZACIVSA-N 479.518 2.374 10 20 JECD C[C@@H]1CCc2c(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cc(O)nc(O)c3)CC4)n[nH]c21 1818335281 WNSUKTQJXPTUDO-MWLCHTKSSA-N 454.512 2.262 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc(O)cc1 1820581700 LJOXZMBECOAOTG-OAHLLOKOSA-N 459.553 2.282 10 20 JECD Cc1nc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cs1 1825202941 XJJYDCWBEANEKX-KRWDZBQOSA-N 480.681 2.474 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCC=CO2)CC1 1828900098 OCNFUQPHINNFLV-SJORKVTESA-N 451.614 2.159 10 20 JECD CCOc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)nn1 1829838461 YHSFVZDPUWZHDQ-GOSISDBHSA-N 455.515 2.229 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3Cc4ccccc4C3)CC2)CC1)c1cc(O)nc(O)c1 1834988240 CANGLGFDJJBVAG-UHFFFAOYSA-N 464.566 2.093 10 20 JECD O=C(c1cc(N2CCCC2)ccn1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038608 FPGFZMZGXZPRPY-FNORWQNLSA-N 464.522 2.329 10 20 JECD O=S1(=O)CCN(c2ccc(CNS(=O)(=O)c3cccc(OC(F)(F)F)c3)cc2)CC1 726976796 POPFSCHAKUUMFT-UHFFFAOYSA-N 464.487 2.299 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCc3ccccc3CN3CCOCC3)CC2)cc1 742948455 SNVWADPUKQMNSK-UHFFFAOYSA-N 467.614 2.149 10 20 JECD CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)cc1 917870656 SZGMVENDGNNCLX-HSZRJFAPSA-N 474.583 2.417 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(F)c(S(C)(=O)=O)c3)cc2F)C[C@H](C)O1 919945477 IOELTXZNOJJMOI-KBPBESRZSA-N 474.551 2.460 10 20 JECD CC(C)(C)C(=O)C=c1sc(=Cc2ccc(N3CCCC3)cc2)c(=O)n1CC(=O)NCC(F)(F)F 1317917905 LNBRCJXBLIEHCY-UHFFFAOYSA-N 495.567 2.413 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cn2ncccc2n1 1778666421 DJFSAHGWMORGEM-WZONZLPQSA-N 485.928 2.235 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)nc1C 1785773045 SBUGRPWAEJAPRC-URZAVPNBSA-N 467.522 2.122 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@H](O)c1ccccc1 1786671462 KTQGNSVNQPWXSI-JKTDJZPLSA-N 460.914 2.078 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOCC4)C[C@@H]32)cc1 1790126357 VZLJOHGDKAFZPY-HVCNVCAESA-N 480.609 2.020 10 20 JECD COc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)c1OC 1790244191 UABOXAXJJGWEQM-YEWDVWPNSA-N 491.928 2.071 10 20 JECD CC(=O)N/C(C)=C/C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792316151 SYZAIGHECOWDKW-JLHYYAGUSA-N 460.581 2.021 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(-c3ccccc3)n1)C2)c1cc(O)nc(O)c1 1796137483 JBJVSHHGUXWLIW-CWPLJXCYSA-N 466.519 2.133 10 20 JECD C/C(=C\c1ccc(C)o1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1797847647 MALAZZUITSGTQN-PHMXQKNYSA-N 476.533 2.374 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCCC2)C3)cc1 1799621573 VSHZYZAVHIXVCF-BRTYFSMRSA-N 450.583 2.393 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cn3ccccc3n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995135 CJPLYABFYMVSHX-KSFYIVLOSA-N 458.478 2.169 10 20 JECD O=C(CCc1ncc[nH]1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813274944 ZFWQCKNHNYIZGF-UQBPGWFLSA-N 485.548 2.236 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccn1 1814191011 FSWVQTYEQAEFQV-XPIZARPCSA-N 483.619 2.146 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc2ncccc2[nH]1 1821390341 DSGMCTLNAIWZQA-INIZCTEOSA-N 483.579 2.452 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@@H](O)Cc1ccccc1 1822079353 IITHCCAEDNWVLY-MSOLQXFVSA-N 451.483 2.125 10 20 JECD Cn1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)cccc1=O 1823476779 NFPVWZMVOGDZMV-SOGBHIHOSA-N 479.493 2.245 10 20 JECD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)n1cccc1 1823501141 OFSGJXIKSOYBRI-UKRRQHHQSA-N 460.585 2.325 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C3CC3)on1)CC2 1828243798 WFFNSBHVOKKPHG-JTQLQIEISA-N 477.593 2.095 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cn3ncccc3n2)CC1 1828261115 LHPCUWCCHKRHGH-GOSISDBHSA-N 450.499 2.083 10 20 JECD CC(C)(C)OC(=O)CCCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833327701 IBSSMHKYNCRSMG-UHFFFAOYSA-N 490.601 2.190 10 20 JECD Cc1nc(C)c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)s1 1834988285 WSJPBULOADOXIR-UHFFFAOYSA-N 459.572 2.065 10 20 JECD CC[C@@H](C)[C@@H](N)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837847742 CHZPTCDSJPLOAF-HOYKHHGWSA-N 483.613 2.151 10 20 JECD CC(C)(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)[nH]n1 1837991542 SWOJVUABUCCMGG-HSZRJFAPSA-N 492.960 2.156 10 20 JECD O=C(CCn1cncn1)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838688655 QYOUEJPESMNCHQ-UHFFFAOYSA-N 477.949 2.045 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1839434035 JXBWBUPSSKAAME-QHCPKHFHSA-N 486.912 2.011 10 20 JECD C[C@@H](C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[S@](=O)c1ccccc1 1845780588 LYQBZAJYZNKIRQ-GHNVDNAFSA-N 470.547 2.216 10 20 JECD O=C([C@H]1Cc2[nH]nc(C(F)(F)F)c2C1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039534 ZYZYTJFRQGOGAZ-MASHWEEQSA-N 492.454 2.177 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)N3CCC(N(C)S(C)(=O)=O)CC3)cc2F)C[C@@H](C)O1 725863267 BSVZKXMOYRKKJQ-IYBDPMFKSA-N 456.584 2.005 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(OC)c(OCC(=O)NC4CC4)c3)CC2)cc1 726725834 KIRQXOLGILNBQA-UHFFFAOYSA-N 496.564 2.085 10 20 JECD O=C1CCc2cc(-c3csc(NS(=O)(=O)c4ccc(-n5cnnn5)cc4)n3)ccc2N1 727246552 MYOQWHUJRUUYBZ-UHFFFAOYSA-N 453.509 2.471 10 20 JECD C[C@@H](OC(=O)CNC(=O)c1ccc(O)cc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 727542485 TUWHGRKGZCWTJL-CQSZACIVSA-N 472.453 2.468 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 729065329 CRKCXSBPDQASFF-HNNXBMFYSA-N 461.540 2.391 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccccc3S(=O)(=O)CC(F)F)nc12 731267852 HEESKCJFDHNSRO-UHFFFAOYSA-N 469.422 2.007 10 20 JECD CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)ccc21 747017003 KFUUCEYGSLMZDH-UHFFFAOYSA-N 464.975 2.228 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CNC(=O)c1ccc(Br)o1 748213117 VLNATGNEKCEYKJ-UHFFFAOYSA-N 452.305 2.040 10 20 JECD C[C@H](NCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1ccccn1 777652333 KTWPXUREBYZRSP-KVMVOAJRSA-N 470.576 2.479 10 20 JECD C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)cc2)C1 915731972 MLWYNLOIQYRRFL-QGZVFWFLSA-N 458.584 2.428 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)cc2F)C[C@@H](C)O1 917030286 UALVPLUUBUQMNX-FGTMMUONSA-N 492.617 2.396 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccccc3S(=O)(=O)N3CCCCC3)cc2)C1 917831834 BCLUUPBVZOKBDO-FQEVSTJZSA-N 484.622 2.493 10 20 JECD C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 917834596 KXODCMKHBIVFCG-XHCCPWGMSA-N 489.576 2.004 10 20 JECD COc1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1S(=O)(=O)NC(C)C 917834883 SLMVMZYNWQGPKZ-IBGZPJMESA-N 488.610 2.014 10 20 JECD COC(=O)COc1ccc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 917917930 KHIMRMPWOJFUAR-IYBDPMFKSA-N 466.531 2.470 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3cc(F)cc(F)c3)cc2F)C[C@H](C)O1 920655533 DMZNAFOFLPGJMY-GJZGRUSLSA-N 493.482 2.307 10 20 JECD C[C@H](NC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(N2CCOCC2)cc1 920867012 OKXMKJBVPFLTSQ-YWZLYKJASA-N 455.481 2.457 10 20 JECD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 920889097 LSNCMRMWMSTDHN-KRWDZBQOSA-N 474.583 2.027 10 20 JECD COc1c(Cl)ccnc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1780330093 JCIIGRVTMLYNSW-UUCGHWEQSA-N 489.912 2.017 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003287 QQAXMVDWWVFFRU-XMHCIUCPSA-N 483.949 2.108 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)C2)C1 1783806328 DYUXMSIGJAJDLM-BERHBOFZSA-N 472.545 2.413 10 20 JECD COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)ccc1F 1785510185 FPAIKYOGEGIHAI-PTGVWUEVSA-N 472.469 2.108 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccncc1Cl 1788862087 TXAYTWGXWQBVEM-HAMHFSBISA-N 473.913 2.159 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn4nccc4c3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245124 SQSFIWINXNGMJB-VHFSOBRXSA-N 470.913 2.306 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1sccc1Cl)C2)C1=NN(c2ccccc2)C(=O)C1 1796480923 VILYBFGMYTWGOF-HBCWATKFSA-N 472.954 2.398 10 20 JECD COc1ccc(Cl)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796481210 VCXJWQCWZZQEQS-RSQQPWMTSA-N 496.951 2.345 10 20 JECD Cc1cc(C)c(OCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c(C)c1 1804334617 URTQEGBOXADCGW-BCDXTJNWSA-N 475.636 2.489 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)on1 1805708676 PNIDRBVJYBKSCM-JPYJTQIMSA-N 472.505 2.491 10 20 JECD CC(C)c1cc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)no1 1806013791 VMLAIHFQIYLNDN-QRWLVFNGSA-N 487.607 2.373 10 20 JECD Cn1cnc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1C(F)(F)F 1807993016 FZKONBMLRNLEJK-ACJLOTCBSA-N 490.442 2.274 10 20 JECD C=CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1810532911 RJLWYTNIVISENZ-RCDCFZSISA-N 472.929 2.157 10 20 JECD N=C(N)SCCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811803499 JUVTWHPWEBFGHI-SCLBCKFNSA-N 477.974 2.483 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810627 WAKMOLYFNNXNGE-JVPBZIDWSA-N 493.969 2.043 10 20 JECD COC(=O)CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1813141005 UMWJICLRTVCEBJ-SBUREZEXSA-N 470.526 2.331 10 20 JECD CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)N(CC)CC 1815332013 HVCMPDJTABJTAJ-JKSUJKDBSA-N 480.660 2.383 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cncc(F)c1 1816534374 RTRGXTVEPPEBLF-AWEZNQCLSA-N 462.532 2.110 10 20 JECD CC(C)Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)n(C)n1 1816722509 JTTSKPBVQPGCAC-ZDUSSCGKSA-N 470.555 2.421 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)cco1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817362251 JEJHXLAXFFNNOJ-CYBMUJFWSA-N 477.502 2.115 10 20 JECD Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)no1 1817367089 RCANIVIFCSHHPR-AWEZNQCLSA-N 478.534 2.387 10 20 JECD COc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)n(C)n1 1823476784 NLXOXBHSEYDUEO-HEWZJLJBSA-N 482.497 2.288 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)COCc2ccccc2)[nH]n1 1823497221 SIAURKMKOZUCCC-QGZVFWFLSA-N 487.607 2.479 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c[nH]nc3c2)[nH]n1 1823497484 FPDPFTALPXETHS-INIZCTEOSA-N 483.579 2.452 10 20 JECD Cn1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)n1 1827141347 AGSSDAWVQACQJX-IEJURRBGSA-N 468.554 2.413 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cnn3c2OCCC3)CC1 1830879222 MICAXNSAUCDRGH-GOSISDBHSA-N 455.515 2.019 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3n[nH]c(C4CC4)c3F)CC2)CC1 1837332170 UTXZCFPOPGTVFN-UHFFFAOYSA-N 473.505 2.158 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)CC2)CC1 1838030017 YMPKLOINDKQHMB-UHFFFAOYSA-N 492.536 2.204 10 20 JECD CC[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)CC1 1840060592 YFMRFPQBYPMVLI-WYWGUVAKSA-N 488.581 2.489 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)C[C@@H]2CNc3ccccc3O2)C1 1844219650 ZYOBHMCIQIEAON-LJQANCHMSA-N 473.533 2.246 10 20 JECD CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)c(F)c1 1845526876 MSRXNMCXHMUPJI-UHFFFAOYSA-N 465.572 2.290 10 20 JECD COc1ccc(N2CCC(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)CC2)cc1 110353966 QGOIJNQNNVVZKB-UHFFFAOYSA-N 477.558 2.254 10 20 JECD COC(=O)[C@@H]1CN(C(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)CCO1 728540169 VHTCDVWLARSUAE-JGWKKKPCSA-N 485.381 2.051 10 20 JECD Cc1nc(COc2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2)no1 731125706 MJEJLTWUTOXBTC-UHFFFAOYSA-N 483.500 2.312 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CCc3nc(O)c4ccccc4n3)CC2)cc1 776076543 MYAOKLCPWSIWAN-UHFFFAOYSA-N 450.495 2.169 10 20 JECD CC(=O)NCCCNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 914453752 QZWGIZNBOGXXIF-ZROIWOOFSA-N 456.387 2.293 10 20 JECD CCn1c(=O)nc(O)c2c(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc(C3CC3)nc21 918672302 HQVXBXLPVJVXKY-KRWDZBQOSA-N 490.564 2.026 10 20 JECD COc1cc(OC)c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OC 918873953 RJYQWHBHYZDZIU-UHFFFAOYSA-N 462.474 2.161 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCNc3ccccc3[N+](=O)[O-])CC2)cc1 920253227 VCKRQISNGCPUHE-ZHACJKMWSA-N 453.499 2.037 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccccc1CN1C(=O)CCC1=O 920787838 YHPVOQSPRQWTGF-UHFFFAOYSA-N 466.563 2.144 10 20 JECD CCOc1ccc(N/C=C2\C(=O)NC(=S)N(CC(C)C)C2=O)cc1S(=O)(=O)N(CC)CC 920980652 UPPRXMUZLIFERP-FOWTUZBSSA-N 482.628 2.311 10 20 JECD CN1CCC[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)C1 1780575007 CPBGGPLWCLCKAI-FCORRRHLSA-N 465.978 2.221 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cn3cccnc3n1)C2)c1cc(O)c(O)c(Cl)c1 1781122788 OKGXTQYCZWEAJC-WZONZLPQSA-N 485.928 2.235 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1782008362 ZVOKPNDTFNUBBI-JOCHJYFZSA-N 456.886 2.156 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnnc(Cl)c1)C2 1783219864 FZCHVDNLYCWXQN-FKSJFJBLSA-N 488.928 2.088 10 20 JECD CO[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1785509535 URXXFBVDSUYDSX-QUEQUVSLSA-N 468.506 2.034 10 20 JECD Cc1cc(F)cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785510712 ZAZSDNJPIIURKF-CMEKQAILSA-N 470.497 2.337 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(=O)n4O)[C@H]3C2)cc1 1785630853 CDKGHISQXKQBSF-SSPYTLHUSA-N 490.560 2.400 10 20 JECD COc1ccsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787539695 QIDBKIQIPDLURS-KNBMTAEXSA-N 482.562 2.143 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccc(-n2cccn2)nc1 1788983515 DXLPGAGYBCAPID-KNBMTAEXSA-N 497.939 2.239 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 1790126721 JYIODQPJAREQEL-NMTNEYKDSA-N 478.593 2.378 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)c(Br)c1)C2)c1cc(O)nc(O)c1 1796140755 YJAIPNFDYDXPEQ-IVWMJMPLSA-N 496.745 2.426 10 20 JECD CC(C)(C)c1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1796428590 XGOGYLYHXVPDGH-QDMKHBRRSA-N 460.625 2.491 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1cn2cccc(Br)c2n1 1796604221 RPENNDLVONAEHW-BTTYYORXSA-N 486.326 2.469 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccoc1C(F)(F)F 1804333170 CNLYWKWXIFBGCW-JGPRNRPPSA-N 461.487 2.411 10 20 JECD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cn1 1805251586 DJFIQIMEGGNDJN-NTPDFONASA-N 475.505 2.330 10 20 JECD Cc1noc(N)c1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1807111112 LRPFHQZCATWJHT-ALTJJMMQSA-N 479.493 2.110 10 20 JECD O=C(Cc1ccsc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1807564368 GFEQEDPBORRTKT-OXQOHEQNSA-N 474.633 2.252 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cc2n(n1)CCC2 1809984803 GLIJYAHZVWQPCP-BHIFORQISA-N 489.532 2.374 10 20 JECD CC(C)n1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n1 1811577855 VXVAKUWFOIBWCT-IIBYNOLFSA-N 450.499 2.299 10 20 JECD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811809731 OYZZMMLRRZMAIB-ODMCQALKSA-N 491.928 2.082 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C(F)F)no1)CC2)c1cc(O)nc(O)c1 1816722103 CRFUWNVEZOHNOY-QMMMGPOBSA-N 451.411 2.415 10 20 JECD O=C(Cc1cc[nH]n1)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1821740038 BDSCRPVIDZKNJV-IBGZPJMESA-N 460.498 2.161 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@@H]1CCCS1 1823017286 BWQLTQOASVOKDQ-OLZOCXBDSA-N 453.615 2.158 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1c[nH]c3ncccc13)CC2 1828244342 BZUATGHASPIFLJ-JTQLQIEISA-N 486.604 2.106 10 20 JECD Cc1noc(C)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898733 XPRRJSLVWDSCCB-MRXNPFEDSA-N 464.613 2.385 10 20 JECD O=C1CCc2ccc(C(=O)N3CCC(OC4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)cc2N1 1838031762 KSJUYHPCDMZLLN-UHFFFAOYSA-N 494.548 2.304 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(OC3CCN(C(=O)CNC(N)=O)CC3)CC2)cc1 1838674326 LTTHFNFGTILKNJ-UHFFFAOYSA-N 481.597 2.375 10 20 JECD Cn1cccc1C(=O)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838811616 SGFYTTMINVOPIZ-FNORWQNLSA-N 497.548 2.037 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C(F)(F)F)c1F)CCO2 1839301596 ZFEQZDWJJNXENR-NRFANRHFSA-N 499.417 2.035 10 20 JECD Cc1cccc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1839370381 OXBFEDPECCIXOO-QGVYAHRCSA-N 482.533 2.204 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(F)cc3Br)CC2)cc1 743432539 PKMZVDJIASFHIV-UHFFFAOYSA-N 479.350 2.474 10 20 JECD C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)s1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 745251725 ATEFEMHDHAJCDH-LLVKDONJSA-N 484.511 2.355 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)Cc3cccc(F)c3)cc2F)C[C@H](C)O1 917298325 YZWVJARNZUSNBG-IRXDYDNUSA-N 489.519 2.097 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)C[C@H]3c4ccccc4CCN3C(C)=O)nc12 918913907 FYMOKIJXKHSFAQ-IBGZPJMESA-N 452.467 2.191 10 20 JECD C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 920870003 XKLXWVMPGAAPFV-LJQANCHMSA-N 458.584 2.300 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCN4CCOC4=O)C3)C2)cc1 1778159004 JRFUFMGNZOUIAD-AREMUKBSSA-N 480.565 2.380 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3cccnn3n1)C2)c1cc(O)c(O)c(Cl)c1 1781122192 VHHIFDUXASOSHS-AUSIDOKSSA-N 485.928 2.235 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@H]1C[C@@]1(F)Cl 1782297385 XXUCBJBATLHQKI-WYBVAHKZSA-N 468.909 2.255 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cnc4cccc(Cl)c4c3)C2)C1 1782500229 DROUTVHLAMYKIS-QHCPKHFHSA-N 468.897 2.452 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c(C)n1 1784297258 PUDJPGUDTNRXJX-GYAHLDOBSA-N 481.549 2.291 10 20 JECD CS(=O)(=O)CCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1 1792301187 OPCQSMYAMZUPSD-ONNFQVAWSA-N 474.535 2.385 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3cccn4c(O)nnc34)CCC2)cc1 1792313794 GZGYXQJNXGOYEZ-UHFFFAOYSA-N 496.574 2.043 10 20 JECD Cn1c(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc2ccccc21 1792818224 INPMTVDWKVTOEN-KYZQAEAJSA-N 491.544 2.141 10 20 JECD Cc1ccccc1-c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1796009365 ZZXQNCGYHYDWIX-FEJSZKPUSA-N 474.517 2.380 10 20 JECD Cc1ccc(C(=O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cc1 1799768285 QLWYVQQJYRLJJC-HGKCTWBKSA-N 458.898 2.146 10 20 JECD CN1CCCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1803171484 MFQKCYIKMMWZBE-OPHFCASCSA-N 488.592 2.365 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804283185 MOBSASBTCFRJRQ-XNZHWBCHSA-N 487.553 2.464 10 20 JECD Cc1ncoc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1805860662 WVXFFKQTIBWICM-PGRDOPGGSA-N 472.505 2.491 10 20 JECD COc1cc(CCC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)ccn1 1806794234 JTVYLQFMLCHPFA-UHFFFAOYSA-N 490.651 2.114 10 20 JECD Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c(C)n1 1811225448 ZADMJQQHEGAFQS-DYESRHJHSA-N 483.619 2.273 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cn2ccnc2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811798321 MKQRLOWSKGXZML-FOIQADDNSA-N 455.902 2.363 10 20 JECD Cn1cccc1C(=O)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813479437 NADLIRYGOYQRCE-SXVOPIBFSA-N 490.516 2.139 10 20 JECD CO/C=C(\C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814163558 HNCPKGPOHAYDPC-FPNQEUPVSA-N 453.495 2.468 10 20 JECD O=C(NCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)c1ccccc1 1817848471 LRPDEUJLZTUCSB-GOSISDBHSA-N 478.509 2.342 10 20 JECD COC(=O)C1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)CC1 1818147974 SOGJWNZRRLJHDL-GOSISDBHSA-N 478.509 2.148 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)C1CCCCC1)CCO2 1834698875 QXTKCGYQHMGHQB-QFIPXVFZSA-N 452.935 2.402 10 20 JECD CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)cc1 1838991161 XHTXPKNOEYQKJE-HHHXNRCGSA-N 490.560 2.112 10 20 JECD CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1841922931 XVISUPBMYMTNIN-INIZCTEOSA-N 462.547 2.393 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)c2ccno2)C1 1842438222 BJRWJMGRNRXGDW-INIZCTEOSA-N 486.525 2.039 10 20 JECD O=C(c1cnc2ccc(C(F)(F)F)cn12)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249475 OASGELZGEFDGKT-UHFFFAOYSA-N 461.400 2.290 10 20 JECD COC(=O)CCCCCC(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442538 RENVCFJFUXOUTD-UHFFFAOYSA-N 454.527 2.106 10 20 JECD COc1cc(OC)c(F)c(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1 1847038955 VWTZMWAXKZVZEZ-FNORWQNLSA-N 472.469 2.490 10 20 JECD C[C@@H]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(O)nc(O)c2)CN1C(=O)OC(C)(C)C 1847240285 BYVCLOLONPAXKC-LMSBXDPUSA-N 474.558 2.344 10 20 JECD CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc(O)c(O)c2O)C[C@H]2C[C@H]21 1847574212 PNOUYJMOJQQPGF-ICNKBGRASA-N 499.564 2.416 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(Cn2ccnc2)cc1 1848148212 YNYUNOWJXCQDMY-KJBZUCPPSA-N 495.630 2.007 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 15410662 JCMQYJWIVHVKFN-UHFFFAOYSA-N 465.019 2.371 10 20 JECD NC(=O)C1CCN(c2ncccc2CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 729227504 ULYITKNCRHZBRH-UHFFFAOYSA-N 468.627 2.336 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1OCC(=O)NC1CC1 915778787 QAQCZMQMKWWHPT-UHFFFAOYSA-N 466.538 2.208 10 20 JECD C[C@H](OC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 917814008 IZIUSHDFIODGIE-WRJWKURHSA-N 498.491 2.139 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC(NC(=O)c4ccccc4)CC3)cc2)C1 918118045 NRPTVQQSUQPNLM-OAQYLSRUSA-N 463.582 2.492 10 20 JECD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C2CC2)cc1 918455850 FNPCJHIMTGZQHE-UHFFFAOYSA-N 450.539 2.355 10 20 JECD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 918701192 YUERDIRBOIVFKU-UHFFFAOYSA-N 476.624 2.183 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1)c1ccc(N2CCOCC2)cc1 920927286 ZPJBSEBUEJXYDS-FQEVSTJZSA-N 465.598 2.481 10 20 JECD Cc1ccn(C)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127320 GHCAECXYKCAMNI-QFQXNSOFSA-N 477.565 2.254 10 20 JECD COCc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1 1778127907 PEBFMWSWTOMCQN-ATIYNZHBSA-N 493.564 2.082 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781751208 FZDOLKCPNVZPSP-AREMUKBSSA-N 466.582 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C23CCC(CC2)CC3)C1 1782705474 QNEBUQBJSGJQBQ-NTPNBAIZSA-N 479.668 2.331 10 20 JECD CC1=CC[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)CC1 1783248191 PZJZNRRICMEBOB-DRSNIGMVSA-N 465.641 2.107 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3cc[nH]c3c1)C2 1783248207 RJUPEMDBXVRWMW-WZONZLPQSA-N 486.619 2.156 10 20 JECD CC(F)(F)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785504139 YATFCXNSKCFBBJ-YHCZKZFASA-N 454.470 2.328 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(c4ccccc4)CC3)C[C@@H]21)c1cc(O)nc(O)c1 1787291698 CFVQECRJSWLFQB-NYVOZVTQSA-N 480.565 2.003 10 20 JECD O=C(Cn1cncn1)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788672525 NXDGZTQUZAOXCN-UHFFFAOYSA-N 457.494 2.205 10 20 JECD CC(C)(C)n1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)n1 1794421180 RVLCHMXFUOGSBL-ZSBFGKGUSA-N 462.934 2.220 10 20 JECD COc1ccc(C(=O)CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)cc1 1796599509 SXEVCVFONGSUSU-BCDXTJNWSA-N 453.495 2.416 10 20 JECD CCN1CCN(c2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(O)nc(O)c3)cc2)CC1 1796603102 AGLOUZFPOIVRNP-QQFNCUIESA-N 479.581 2.200 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cnc1Cl)C2)c1cc(O)c(O)c(Cl)c1 1799769328 GVXLSQMSAAWLMA-CULMDFNYSA-N 470.284 2.456 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc2c(c1)C(=O)CC2 1799959532 NLBPLJGZFIRHIL-VPTLXERWSA-N 470.909 2.397 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cc(=O)cco1 1806131119 DIAHFYDTWRSHLI-TXXGBIHESA-N 477.473 2.185 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cc(C(F)F)no1 1807727422 QRJKPUBGRNEHGU-SJKOYZFVSA-N 495.533 2.187 10 20 JECD COC(=O)c1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1807997720 DKSZWOYSBKKMLH-CYFREDJKSA-N 490.516 2.237 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1nccc2[nH]ccc12 1808096289 WYEKMBKOGAKCST-BTYIYWSLSA-N 494.602 2.138 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1808331556 PHXBULJQTNJCCL-WZONZLPQSA-N 489.532 2.463 10 20 JECD Cc1nc[nH]c1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808468819 YWZMKVVGMMMAJF-MBSDFSHPSA-N 471.521 2.226 10 20 JECD O=C(/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)NC1CC1 1811805841 DLVGWMLUXDJEQI-OSXZDTAJSA-N 484.940 2.301 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccnc2ncccc12 1812159392 VEUWTIAPOVBLHS-KSFYIVLOSA-N 470.489 2.464 10 20 JECD CCOC(=O)C1(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)CC1 1814165552 HQUZLCQTXDVAOG-GLCUETTDSA-N 495.532 2.261 10 20 JECD CCOc1ncccc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814184802 GJLZOJNXSIHTQL-OXJNMPFZSA-N 499.618 2.055 10 20 JECD CC(C)N(C)CC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367014 MWLVBWIBGRXSDN-OAHLLOKOSA-N 468.583 2.188 10 20 JECD CC(C)O[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823499996 JGZCJHYPVJLCBW-OCCSQVGLSA-N 453.590 2.076 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cn4c(F)cccc4n3)sc2C1)c1cc(O)nc(O)c1 1824136381 GLFPYIFILDLOEU-LLVKDONJSA-N 468.470 2.276 10 20 JECD O=C(c1ccc2ncnn2c1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427903 DIXVDVLTAHUXRM-GOSISDBHSA-N 450.499 2.083 10 20 JECD CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)CCCC1 1828241847 DBIMLRYDNAXHHC-LLVKDONJSA-N 452.627 2.496 10 20 JECD Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cn1C 1832902771 UUYBQAOQOQILSQ-SFHVURJKSA-N 462.641 2.427 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1cccc(O)n1 1834200288 VWAFXUWAYOUFIX-UHFFFAOYSA-N 474.945 2.351 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)ccc(O)c1F)CCO2 1839412040 YLYRVCGFQSXWOR-QFIPXVFZSA-N 498.866 2.119 10 20 JECD CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)CCC1 1839433846 CYEPHGMWTYNWEF-JOCHJYFZSA-N 452.935 2.402 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cnc3ccc(F)cn23)C1 1845684241 DZUQBAIWWFBXHY-UHFFFAOYSA-N 460.469 2.083 10 20 JECD COc1cncc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc(O)c(O)c2O)c1 1848188277 KZXXLIBAMGIKHG-WYTIROKMSA-N 453.495 2.055 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 18538219 NMVJMZJAPJKIHA-UHFFFAOYSA-N 456.499 2.313 10 20 JECD COc1ccc(N2CCN(CCNC(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)cc1 57006372 JNPCLDGXFQDVTG-UHFFFAOYSA-N 450.539 2.010 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NC[C@H](c3cccc(F)c3)N3CCOCC3)CC2)cc1 726244885 JUUQUSZZWFWEAO-RUZDIDTESA-N 485.604 2.329 10 20 JECD C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 727601412 URLGOFJYFYGWLY-YLJYHZDGSA-N 487.626 2.199 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccccc1CN1CCSCC1 747312149 UBUMKRMUMMRWFF-UHFFFAOYSA-N 472.586 2.466 10 20 JECD CCCN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@@H]1CCS(=O)(=O)C1 822018693 JWNQALXYPRVFMR-CYBMUJFWSA-N 456.476 2.410 10 20 JECD CS(=O)(=O)N[C@@H]1CCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 915203806 SMANLSJHYDWAAG-LKKYZFDUSA-N 473.667 2.270 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)cc2F)C[C@@H](C)O1 917712475 OXWYFLSZPCYXMN-GASCZTMLSA-N 472.473 2.389 10 20 JECD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)C[C@@H](C)O1 918305143 DOJYXLQBBACHKO-HDICACEKSA-N 488.610 2.148 10 20 JECD O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918336370 YTZCKHFBPVRVPJ-UHFFFAOYSA-N 470.378 2.274 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C[C@H](NC(N)=O)c3ccccc3)cc2F)C[C@@H](C)O1 918927913 JZFSAVUZUAAPAB-FVJLSDCUSA-N 486.544 2.398 10 20 JECD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)C2)cc1 919754434 RQEPGOVMMFHAQD-YADHBBJMSA-N 498.649 2.414 10 20 JECD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccc(CN2C(=O)CSC2=O)c1 919840573 RNVLGIZKIOMFMK-UHFFFAOYSA-N 459.549 2.369 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccc2nccn12 1781319076 ZLQMMYXOCWMVRQ-LEKYLPEBSA-N 492.532 2.292 10 20 JECD COc1cc(F)cc(/C=C/C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c1 1782076581 NZHHIZVYCAYTTN-MLBMQPMDSA-N 485.512 2.481 10 20 JECD C[C@H](Cc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1784212949 OTYMJESPGXHMEL-HRFSGMKKSA-N 474.561 2.488 10 20 JECD Cc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(C)n1 1785510118 FAFDFRBWABXTKB-GYAHLDOBSA-N 481.549 2.291 10 20 JECD C[C@H](CC(N)=O)C(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1786428171 GHUUIXKGMUHBJL-MRXNPFEDSA-N 461.522 2.425 10 20 JECD Cc1cc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)ccn1 1787537287 LZJDKOUBNBPYRP-SSPYTLHUSA-N 489.576 2.095 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3nn[nH]c3C(F)(F)F)CCC2)cc1 1792314959 NNCDFDRJDOVLBY-UHFFFAOYSA-N 498.512 2.432 10 20 JECD COc1ccc(Cn2cc(CC(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(O)nc(O)c3)C4)cn2)cc1 1794268470 SGXUWASDBMSBOO-WKCHPHFGSA-N 491.548 2.241 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cc3nn[nH]c13)C2)c1cc(O)c(O)c(Cl)c1 1799769012 JRAAYPUANKNWRP-YQYWCBKUSA-N 492.319 2.193 10 20 JECD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)s1 1802078821 JQVNDKCLHKVCJM-JMJLSGOLSA-N 472.563 2.409 10 20 JECD CC[C@@H](C)[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S)c1ccccc1 1802104299 AIRUTEVWNKUKTC-WVIAUDPISA-N 489.663 2.266 10 20 JECD CC(=O)CCC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1806387972 MYSIZJMKHGYQRG-NTKDMRAZSA-N 461.522 2.250 10 20 JECD CC(C)NCCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1807329634 RMRKYRJQLCQGSE-SCOJYPESSA-N 468.554 2.306 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807615377 AQVSYFLOPYQDMT-JXFKEZNVSA-N 485.541 2.121 10 20 JECD COc1ncc(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)cc1C 1808848653 PVDHSQVAPHJXBR-UHFFFAOYSA-N 476.624 2.104 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1n[nH]c2ccccc12 1809829646 DEUBYWQDDKESEV-QVKFZJNVSA-N 494.602 2.138 10 20 JECD N=C(N)SCC(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811803908 OSOFCIGBHQGEAU-SJKOYZFVSA-N 463.947 2.092 10 20 JECD CN1CCCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162491 SRJBUHSLZXKQAG-WEDDNPGISA-N 480.565 2.402 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)CCc3cncnc3)sc2C1 1815541268 LPFJFGYMCYATHB-GZTQLTBSSA-N 481.534 2.308 10 20 JECD CC(C)(C)OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815595689 ZZQFCRZZSZHVMT-CYBMUJFWSA-N 453.590 2.077 10 20 JECD COCCn1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)n1 1817617722 AZMOFEWRRSZTQK-UFZAZABTSA-N 499.549 2.042 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1n[nH]c2c1CCCC2 1817877652 QCOGNZKWNNPTJR-HNNXBMFYSA-N 487.611 2.178 10 20 JECD O=C(O)CSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818147620 AGNCYVPFTZBJCR-QGZVFWFLSA-N 484.538 2.013 10 20 JECD C[C@@H]1CCC[C@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1818886197 JODAXKDWBAXJEE-GRYCIOLGSA-N 452.627 2.352 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc(O)ccc1F 1821080696 ABFJNIDDYGOCMU-HNNXBMFYSA-N 477.543 2.421 10 20 JECD CCOc1ncccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823496511 IPMABTYFUQEKSY-HNNXBMFYSA-N 488.595 2.370 10 20 JECD CCc1nc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)co1 1823500026 KOARHMOJYOSWTB-CYBMUJFWSA-N 462.557 2.126 10 20 JECD CCOC(=O)O[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1824613347 VWTLDDVAZACJFD-VMHQAGKSSA-N 491.522 2.447 10 20 JECD CC(C)c1nc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)no1 1825123543 LBTICUKKPWCFMX-INIZCTEOSA-N 493.655 2.216 10 20 JECD N=C(N)SCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1826878722 CYLUZQPIUWDIFY-HXUWFJFHSA-N 484.626 2.416 10 20 JECD C[C@H](Cc1ccco1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1826965144 BMBZIVUXPFDOJV-VXGBXAGGSA-N 478.621 2.387 10 20 JECD NC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)c1ccccc1 1826978681 GEAJRBJLRZVMAY-LEWJYISDSA-N 452.555 2.469 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCOC3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1828184957 PIPHJIOMBAAILC-LSDHHAIUSA-N 467.551 2.275 10 20 JECD COCc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1 1829631739 HNZPOQNYOODNSN-SFHVURJKSA-N 478.640 2.255 10 20 JECD NC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)c1ccccc1 1832898301 JQHDUKVEYUEDDD-UXHICEINSA-N 488.679 2.209 10 20 JECD COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)nn1 1836056123 LBPGXGULGNEKTG-UHFFFAOYSA-N 489.960 2.049 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(-c3ccccc3)s1)CCO2 1838187432 CZEMBTOQDNLDIE-XMMPIXPASA-N 496.545 2.000 10 20 JECD Cc1noc(N)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348361 PSNWQXDMAARHFX-AREMUKBSSA-N 493.564 2.357 10 20 JECD CC(C)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)on1 1839433243 AZONAASJEYDCOH-JOCHJYFZSA-N 479.917 2.246 10 20 JECD C[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CC=CCC1 1840881533 GEYANBJOZWENOS-HLZMXQRRSA-N 472.538 2.019 10 20 JECD O=C([C@@H]1CCCCN1Cc1ccccc1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250382 RSVMWZXCZSJBPY-FQEVSTJZSA-N 450.539 2.365 10 20 JECD O=C(/C=C/c1ccc(O)cc1Cl)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055172 JVTLCXCBGGMWLM-HWKANZROSA-N 465.984 2.123 10 20 JECD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 748471573 SKCQSCIDFUGOLW-NRFANRHFSA-N 491.592 2.188 10 20 JECD C[C@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)NC[C@@H]1CCCO1 789056123 WKKWWRQNJNFHJJ-STQMWFEESA-N 452.419 2.211 10 20 JECD C[C@@H](OC(=O)c1cc(S(N)(=O)=O)ccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 918012586 ZFFSQTGOQGNOGP-GFCCVEGCSA-N 496.472 2.433 10 20 JECD CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 918138745 RENWPLCWWKVJNP-HXUWFJFHSA-N 481.615 2.379 10 20 JECD CCN(CC)S(=O)(=O)c1cc(N/C=C2\C(=O)NC(=S)N(CC(C)C)C2=O)ccc1C 920980435 NYFUCNFCSDRDNO-LFIBNONCSA-N 452.602 2.221 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccc(N2CCNC2=O)c1 1115884490 BQSFDYVVMQHMGG-UHFFFAOYSA-N 475.528 2.402 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009664 YMFVOMCVYCQGRD-JLCFBVMHSA-N 461.902 2.057 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCO[C@]2(CCN(C(=O)C34CC(C3)C4)C2)C1 1784830920 AOABIMDUTCELKH-QGUBKTENSA-N 498.624 2.335 10 20 JECD O=C(NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2)c1ccccc1 1785332207 WYQTZQOSFZVEMB-XMMPIXPASA-N 487.940 2.015 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cc(F)ccc1F)CCO2 1785507496 QDTNDVIDCLRCRZ-GTYDBAGRSA-N 460.433 2.239 10 20 JECD CN(C)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785510068 LVHNRISSQFQLSD-GZKVFJCDSA-N 467.522 2.026 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)C(=O)c3ccco3)cc2)CCC1 1786755641 YUWAFEHKJPGAGJ-UHFFFAOYSA-N 457.533 2.457 10 20 JECD CC[C@H](NC(N)=O)C(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1788540600 BIKOGLWWDXEGSI-IBGZPJMESA-N 476.537 2.360 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796935422 HVQMDHPZECBXDI-XEYPJELSSA-N 461.522 2.280 10 20 JECD O=C(CCc1ccccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1801531008 ZHZBSAMRGTUSFA-MZQSNBHTSA-N 470.497 2.178 10 20 JECD COc1ccc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=C/c3ccc(O)c(O)c3O)[nH]c2c1 1802079482 CKFKYVWAGBHJEA-MXBFMXEXSA-N 493.516 2.210 10 20 JECD CC(C)[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S)c1ccc(F)cc1 1802106730 NGCIIFLQFGTJKO-GQSCTRQFSA-N 493.626 2.015 10 20 JECD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1803263114 ULTKZGQAHIBEMD-ZZMYJAJDSA-N 479.449 2.422 10 20 JECD Cc1nn(C)cc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1803826260 ZCWSYUIHSUXPRK-YADARESESA-N 485.548 2.236 10 20 JECD CN(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccccc1Cl 1804335925 GIUGXPBXSGBRGV-YYQBIWNASA-N 495.070 2.441 10 20 JECD CN(C)c1ncc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)o1 1805345632 HPNCHOLLFHGEDW-QSUDOZCYSA-N 493.520 2.285 10 20 JECD O=C(CN1CCCC1=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1806924558 UJJLYDZNVZPRTD-YCRPNKLZSA-N 472.929 2.088 10 20 JECD C[C@H](Nc1nccs1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807992425 ADPACYPPFXDMLN-ZBQZNYHESA-N 468.539 2.165 10 20 JECD Cc1noc(C)c1CC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807993207 GHSLXLMBBUUKHM-KSFYIVLOSA-N 451.483 2.055 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnc3ccccc3n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995173 DMMPOKLGQVIQTN-WAIKUNEKSA-N 470.489 2.464 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3cnccc3n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996454 SWKDYUJMNVSHMH-GAJHUEQPSA-N 470.489 2.464 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807997870 GCMOZFSTBXRBMF-LBUQITIBSA-N 463.494 2.070 10 20 JECD COc1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] 1808000444 IPYHRHZIBVQTHT-OPAMFIHVSA-N 493.476 2.438 10 20 JECD N[C@@H](Cc1cccnc1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1808365533 PLBQESIGIXFPEX-PIPMEXSNSA-N 495.967 2.431 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C(=O)c2ccco2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808465215 RMPFITAUXJDVPJ-MBSDFSHPSA-N 485.500 2.356 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3c[nH]c4cnccc34)sc2C1)c1cc(O)nc(O)c1 1819409649 CKJUEICOBSTDRO-LLVKDONJSA-N 450.480 2.365 10 20 JECD Cc1nnc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)o1 1827115423 FLCMRAALJFRZMB-IWHGQQBYSA-N 470.526 2.370 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1noc3c1CCCC3)CC2 1828242925 WNONOMCDUFCZOA-SNVBAGLBSA-N 491.620 2.096 10 20 JECD C/C(=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)C(=O)O 1832818573 ZJBMTUKCPIDURK-SBCUQWKCSA-N 466.538 2.430 10 20 JECD Cc1nn[nH]c1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838002241 LTBHXIGHQVTPOA-UHFFFAOYSA-N 463.922 2.104 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3cc(F)cc(F)c3)CC2)CC1 1838606257 QDHZOVBXNRBJHC-UHFFFAOYSA-N 497.589 2.437 10 20 JECD CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2F)[C@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846185340 USAKCBIBYARKQW-UEABVUSTSA-N 490.532 2.046 10 20 JECD COC(=O)c1ccc(OCC(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1847147710 CNANKJSBPQUXIH-UHFFFAOYSA-N 474.897 2.434 10 20 JECD CC(C)(C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)n1cc([N+](=O)[O-])cn1 726664527 UOBOFUIPBOGLAL-UHFFFAOYSA-N 462.418 2.484 10 20 JECD COc1cccc(N2CC[C@@H](NC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)C2)c1 728220303 KLYJPDBXSWZTMH-WOJBJXKFSA-N 451.571 2.475 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCC(=O)Nc3ccc(F)c(F)c3)CC2)cc1 915895288 YCGGHDWHAXPBAJ-UHFFFAOYSA-N 461.513 2.423 10 20 JECD COC(=O)CNC(=O)c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)c([N+](=O)[O-])c1 917085501 OZWSWNXPIMOUGO-UHFFFAOYSA-N 456.499 2.318 10 20 JECD O=C(Nc1nncs1)C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 918221004 PXZZLHGAWGIAPG-UHFFFAOYSA-N 462.551 2.199 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)cc2F)C[C@@H](C)O1 918222367 VRRDLGBRVNKJLN-WOJBJXKFSA-N 475.609 2.279 10 20 JECD C[C@@H](NC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccc(N2CCOCC2)cc1 920920554 IIBYQANGTLSJON-GOSISDBHSA-N 466.538 2.481 10 20 JECD CCNc1ccc(S(=O)(=O)N(CC)CC)cc1N/C=C1\C(=O)NC(=S)N(CC(C)C)C1=O 920979045 RRCPXTOFWFCIKA-FOWTUZBSSA-N 481.644 2.344 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@H](c3cccc(F)c3)N3CCOCC3)cc2)C1 921199580 MARMEBNNLZOPDE-XUZZJYLKSA-N 483.588 2.400 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4nccnc4c3)C2)C1 1777980547 QOECNPQXHZJIEF-QHCPKHFHSA-N 468.897 2.452 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cnc[nH]1)C2)c1cc(O)c(O)c(Cl)c1 1781119222 CQYLRNFFBNGPDN-XMSQKQJNSA-N 462.934 2.235 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1782007028 GYAVLNWRCUXREN-HSZRJFAPSA-N 483.912 2.089 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)n[nH]1 1783221901 RJIDOEBLQUOZDJ-OOSRFHLNSA-N 484.553 2.491 10 20 JECD CCOc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1O 1785510313 VHRXPXUVIGZODN-PMDNVAFQSA-N 484.505 2.065 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 1792908989 XFOMEHLVXFRVTP-CWQOZTLDSA-N 461.584 2.428 10 20 JECD C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)NC(=O)OC(C)(C)C 1796389827 SDNXTYXLNZXLGS-NFWAQSGPSA-N 497.976 2.258 10 20 JECD Cc1cccc(F)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1801659890 ILWMYRDESABHHM-GPVSGQMNSA-N 464.497 2.130 10 20 JECD COc1ccc([C@@H]2C[C@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1 1802078793 HZYKBGMPDPUAJF-AEHOFQLLSA-N 494.544 2.219 10 20 JECD Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1 1802079223 ZJXILKARXSOLPP-BGAHBZOSSA-N 466.534 2.347 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1C[C@@H]3CC[C@H]1C3)C2 1802079320 AULAHWOSWSNGTD-LQNGBDOHSA-N 456.539 2.233 10 20 JECD CC(C)(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CSC2=S)s1 1802103965 JHCDILVGZFFOKJ-IVWMJMPLSA-N 481.665 2.109 10 20 JECD O=C(Cc1cccnc1Cl)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804360527 FWPMIAZRAVRFLL-KKSFZXQISA-N 467.913 2.499 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccc2[nH]ncc12 1808031894 PZDDFNDSPUQHDT-OYHNWAKOSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc(O)c(F)c1 1810986736 IDLIIMCQTYGMND-FOIQADDNSA-N 488.566 2.106 10 20 JECD Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n[nH]1 1817361874 KDESWXAHPBFFPX-AWEZNQCLSA-N 477.550 2.122 10 20 JECD COc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)c([N+](=O)[O-])cc1O 1820222103 GUSRVUJBTWGPLC-CQSZACIVSA-N 498.452 2.458 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)CN2CCCC2)CC1 1823795855 HEDOBNOTKRMCSD-QHCPKHFHSA-N 465.598 2.495 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)CC1 1828451511 IXUJZLGQFKMDOH-GFCCVEGCSA-N 489.554 2.232 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(O)[nH]2)CC1 1829339183 BTORCDLMFFYYKK-FQEVSTJZSA-N 464.526 2.142 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc4cc(O)ccc4n3)CC2)CC1)c1cc(O)nc(O)c1 1834987065 CNOLMRSOICIJMH-UHFFFAOYSA-N 491.548 2.246 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC4(O)CCC4)C3)C2)cc1 1839349510 YVRICYRKYQVGKL-HHHXNRCGSA-N 481.593 2.469 10 20 JECD CC(C)Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)cc1 1839404901 XIBOFPNABQPFIM-VWLOTQADSA-N 469.538 2.075 10 20 JECD O=C(COC(=O)CNS(=O)(=O)c1cccc(F)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 11306230 WAFWRAUZBLFAOK-UHFFFAOYSA-N 496.472 2.061 10 20 JECD Cc1cc(S(=O)(=O)N2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)c(C)s1 115985555 UDACKYQKGWJKRO-UHFFFAOYSA-N 450.630 2.054 10 20 JECD CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726601345 PXVYMASXZFJYJT-UHFFFAOYSA-N 489.566 2.486 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCCC1 727138920 ANLCFHRKUCYIJH-UHFFFAOYSA-N 451.589 2.375 10 20 JECD Cc1cccc(N2C(=O)N[C@H](CCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)C2=O)c1 730749852 VNYFEIKGFUAKGK-HXUWFJFHSA-N 454.502 2.492 10 20 JECD Cc1nc(-c2cccnc2)nc(O)c1CCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 751343619 ABJKVJVEGOSBON-UHFFFAOYSA-N 481.578 2.036 10 20 JECD O=C(CN1CCOCC1)N1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 839394653 OXXOPSWUEPMLMG-HSZRJFAPSA-N 490.564 2.210 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(-n4ccnc4)nc3)cc2F)C[C@@H](C)O1 918285960 CIONOELZEXGWHF-IYBDPMFKSA-N 452.490 2.275 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc12 919042838 ROGKAGRXXAJWAF-UHFFFAOYSA-N 479.898 2.315 10 20 JECD COc1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc(C(=O)O)c1OC 920866031 UDXRSIBLZICFNO-CQSZACIVSA-N 450.513 2.278 10 20 JECD CC(C)CN1C(=O)/C(=C/Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)NC1=S 920974396 KGTUFGDHERUGAX-NTEUORMPSA-N 465.582 2.139 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)=Cc2ccccc2N1 1777850832 JZPBQIAWGXURAD-FQRUVTKNSA-N 492.532 2.046 10 20 JECD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(O)c1 1780552624 HNYJNYSHVIAAHP-QFIPXVFZSA-N 462.886 2.223 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cc(Cl)c(O)cc1O)CCO2 1785510004 KTFJRJYAVXWQOZ-KFVKGYIZSA-N 490.896 2.025 10 20 JECD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)s1 1796480453 HZVOLAWUHIUJMT-VPTLXERWSA-N 452.536 2.053 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc[nH]c3c1)C2)c1cc(O)c(O)c(Cl)c1 1799769512 TZYAHZVPVAWORH-HBCWATKFSA-N 456.886 2.145 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2nccnc2c1 1809378608 PWYCOFMUBTWETQ-UZUQRXQVSA-N 470.489 2.464 10 20 JECD N[C@@H](Cc1cccnc1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811804627 ZFXNBRPKDBGWMT-XJABCFGWSA-N 495.967 2.431 10 20 JECD C[C@H](Cn1cncn1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811806301 JYRLRMQVVDILJL-KKVAFCGZSA-N 484.944 2.394 10 20 JECD CC(=O)c1cc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n[nH]1 1814162422 JULIVMFSNBLGIO-NGOAQKHGSA-N 491.504 2.157 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1827695997 IYBBVGFPBXFHDO-RSJNPKLMSA-N 473.570 2.303 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716804 WTAUZSMIGVHFPF-FDDCHVKYSA-N 481.597 2.266 10 20 JECD CCn1nc(C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902397 LEWWXSVPEUYXGY-KRWDZBQOSA-N 477.656 2.305 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn(C)c2)CCO3)cc1 1834174177 ULUQHYOKRJTKCU-AREMUKBSSA-N 477.565 2.211 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCC(F)(F)C3)CC2)CC1)c1cc(O)nc(O)c1 1834985173 CDIGLKFETVLTNB-CQSZACIVSA-N 452.502 2.113 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C[C@@H]3OCCc4ccccc43)CC2)CC1)c1cc(O)nc(O)c1 1834985908 PCAJBRRPWHYCAG-QHCPKHFHSA-N 494.592 2.382 10 20 JECD CO/C=C(\C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1835664002 JQJVUKJOJFBLAX-BUHFOSPRSA-N 451.951 2.487 10 20 JECD Cc1cccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1840879928 NAHFXUFTPJORQG-ACMAXOTASA-N 496.560 2.214 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)CC[C@H]2CNc3ccccc3C2)C1 1842958417 QXYYYEFGTDHKNS-MRXNPFEDSA-N 472.636 2.115 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)CCN1CCCC1)C2 1843331584 MGJFCTBDRUUISP-JOCHJYFZSA-N 499.656 2.394 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1843950191 OOYMFZALRHCJPH-QGZVFWFLSA-N 474.558 2.490 10 20 JECD COc1cc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc(O)c(O)c2O)ccn1 1848111520 TXCDPDSUNNWMNO-LETPOXDLSA-N 453.495 2.055 10 20 JECD CCOc1cccc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)c1OC(F)F 727176558 MMGBTJGWCMNCRJ-XFXZXTDPSA-N 452.526 2.437 10 20 JECD Cc1ccnc(NC(=O)CN(C)CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 727831344 WWLKFOCRDIRJRH-QZTJIDSGSA-N 457.550 2.329 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@H]3CC(=O)N(Cc4ccc(C)cc4)C3)CC2)cc1 742917408 WMWXQMCBQGPWTL-QFIPXVFZSA-N 450.583 2.291 10 20 JECD COc1ccc(N2CCCN(S(=O)(=O)c3ccc(N4C[C@H](C(=O)O)CC4=O)cc3)CC2)cc1 917759317 NGVSSCPHYWOHGL-QGZVFWFLSA-N 473.551 2.034 10 20 JECD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)C2=O 917832084 IPCJTPQXQVVVDN-QKSGUBBWSA-N 483.613 2.141 10 20 JECD Cc1c(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 917834824 QUPDRLMROCUJFM-QGZVFWFLSA-N 463.498 2.116 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 918224986 YJUKUJLFBPYDPJ-UHFFFAOYSA-N 477.518 2.300 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 918337426 JVQOGYWPAJFFAD-QFIPXVFZSA-N 469.607 2.019 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)CC(C)(C)C)cc2F)C[C@@H](C)O1 919730880 COPDVWLTXDPRKV-IYBDPMFKSA-N 451.539 2.151 10 20 JECD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCc1ccc(N2CCOCC2)cc1 919767011 INQWATVGIQRURD-UHFFFAOYSA-N 489.594 2.059 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NCc1nnc2n1CCCCC2 919782714 NBDRVVJTTHELAC-UHFFFAOYSA-N 479.564 2.260 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(N2CCS(=O)(=O)CC2)c1 919910389 AUGQVOVOZRWBHR-UHFFFAOYSA-N 472.611 2.452 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)N3CCN(c4nnc(C)c(C)c4C(N)=O)CC3)ccc21 1318277820 AJJAGOKZDWQIIM-UHFFFAOYSA-N 464.570 2.373 10 20 JECD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)ccc1F 1781678591 OSLGVRXCSWGHNS-PTGVWUEVSA-N 456.470 2.408 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009079 QQAXMVDWWVFFRU-DMZKTXOQSA-N 483.949 2.108 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@@]3(C2)CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)CCO3)c(C)n1 1784294911 UNXDJZYDNMOECT-HHHXNRCGSA-N 489.576 2.254 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cnc(Cl)s1)CCO2 1785507775 VWIDJABXCSDTOE-ZFDYTMOGSA-N 465.915 2.070 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CCO2 1785510258 IXXRHSXKUSAMMQ-FCGYBERRSA-N 464.518 2.450 10 20 JECD CC(C)(C)c1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cn1 1787788049 HXDPMXOBYXJIQA-SBTJSFKZSA-N 496.564 2.198 10 20 JECD C[C@@H](Nc1cnccn1)C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1789539219 ANZLOHUZPDZHMR-CQSZACIVSA-N 484.607 2.271 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csc4c3CCCC4)C[C@@H]21 1792239126 MGSGBGNQOOQCOH-QRTARXTBSA-N 493.676 2.081 10 20 JECD COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1793364501 GTFSDILKXKXVGI-IRJINJETSA-N 485.606 2.204 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccc(Cl)cc3[nH]1)C2)c1cc(O)nc(O)c1 1796137188 YUJIEEANCDLKMQ-VTEUUUEMSA-N 456.886 2.145 10 20 JECD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)N1CSCSC1 1804285644 FDCHSAIQIQCOQE-INONVRRSSA-N 479.624 2.498 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)[C@@H]1Cc2ccccc2O1 1804286171 NJPZKJOHKGDXJH-JIKJNHBQSA-N 450.491 2.459 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cc(=O)cco1 1806131123 DIAHFYDTWRSHLI-YEUXVMMMSA-N 477.473 2.185 10 20 JECD Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1806605862 IFKQKVIVSPKUBK-AUSIDOKSSA-N 482.631 2.499 10 20 JECD CCn1nc(C)cc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807992599 DFLUEPHIPGGSKO-HRAATJIYSA-N 450.499 2.046 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807998597 MWJUVTHKEXQMQC-LBUQITIBSA-N 463.494 2.070 10 20 JECD CCC1(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)COC1 1812488365 ABWXFQWYOZLGIN-AUSIDOKSSA-N 475.549 2.307 10 20 JECD O=C(/C=C/c1cnccn1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813484166 FSVTZNMNZHBRQR-DBIIFKSOSA-N 495.543 2.384 10 20 JECD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1814189820 ZTNCFMPIZZTZCT-RDTXWAMCSA-N 475.621 2.026 10 20 JECD Cn1ccc(=O)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1820167865 WMZCGARMYQGITC-HXUWFJFHSA-N 487.520 2.207 10 20 JECD COc1ccsc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1820995218 CSDXWCISVSYSFW-SECBINFHSA-N 482.634 2.299 10 20 JECD Cc1ccc(C(=O)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cc1 1823499652 RRBLXAGPEAGWTI-MRXNPFEDSA-N 485.591 2.453 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccnn23)[nH]n1 1823499771 XGKRBUMIFVEGOA-OAHLLOKOSA-N 483.579 2.224 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2)c1ccccn1 1827075672 KLCOBIIFENDXTN-NEPJUHHUSA-N 475.621 2.114 10 20 JECD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429013 NHRNXKMLARBFMN-ZCNNSNEGSA-N 471.554 2.482 10 20 JECD COc1nc(C)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1829414605 DQAWXXCJTFHXQX-SFHVURJKSA-N 490.651 2.492 10 20 JECD COC(=O)C1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1831461797 DNJAWYFBAGEPAW-JHTBKMLMSA-N 472.538 2.390 10 20 JECD CCOc1ccsc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833021003 GTCUTPMEJVTXOQ-UHFFFAOYSA-N 474.583 2.452 10 20 JECD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)c1ccc(O)cc1 1839170864 CCKIAHJFKRSHNK-MYYSRTQBSA-N 490.940 2.331 10 20 JECD COc1cc(C)ccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839435332 HFXZZQVEAORPOI-DEOSSOPVSA-N 490.940 2.452 10 20 JECD Cc1ccc(C)c(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1839936733 PXCGUAIVSGNIIW-PMHUYKBPSA-N 496.560 2.133 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cc(Br)cc3[nH]ncc23)C1 1844100088 ZHZKALLQEMHYOL-UHFFFAOYSA-N 472.299 2.262 10 20 JECD O=C(c1ccc(Cl)nc1Cl)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056446 NVJLJPWZVSDOQY-UHFFFAOYSA-N 459.380 2.066 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)CC2)cc1 726247926 LCBAURCDYBCYHF-IBGZPJMESA-N 461.607 2.373 10 20 JECD CS(=O)(=O)NCCN1C(=O)/C(=C\c2csc(COc3ccccc3)n2)SC1=S 727175868 BQISHACYSXYTCO-NTEUORMPSA-N 455.608 2.473 10 20 JECD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1 729047879 PIEOFRTVZQNTNY-HNNXBMFYSA-N 450.536 2.278 10 20 JECD COc1cccc(CNC(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)c1O 729552295 PPGRTODTWCUOOG-UHFFFAOYSA-N 476.537 2.404 10 20 JECD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 731131718 KZNOGORJVCRWHA-UHFFFAOYSA-N 466.538 2.081 10 20 JECD C[C@@H](NCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1ccccn1 777652322 KTWPXUREBYZRSP-AXLWCPOOSA-N 470.576 2.479 10 20 JECD C[C@H](OC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C(=O)N1CCC[C@H](C(N)=O)C1 913361805 RWGUCGODVYNLHA-LJLNYXAJSA-N 495.648 2.385 10 20 JECD Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 917833551 ALHLMVGZLBXORY-UUMRFZBWSA-N 463.517 2.137 10 20 JECD COc1cc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c(C(=O)N(C)C)cc1OC 918439781 NRYJMYZQWJXBFG-UHFFFAOYSA-N 486.594 2.214 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c3cccs3)cc2F)C[C@@H](C)O1 918633238 JEQJEVUFYRTMFR-RBSFLKMASA-N 455.577 2.484 10 20 JECD CO[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1)c1ccccc1 1777847486 BROGRMUJHPRGTE-UTSGNWPNSA-N 455.511 2.008 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cccc4ccnn34)C2)C1 1782228495 AGIPSUKDFTZCPP-QFIPXVFZSA-N 456.886 2.156 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc(Br)ccc1F 1783745922 MCHQPKNLGSNLOO-KCTSRDHCSA-N 494.317 2.302 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1csc3c1CCCO3)CCO2 1785508263 CYLWXUIUIZJFJA-WUQPGSQJSA-N 486.546 2.347 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cccc(F)c1F)CCO2 1785510322 VRGOLHFGFFVVAM-BVBLWJPBSA-N 460.433 2.239 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1788782603 WZKGYDBHJVZOJL-DFHZNHDVSA-N 474.945 2.240 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc(OCC2CC2)cc1F 1789978219 AGVZYCXGYAUJMZ-ZRCAFCQKSA-N 485.512 2.328 10 20 JECD C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1801172537 MRWAWHIBHSEWPV-MGPQRACWSA-N 474.561 2.248 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc(-n2cnnc2)cc1 1806993325 PNPSFVWQRSLDKO-FDDCHVKYSA-N 485.504 2.102 10 20 JECD CC(C)(C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808463750 FXUSTPWMPSCHIF-CDNPAEQRSA-N 477.565 2.287 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cc2cnccc2[nH]1 1809993522 OOLROLPVTJDLCT-VFNWGFHPSA-N 494.602 2.138 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cnccn2)[C@@H]1c1cccnc1 1814162283 IEGVULAXDPOANK-JEYNVIPUSA-N 461.478 2.021 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)N1C[C@H]2C[C@@H]2C1 1814164166 SMCFODCQDLYARS-GVMAQMTNSA-N 492.576 2.258 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1814993461 PMNKQNNQXHPAPQ-DGCLKSJQSA-N 454.512 2.071 10 20 JECD O=C(Cn1ccccc1=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1817515567 ABKFMBAICIHABE-FQEVSTJZSA-N 487.520 2.057 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1n[nH]c2c1CCCC2 1817873699 RBIMAJOTXUZGHN-INIZCTEOSA-N 451.487 2.438 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc4ncsc4[nH]3)sc2C1)c1cc(O)nc(O)c1 1820223349 IAYLXFHHHITAEV-SECBINFHSA-N 456.509 2.427 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@H]1CCc2nc[nH]c2C1 1822688272 JNHLFVIFWRUNNF-YVEFUNNKSA-N 451.487 2.050 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(O)cc2)[nH]n1 1823499969 HVMJYWGAPYIJJJ-OAHLLOKOSA-N 459.553 2.282 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccccn23)CC1 1828175192 CJNGTVTTWFCTHA-QGZVFWFLSA-N 485.635 2.428 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)CCN3CCCC3)sc2C1 1828406889 HUJNDSOWNDUMJH-LWUPOJRFSA-N 472.567 2.371 10 20 JECD CC(C)N[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)C(C)C 1832898174 DCZGNVYROXJHKF-NQIIRXRSSA-N 482.716 2.489 10 20 JECD COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c(OC)c1 1836238715 AQIXTQCALRORCO-UHFFFAOYSA-N 484.553 2.009 10 20 JECD O=C(c1cnc2cccc(Cl)c2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836419362 DSCKSOQCOSRIJH-XMMPIXPASA-N 498.923 2.078 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348728 ITUYRQRVUGUNQB-KDYSTLNUSA-N 496.608 2.079 10 20 JECD O=C(CCc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431972 ZKMFZQXJMNWIJG-XMMPIXPASA-N 474.941 2.454 10 20 JECD O=C(Cc1c(F)cccc1F)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433249 BLEUONMYZGLFRM-HSZRJFAPSA-N 496.894 2.342 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3ncccc13)CCO2 1839542847 GSFANKCPCWFJNU-XMMPIXPASA-N 498.923 2.078 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3cc(NS(C)(=O)=O)ccc3O)cc2F)C[C@@H](C)O1 115734826 BFHVINMYTXUKHL-OKILXGFUSA-N 451.520 2.446 10 20 JECD COC(=O)CCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S 206858178 XQVLOVMXJUZRIN-AQTBWJFISA-N 494.591 2.087 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)c4c(F)cccc4F)CC3)cc2)C1 727940555 JOGIXGQLQGFSTC-GOSISDBHSA-N 485.535 2.334 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)ccc21 728637538 NHDYARRVGFQQDK-AEFFLSMTSA-N 450.557 2.095 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)C(C)C)ccc21 728638059 IDNKILOVUDBQAT-GHTZIAJQSA-N 464.584 2.389 10 20 JECD COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(-n4cccn4)cc3)CC2)cc1 729782961 WDLJVELNVRBMLV-UHFFFAOYSA-N 454.552 2.145 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1F 731408461 MCLBQGHDIRYSRJ-UHFFFAOYSA-N 480.562 2.186 10 20 JECD NS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 825158296 UMSALSRLXHYAMI-UHFFFAOYSA-N 482.445 2.044 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(Cc4cccnc4)CC3)CC2)cc1 916196840 JETYJSSYYLDLFN-UHFFFAOYSA-N 452.603 2.130 10 20 JECD C[C@@H](Sc1nnnn1CCN(C)C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 916703177 ZUNNDQLDELQJBN-CYBMUJFWSA-N 450.524 2.129 10 20 JECD COCCn1c(-c2ccc(N3CCOCC3)cc2)nc2c1c(O)nc(=O)n2Cc1ccccc1 916857166 VUTBUWQIAPREDK-UHFFFAOYSA-N 461.522 2.497 10 20 JECD CSC[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 917708913 MVEWKGWNMKARAV-FUHIMQAGSA-N 463.575 2.185 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(CSc2nc[nH]n2)cc1 918339864 IYFRMCXXMXORKK-UHFFFAOYSA-N 457.581 2.262 10 20 JECD COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1OC 919878116 IIHLEGOHIIEPKQ-UHFFFAOYSA-N 479.511 2.116 10 20 JECD CC(=O)Nc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1Cl 920786344 JQSSOYXLWMMBIE-MRXNPFEDSA-N 471.945 2.255 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1CCCCO1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126935 SSTRYZPSCRQLSZ-RQNQAMLKSA-N 482.581 2.252 10 20 JECD Cc1nccn1[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127568 RHXDUWQSBYFTNY-QCIUDXLNSA-N 492.580 2.059 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccn2nccc2c1 1779165443 BPCDFOHGWUBKSK-MUIWDSRZSA-N 492.532 2.292 10 20 JECD CCOC(=O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781123435 PLJDRAFCSQIHLU-UZUQRXQVSA-N 482.961 2.468 10 20 JECD CC(=O)NCCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781755443 MYLCOCPLBHKWOL-RUZDIDTESA-N 452.555 2.064 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnc(Cl)n1)C2 1783221836 MRMANWHUAVPUQH-FKSJFJBLSA-N 488.928 2.088 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783496786 ZXDDZGXFORBEDL-YBEMNCNDSA-N 497.935 2.105 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cnc(Cl)s1 1789005422 BJCAFVUDIVAUPZ-CAVCPOLISA-N 479.942 2.220 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cccc2ccnn12 1790344257 DFYRQLXZSFUOBU-RISOHXOYSA-N 470.913 2.306 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1ccc(C2(NC(=O)CCN3C(=O)C=CC3=O)CCC2)cc1 1792300123 WKYDILSNJJOUFA-YCRREMRBSA-N 491.500 2.266 10 20 JECD COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1O 1792804784 WILQYVKSEICIEE-FNLKRUPLSA-N 476.533 2.374 10 20 JECD Cn1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc2ccccc21 1796771455 VEYWZVQXBHQSOV-RZMQENIISA-N 477.517 2.212 10 20 JECD Cc1cc(F)cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1801085565 XHTVYOCAJIHPHS-LQVARWHBSA-N 470.497 2.096 10 20 JECD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1Cl 1802082707 ZYCCZXDQAWWLKZ-CPVVTZALSA-N 488.924 2.382 10 20 JECD CC(C)N(C)CC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808469369 LWWHKZYQOZCXBI-CJFMBICVSA-N 476.581 2.221 10 20 JECD Cc1nccn1CC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1812409285 OVASJQUECXMXLS-JSBPENQTSA-N 477.521 2.123 10 20 JECD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)no1 1813332228 PKRYJCDZIBOSLF-DFBJGRDBSA-N 486.532 2.419 10 20 JECD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1815822812 DMSBUZPYNJSCGB-BIENSFFJSA-N 497.468 2.037 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2nccn2c1 1818537457 CYYRQLWMXRQRAC-CYBMUJFWSA-N 450.480 2.137 10 20 JECD CN(CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)C(=O)c1ccccc1 1824383092 RQIRRJWUJIAMGM-NRFANRHFSA-N 480.565 2.498 10 20 JECD CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1824789496 IRKOCJUECPCEHO-GOTSBHOMSA-N 465.598 2.493 10 20 JECD O=C(CN1CCCC1=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715319 KZXUXYLDGGZWIE-QFIPXVFZSA-N 479.581 2.021 10 20 JECD COc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc1 1828242548 MIAISVCVBSFRCR-CYBMUJFWSA-N 490.632 2.167 10 20 JECD COC(=O)c1ccc(OCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)cc1 1828463356 CGWYMZIDNRTAFK-CQSZACIVSA-N 498.517 2.041 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902166 ZJVQCWCAWKKOBQ-AEFFLSMTSA-N 489.667 2.362 10 20 JECD CC(=O)NCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833546156 KXIVAHTYHJEUGU-UHFFFAOYSA-N 495.020 2.099 10 20 JECD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)nc1C 1833693546 NQZLFEBVWHHGRN-QHCPKHFHSA-N 475.929 2.147 10 20 JECD Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835152693 JFCKISYOGBNOKM-XMMPIXPASA-N 490.940 2.209 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)[C@H]3CCCOC3)CC2)CC1 1838824759 KADNFQWUBMTWJC-JXTAAOLFSA-N 474.554 2.242 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)[C@H]2CCCN(Cc3ccccc3)C2)C1 1841840592 CTNUKSWZJYQRAY-IBGZPJMESA-N 450.539 2.222 10 20 JECD Cc1cc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)c(C(F)(F)F)o1 1842459779 ZUJKYWKFRRZBTK-UHFFFAOYSA-N 461.487 2.284 10 20 JECD O=C(COc1ccc(Cl)c(Cl)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056420 DJBHKESUFDQUIP-UHFFFAOYSA-N 488.418 2.436 10 20 JECD CN1CCCc2cc(CNS(=O)(=O)c3ccc(S(=O)(=O)NCC(F)(F)F)cc3)ccc21 725830501 DNRQSISOTFKMDW-UHFFFAOYSA-N 477.530 2.388 10 20 JECD CCOC(=O)c1ccc(NC(=S)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 727978854 CZCSGYPQZNQGHY-UHFFFAOYSA-N 477.612 2.113 10 20 JECD O=C(CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NC1CCCCC1 746725007 WSEJMFDDZQTTLI-UHFFFAOYSA-N 469.565 2.190 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(CS(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1 746989504 JRZHJJKHVPWNCJ-IYBDPMFKSA-N 477.558 2.239 10 20 JECD O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 748461061 OLPHDMWKQFTGNL-UHFFFAOYSA-N 483.588 2.325 10 20 JECD CSc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@H](CCS(C)(=O)=O)C3=O)c2C)c1 757916385 SATBXIKRWJKWHA-SFHVURJKSA-N 463.581 2.354 10 20 JECD C[C@@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)N1CCC(C(N)=O)CC1 823026849 BJZCPFKICHELSW-GFCCVEGCSA-N 468.893 2.385 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCCN(C(=O)c4ccccc4F)CC3)CC2)cc1 913148360 RLCGTNFUHZIXBU-UHFFFAOYSA-N 454.546 2.331 10 20 JECD CCN(CC)c1ccc(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 916503048 ORXQMNKWKLHUTJ-UHFFFAOYSA-N 486.638 2.462 10 20 JECD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)C[C@@H](C)O1 917707392 CNYFQTIUBLWNBN-QZTJIDSGSA-N 491.585 2.390 10 20 JECD Cc1cccc(NC(=O)CSCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 918335503 NHZIPVUUUJREGY-UHFFFAOYSA-N 461.609 2.218 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H](CC(C)C)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)nc12 918807587 IHBFXXXFBLLAAA-JZXOWHBKSA-N 484.509 2.021 10 20 JECD CN(C)C(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Cl 920192065 DKQCCTDGTXUWDQ-UHFFFAOYSA-N 476.936 2.397 10 20 JECD CCCNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2ccccc2O1 920923501 RFPOTMYQNWDHHV-FDDCHVKYSA-N 480.565 2.021 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nccnc4c3)C2)C1 1777980543 QOECNPQXHZJIEF-HSZRJFAPSA-N 468.897 2.452 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncoc4c3)C2)C1 1778005982 DZUOLKFOLRDFPW-RUZDIDTESA-N 473.489 2.064 10 20 JECD O=C1Cc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)ccc2N1 1778393210 PKXKBKXHAXXHDS-HSZRJFAPSA-N 471.897 2.003 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3cc4sccc4s3)C2)C1 1778461961 URSGCYFTDASOHF-IBGZPJMESA-N 481.646 2.267 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)C1 1780300524 SXPUFPILPWCNSF-QHCPKHFHSA-N 483.912 2.294 10 20 JECD O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1782982584 UAKWZDZRAHMGMN-OAQYLSRUSA-N 465.428 2.198 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1783325044 RVEDUJOCCIEODX-DVMGJAEMSA-N 468.506 2.114 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)CCc3c[nH]c4ncccc34)C2)C1 1785497497 SSTYJRQUPSXNSM-KCROQMHPSA-N 492.532 2.156 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(F)(F)C(F)(F)C(=O)O)c1cc(O)c(O)c(Cl)c1 1793977401 RLOBQUZPZVVQDK-ILWJIGKKSA-N 468.787 2.358 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc[nH]1)C2 1796750215 RBPVELCSEYYJAK-IYWMVGAKSA-N 482.585 2.380 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)cn1)C2)c1cc(O)c(O)c(Cl)c1 1799769200 CCSQFFBFXDRVHH-DPIQGUFMSA-N 496.745 2.426 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1nc2ccccc2o1 1799908396 OZIYMZSPIXJFBG-IVWMJMPLSA-N 457.870 2.409 10 20 JECD CSc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1801180120 TUWOLJPYFRFFAO-MYBSFJDWSA-N 484.574 2.371 10 20 JECD CCC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1801624655 KKDSRVFWRWQAFQ-XMTFNYHQSA-N 489.569 2.151 10 20 JECD CC(C)(C)NCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1807101815 VHVPWNGGWSBQPE-AVUHJFIJSA-N 468.554 2.306 10 20 JECD CC(=O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808464679 NVGGOHXALSROPH-AUSIDOKSSA-N 475.549 2.496 10 20 JECD Cc1nccc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n1 1808467703 JLTDGCUWYRKGRF-YADARESESA-N 483.532 2.293 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CC2(O)CCC2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469339 LTVMKBLLNAAAEH-DVECYGJZSA-N 475.549 2.185 10 20 JECD O=C(CCc1cnccn1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813447430 FMBUBSNIBVIHHM-YFQVKYPKSA-N 489.532 2.340 10 20 JECD CCOC(=O)/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146589 RKYCLJRCIKJAMR-CVTTXWKISA-N 478.509 2.314 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccn(C(F)F)n1 1819828033 QDVCYWCFVLTCRQ-LBPRGKRZSA-N 483.526 2.168 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cncc(O)c3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1825721967 GRMGCKUZLDZUGX-CQSZACIVSA-N 476.518 2.262 10 20 JECD Cc1cnc2c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)cnn2c1 1828596244 AAHASQBHJMJINS-IBGZPJMESA-N 464.526 2.391 10 20 JECD CCNC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1828872520 QFYBYMJQSYYJBS-AVRDEDQJSA-N 496.612 2.107 10 20 JECD O=C(Cc1ccccc1O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900991 ZHQSYPDJFLGHIJ-GOSISDBHSA-N 475.636 2.415 10 20 JECD Cc1cccc(CC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834988195 SQMJJXIXRHVSSB-UHFFFAOYSA-N 452.555 2.229 10 20 JECD Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)on1 1837095058 JPLOVFCDIJMKAM-HWKANZROSA-N 485.537 2.354 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cccc3c2OCCO3)C1 1843721142 OKHZUBRYGCEQHR-UHFFFAOYSA-N 460.490 2.068 10 20 JECD Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C2)n[nH]1 1844251679 QJEJMPPFYLCIHE-QGZVFWFLSA-N 499.568 2.082 10 20 JECD CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(C)c(O)c2O)sc(C(=O)NC)c1C 110003559 KHGYHLJSDGSUTH-UHFFFAOYSA-N 450.469 2.108 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 917707624 QUXUYASLHIREFC-IBGZPJMESA-N 461.559 2.379 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)CC)cc2)cc1 917752778 CXQLLJNXIXGWCW-UHFFFAOYSA-N 475.614 2.280 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 919969132 GBOICWCXTFZCIJ-FQEVSTJZSA-N 491.585 2.174 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3ccsc3[nH]1)C2)c1cc(O)nc(O)c1 1777852866 XZLYKFCKWNBQIV-OPAMFIHVSA-N 456.524 2.477 10 20 JECD CCOC(=O)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)ccn1 1782007011 GANINONAHRMDBN-QHCPKHFHSA-N 489.912 2.080 10 20 JECD O=C(c1ccc(CO)c(F)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007673 MGUVABTWQSMHOU-JOCHJYFZSA-N 464.877 2.140 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cc4ccoc4cn3)C2)C1 1782193722 CUYDANLTDBFFPP-UQPVFDRXSA-N 465.462 2.102 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@@H]1CCc2nc[nH]c2C1 1782458272 JFQRMAHCVDHRLS-UHXKVLTISA-N 488.972 2.407 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(F)c(F)c(Cl)c3)C2)C1 1785172051 YFVTTXTZQPTKAW-FQEVSTJZSA-N 453.829 2.182 10 20 JECD Cc1nc2sccn2c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1788440980 YSXOROHUPJSXJX-HTERZNMPSA-N 498.561 2.128 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccc(O)c([N+](=O)[O-])c1 1790023531 NMLXYLPFHLTURP-PJFSTRORSA-N 491.884 2.272 10 20 JECD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc1 1796481152 PWLDKFACMGYMMT-VSVJTWGKSA-N 474.561 2.310 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(Cl)cc2nn1 1796684985 FQEDJDUTPORBQO-QDMKHBRRSA-N 490.010 2.395 10 20 JECD CCSc1cccnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1799513694 YXRIMTFDGIBBED-BTTYYORXSA-N 464.638 2.306 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ncccn2)C3)cc1 1799619836 FKNAXKCEVHHVJK-GQEURGSBSA-N 459.550 2.330 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccc2ccncc12 1799914323 NKHPWNVPVWVUDC-PGTXOHQNSA-N 475.501 2.268 10 20 JECD CNc1nsnc1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1802477107 NHMDWFYTAYEUAF-RDUOXDFISA-N 496.549 2.125 10 20 JECD O=C(/C=C/C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)NCc1ccccc1 1804283323 RBICNCWUJGMQCF-ATAXGIMPSA-N 491.544 2.327 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)no1 1805832804 OIWZCQPPWREYAI-FDDCHVKYSA-N 472.505 2.491 10 20 JECD Cc1nn[nH]c1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1807808148 RTJRTFVHXIDGDJ-FZKQIMNGSA-N 456.890 2.206 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n[nH]1 1807993921 AGTDKKTVELAMIF-QVKFZJNVSA-N 450.499 2.368 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CNc2ccc(F)cc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995446 YWSYLNKLZBMHFJ-HJPURHCSSA-N 465.485 2.459 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc3ccnn23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998258 BZYMDVIMZOMQRH-OPAMFIHVSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808467439 GWASKFZCHJKLEJ-AAIMPIBUSA-N 461.522 2.059 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)no1 1808468847 ZXCSFDMBTUWYGW-MBSDFSHPSA-N 472.505 2.491 10 20 JECD Nc1ncc(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)s1 1809905896 SUPUASJSDZWJGS-HWKANZROSA-N 458.540 2.400 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)[C@@H]1CCCOC1 1814155933 WJJDLWMAFDJIBS-ROKPMTFOSA-N 475.549 2.307 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cccc3c[nH]nc23)[C@H]1c1cccnc1 1814189638 UYRMFVPRXHQAFB-IERDGZPVSA-N 494.602 2.138 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cc3ccoc3cn2)[C@H]1c1cccnc1 1814190304 WIHNGAXCFJRYBZ-IERDGZPVSA-N 495.586 2.403 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728770 VAYOVTPEXAWSCH-AAEUAGOBSA-N 455.496 2.038 10 20 JECD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)n1cccc1C=O 1817844585 FMUUJUJOJSDTKG-GUYCJALGSA-N 452.471 2.397 10 20 JECD C=CC(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1819585251 VJPSYJKNDCZQEO-ABAIWWIYSA-N 461.906 2.471 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)CC1CCCC1)CC2 1828242596 OAWJLJFQLBOVAO-GFCCVEGCSA-N 452.627 2.496 10 20 JECD CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)CCCC1 1829972441 OAQKSQGREFOICU-QFIPXVFZSA-N 452.935 2.402 10 20 JECD Nc1ccccc1/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835779891 TUUZPYHAHLMYTQ-ZFTMLNQLSA-N 487.940 2.117 10 20 JECD CC[C@H](C)[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1)c1ccccc1 1836418028 VOWCTTVEUAPIOX-YPAAYVHUSA-N 483.565 2.393 10 20 JECD O=C(Cc1cnccn1)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1836775207 IMWAFZBGJPAHBW-UHFFFAOYSA-N 474.945 2.396 10 20 JECD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)n1ccnn1 1838687955 UHXZWKREGVIATB-AWEZNQCLSA-N 477.949 2.216 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cncc4cnccc34)C2)C1 1839433939 YQPBAZKEZULANP-XMMPIXPASA-N 498.923 2.078 10 20 JECD C[C@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 14810828 JDYDAGXGMHVTNP-AWEZNQCLSA-N 484.530 2.004 10 20 JECD CC(=O)N1CCN(CCNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 729316845 SDGGGONBUVHBIN-VKAVYKQESA-N 466.654 2.010 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(CCN4[C@H](C)CC[C@H]4C)CC3)CC2)cc1 729607757 XDVFMKJNGOSNTE-DHIUTWEWSA-N 472.678 2.017 10 20 JECD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N(C)Cc2ccccc2O)c1 917310930 MUACAOGCAGTHCZ-UHFFFAOYSA-N 457.346 2.352 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN(C)C3=NS(=O)(=O)c4ccccc43)cc2F)C[C@@H](C)O1 917708412 BIRXMFVKKDQXQG-HZPDHXFCSA-N 474.558 2.136 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 918307309 SFLZXPKCXDLMRR-UHFFFAOYSA-N 465.598 2.056 10 20 JECD C[C@@H](NC(=O)c1cccs1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919699517 PLHKINCXFWPGTR-MRXNPFEDSA-N 468.558 2.439 10 20 JECD Cc1cccc(C)c1OC[C@@H](O)CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 920238735 WYBMQAGCDGUJNO-UNMCSNQZSA-N 454.571 2.244 10 20 JECD COc1ccc2cc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3cc(O)nc(O)c3)C4)[nH]c2c1 1778552952 BZDVONUOFYQLPP-CJFMBICVSA-N 480.521 2.424 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)C3(c4ccccc4F)CC3)C2)C1 1785461828 ZAYUMSHSIJKWRC-SANMLTNESA-N 490.535 2.480 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)Cc1c[nH]c3ccccc13)CCO2 1785510129 NMLZLZCUXWAKST-WHVGEVHXSA-N 477.517 2.371 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(F)CCCCC3)[C@H]2C1 1788168598 UZGKSYODVPTKSP-ONQJJZRUSA-N 462.518 2.469 10 20 JECD C[C@@H](C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1)n1ccccc1=O 1792315141 INVOCTFUEYNJLS-HNNXBMFYSA-N 484.603 2.404 10 20 JECD COc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)cn1 1794159331 LTPFTTWMXIJXCT-ASYHBGTLSA-N 467.522 2.491 10 20 JECD COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)nc1Br 1796601374 AHKWGUGZRINLIQ-CLLJXQQHSA-N 477.315 2.225 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccccc1Cl 1798804430 OSKWZNNPQLEGKT-SYSDTLGTSA-N 458.898 2.373 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncsc3[nH]1)C2)c1cc(O)c(O)c(Cl)c1 1799769439 LIWWCBDWGSOQBZ-CULMDFNYSA-N 462.915 2.206 10 20 JECD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc(C)c1C(=O)O 1802079725 UEZWXIXAJOLTDT-OFZGJKQNSA-N 496.516 2.035 10 20 JECD Cc1cccc(/C=C/C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)n1 1802460367 RQDRKHHHYIFBKN-MPAHJKEMSA-N 495.630 2.365 10 20 JECD CC(C)N1CCC(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)CC1 1804139418 GBKCRYNKOZNCIL-XXBNENTESA-N 467.570 2.328 10 20 JECD O=C(Cc1cnc2ccccn12)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804282856 FJROZDYEWARUOU-VYMNDLDVSA-N 462.506 2.345 10 20 JECD CC(C)(C)n1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c1Cl 1804331158 PWWLDNJQAQOTMZ-CLLJXQQHSA-N 484.047 2.404 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cccc(C(F)(F)F)n1 1804335864 NXPSJBCVTHPVSD-ZSBIGDGJSA-N 472.514 2.213 10 20 JECD Cc1nc(CC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)c(C)s1 1807215571 QBEBEJHFWSNGNL-UHFFFAOYSA-N 480.681 2.394 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(Cl)nc2n[nH]cc12 1807897054 OEAUARJHJVMITJ-RNODOKPDSA-N 493.911 2.446 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2n[nH]cc2c1 1808010842 CAPKTPZRLBOSTE-OPAMFIHVSA-N 458.478 2.398 10 20 JECD O=C(CC(F)(F)C(=O)O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1808296352 NCCZVMHHHYHARY-DNBICOFOSA-N 491.447 2.028 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)cc1O 1810554607 PIUSPHXECUICCA-UHFFFAOYSA-N 468.510 2.315 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cnccn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811797794 WLPJGFUOKLBHAH-BTYIYWSLSA-N 467.913 2.499 10 20 JECD Cc1cc(C)n(CC(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1814162014 FBTLNTRXAUCQMB-ANWYUNHFSA-N 491.548 2.431 10 20 JECD Cc1cc(C)n(CC(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1814162024 FBTLNTRXAUCQMB-PAQDKISJSA-N 491.548 2.431 10 20 JECD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728400 OFRTWPZYIZOJAA-CHWSQXEVSA-N 491.570 2.478 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146329 CBNOUZZPBAYDRA-YWZLYKJASA-N 479.541 2.062 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)sc2C1)c1cc(O)nc(O)c1 1821301728 UWSXVCIEDTUGSE-LBPRGKRZSA-N 497.489 2.332 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1nc2ccc(F)cn2n1 1821596846 CIUOSRMLRHRJOA-AWEZNQCLSA-N 466.433 2.017 10 20 JECD Cc1ccn(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)n1 1823476658 LGDMDDNSVZFIID-JKNJVXJCSA-N 466.498 2.437 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)no1)CC2)c1cc(O)c(O)c(Cl)c1 1823712359 ICNHLDMGGLABON-MRVPVSSYSA-N 450.860 2.441 10 20 JECD Cn1cc2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cc(O)nc(O)c3)CC4)ccc2n1 1823950418 FXEUHZAPTYLPNF-CQSZACIVSA-N 464.507 2.376 10 20 JECD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901960 WCEFRAFWOGAHIF-OAHLLOKOSA-N 479.584 2.017 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H]4CNC(=O)O4)CC3)CC2)cc1 1833513449 QXYACEWJLXFYTP-DEOSSOPVSA-N 493.608 2.388 10 20 JECD COc1ncc(Cl)cc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834985096 AAJIKJUTPRNMSC-UHFFFAOYSA-N 489.960 2.049 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=CCCS3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134337 FZZHRJJSMAXGOI-UHFFFAOYSA-N 481.622 2.372 10 20 JECD O=C(CSc1ccncc1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837119978 JFIMNXNRWRDGMM-UHFFFAOYSA-N 472.567 2.292 10 20 JECD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(C)c1 1838904656 RVCFTNGWXVMMKM-ZWDKTXKMSA-N 482.533 2.204 10 20 JECD O=C(CCC1CCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432426 NYBBVVRIMLFQLL-QFIPXVFZSA-N 452.935 2.402 10 20 JECD O=C1CSc2cc(C(=O)N3CC4(CCCN4C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)ccc2N1 1843441890 YQIZYSIWGCESDP-UHFFFAOYSA-N 489.557 2.341 10 20 JECD Cc1ncc(C(=O)N2CC3(CCCN3C(=O)[C@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C2)[nH]1 1844251797 YGLGNFILQSASMW-KRWDZBQOSA-N 499.568 2.082 10 20 JECD CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 10922729 QMSSGQPIHCHACC-UHFFFAOYSA-N 453.407 2.151 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3cccc(S(=O)(=O)NC(C)C)c3)CC2)cc1 24110173 IXFAZHURDOSYLR-UHFFFAOYSA-N 474.627 2.324 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NCc3cccc(NC(=O)[C@@H]4CCCO4)c3)CC2)cc1 726242425 ZTXHKUXITJZNOB-DEOSSOPVSA-N 481.597 2.434 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3sccc3S(=O)(=O)C(F)F)CC2)cc1 731095361 YXGWSSJLKSLUOL-UHFFFAOYSA-N 474.507 2.259 10 20 JECD COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 741737104 YABVKOHHESXHHR-DEOSSOPVSA-N 464.566 2.337 10 20 JECD NS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 817990006 ZPTMTBYUYPZOOD-UHFFFAOYSA-N 464.550 2.143 10 20 JECD O=C(CN1CCCN(C(=O)CC2CCCC2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 917053024 VWIOFJCEIXEPBV-UHFFFAOYSA-N 460.594 2.393 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 918311447 REHGEHJMRQELDS-UHFFFAOYSA-N 461.522 2.085 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 918460563 CQMPYEAULXIEPF-UHFFFAOYSA-N 486.594 2.157 10 20 JECD Cc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)c2C)c1 919074094 ZGHYIUBZXHHVIR-UYAOXDASSA-N 472.563 2.164 10 20 JECD CC(C)(C)C(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 919222281 UKHWFFSXESLRHB-OQLLNIDSSA-N 450.538 2.322 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H](C)Sc2ncccn2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 919626538 QLHBEDRLYIMKPK-OAHLLOKOSA-N 474.564 2.438 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CCN(C(=O)N2CCCC2)CC1 919699306 JARVLGSKWQUNJO-UHFFFAOYSA-N 495.603 2.486 10 20 JECD COC(=O)COc1ccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919762186 YHKLGRCHOARWAM-UHFFFAOYSA-N 479.512 2.424 10 20 JECD C[C@@H](C(=O)N(C)CC(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)n1cccn1 920543565 RDWORLIFKKHHNB-JKSUJKDBSA-N 488.500 2.248 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 1778189655 DXNGBZDGOMWRRQ-PNCHPQGNSA-N 457.914 2.393 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cnn(Cc2ccccc2)c1 1779746479 LRPYJWSCBKMNOR-QFQXNSOFSA-N 491.548 2.179 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3ccncc3-c3ccccc3)C2)C1 1779856212 KUEKDFYPXATHKE-XMMPIXPASA-N 496.614 2.052 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1780388379 XKRWHMYWAHRRPE-HSZRJFAPSA-N 483.912 2.089 10 20 JECD Cc1ccn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)n1 1781119500 LDCLRQSNPLDNPD-XMSQKQJNSA-N 462.934 2.084 10 20 JECD CC(C)N[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1)C(C)C 1783222362 QESDYBKJTZLLFY-KLPMHGKGSA-N 489.613 2.353 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(F)CCCCC1)C2 1783248269 YMVWFQMVWVHMFQ-FOIQADDNSA-N 471.620 2.033 10 20 JECD COc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1 1785013994 TZEXGNQOTYCDAW-RUZDIDTESA-N 480.496 2.071 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)c3ccccc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537368 QKHYMJOONGKWHD-UYLMIGBBSA-N 478.524 2.470 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539155 UYEXYRKVRKIWES-RRPUWOKSSA-N 460.534 2.002 10 20 JECD Cc1ccccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1789497608 PSYVYKJHSURNOF-HARLFGEKSA-N 460.534 2.381 10 20 JECD Cc1csc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796480288 ABWKOQDGXBLCHF-MRSFGVLCSA-N 480.590 2.372 10 20 JECD CC(C)[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796749370 FBOGZNPWJIKSPR-YHINDDMVSA-N 488.629 2.360 10 20 JECD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc(O)cc1 1799302958 VJEKQZLYXWFNPZ-ZIKOISBGSA-N 460.914 2.464 10 20 JECD CC[C@@H](C)[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S)c1ccccc1 1802104295 AIRUTEVWNKUKTC-PSSCGGISSA-N 489.663 2.266 10 20 JECD CC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1802550632 XPKMLXQKWIBGGS-MOXGXCLJSA-N 474.945 2.381 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc2n[nH]cc2c1 1808022790 XJOCLTMIGPXJEE-HRAATJIYSA-N 494.602 2.138 10 20 JECD C[C@H](Nc1ccccn1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810570830 AMTVMZJSZWTNLB-LBUQITIBSA-N 462.510 2.103 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CSc2nc[nH]n2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810724 WXZCLNVMTLXCQU-ACJLOTCBSA-N 488.957 2.376 10 20 JECD O=C(Cc1cc[nH]n1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1812417969 FSPKSOBBSQVVRG-VLIAUNLRSA-N 455.902 2.432 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccnnc2)[C@H]1c1cccnc1 1814162665 OZKXJRYEATYTRY-VYHZTRRPSA-N 461.478 2.021 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cccc3c2OCC3)[C@H]1c1cccnc1 1814189038 JYGLOJHHNJCXDA-UTKZUKDTSA-N 496.614 2.196 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cnc(Cl)nc1 1814329526 GWRVKGJZLVAOPO-GFCCVEGCSA-N 479.975 2.019 10 20 JECD Cc1nc[nH]c1CSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817846229 LNRGJGOZGZNZBX-MRXNPFEDSA-N 471.543 2.487 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848367 GKNHZJXWJPUXRL-BBRMVZONSA-N 452.471 2.384 10 20 JECD O=C(CCNC(=O)c1ccccc1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1823353876 CGXNKLDJEYRUCL-SFHVURJKSA-N 478.509 2.342 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)COC(=O)C(F)(F)F)[nH]n1 1823475356 QBXSGTCIQXKHBZ-IYNGYCSASA-N 498.414 2.338 10 20 JECD COC(=O)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830741599 XGRZYLDHVQOAPP-MRXNPFEDSA-N 453.923 2.341 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3nn[nH]c3c2)CC1 1831058604 BMCBRWFEZKZIGO-SFHVURJKSA-N 486.623 2.052 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1)c1cnn2cccnc12 1835535953 XOIVELSTAMZMSZ-UHFFFAOYSA-N 498.971 2.293 10 20 JECD COc1cc(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)c(NC(=O)OC(C)(C)C)cn1 1842129153 BUEABSMXSZUQJH-UHFFFAOYSA-N 499.524 2.374 10 20 JECD O=C(c1cccc(F)c1I)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250593 OXSZQBHIJLRIFU-UHFFFAOYSA-N 497.264 2.367 10 20 JECD COC(=O)CCOc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 747549103 GBZOOBZHVWJDQM-UHFFFAOYSA-N 455.511 2.062 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2)C1 917833427 SDUTWXVLSLIXEI-QGZVFWFLSA-N 481.509 2.301 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)cc2)C1 917836321 LDHAHKHMLFHSPS-IBGZPJMESA-N 465.529 2.322 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cc4c(cc3O)OCO4)cc2F)C[C@@H](C)O1 919452002 RUBGMMWGRFAIBG-OKILXGFUSA-N 460.458 2.347 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCS(=O)(=O)c3ccc(Cl)cc3)cc2)C1 919777305 INQFFMNEXRYZGF-QGZVFWFLSA-N 479.002 2.315 10 20 JECD CC(C)CN1C(=O)/C(=C\Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C(=O)NC1=S 920978911 NZOZGFSKBVFCIH-AQTBWJFISA-N 464.613 2.446 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccoc3C1)CCO2 1785504122 XTQOETHKJUPPKQ-GZXAXQSWSA-N 468.506 2.045 10 20 JECD Cc1ccc2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)nc(O)c5)C[C@@H]43)sc2c1 1786262978 XBPBFHDCIVUXKV-QRTARXTBSA-N 468.535 2.318 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1n[nH]c2c1CCCC2 1787316512 AKRLUBIZMIQMFJ-ODYMNIRHSA-N 474.945 2.260 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)c2ccccn2)cc1 1795614180 GADOZWCGTNNNOT-JQOLTRQRSA-N 473.577 2.392 10 20 JECD Cn1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc2ccccc21 1796479754 PPOBGRTZLPXBTC-HBNMSFMJSA-N 485.544 2.174 10 20 JECD O=C(CC(F)(F)C(=O)O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1808296361 NCCZVMHHHYHARY-ZIPBJVRUSA-N 491.447 2.028 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc2ncoc2c1 1809410563 NAACZMUBVAMEOJ-HRAATJIYSA-N 495.586 2.403 10 20 JECD CC(=O)NC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815236537 CGFIPIMQZJNPFE-IBGZPJMESA-N 479.541 2.109 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1COc3ccccc3O1)CC2)c1cc(O)nc(O)c1 1816722369 YYTLIMIPBUQZBK-MLGOLLRUSA-N 468.491 2.015 10 20 JECD CCOC(=O)N1CCC(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)CC1 1816728006 FHLAPSSDFXCBRP-AWEZNQCLSA-N 489.554 2.044 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)c3cnn4ncccc34)sc2C1 1816947901 IJKSQQUBPOTDRZ-GBVBUYCNSA-N 492.517 2.242 10 20 JECD C=C(Oc1ccccc1O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1817260181 JYXKSRAURXGFOL-ZDUSSCGKSA-N 468.491 2.473 10 20 JECD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1)n1ccnn1 1818147926 PSFWGRXMNQIQLD-HNAYVOBHSA-N 475.513 2.047 10 20 JECD CC(=O)Nc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)o1 1819398004 DGCZIPVZFKATHD-CQSZACIVSA-N 454.443 2.387 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnsn1)CC2 1828195875 YCQDVZNLORHSLW-GCEAOBNSSA-N 459.509 2.051 10 20 JECD Cc1ncc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)s1 1832900624 XAUGHPPIPLARIK-KRWDZBQOSA-N 480.681 2.474 10 20 JECD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cnc1C 1833915576 UJGLPWPDUZLEME-UHFFFAOYSA-N 453.543 2.004 10 20 JECD CSCC[C@H](CC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)NC(=O)OC(C)(C)C 1843380365 ASIBPYRRVYSVSN-MRXNPFEDSA-N 494.614 2.346 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cc(-c3ccccn3)[nH]n2)C1 1844499781 KQPGVDNFUDRUHK-SOFGYWHQSA-N 461.478 2.119 10 20 JECD COc1ccc(N2CCC(NC(=O)NCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 726708895 GVXIQLQUAMFKEQ-UHFFFAOYSA-N 451.571 2.312 10 20 JECD Cn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4cccc(-n5cnnn5)c4)cs3)ccc21 727248392 DQWVPXRGXSKUAK-UHFFFAOYSA-N 455.481 2.032 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2sccc2Br)cc1C(=O)O 728015873 YOLWHLQBRAAISN-UHFFFAOYSA-N 455.333 2.381 10 20 JECD COc1ccc(O)c([C@H](C)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])c1 728908566 MVETWVDMLNUGDW-AWEZNQCLSA-N 450.517 2.418 10 20 JECD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCc1ccc2c(c1)CCCN2C 746752398 STPKDJBFKFYWEI-UHFFFAOYSA-N 474.583 2.420 10 20 JECD CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 917911643 HPVMICMDWQMMBD-UHFFFAOYSA-N 478.514 2.424 10 20 JECD CC[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1OCC(=O)NC 918123631 ZPQJJLWXOOHDST-SIKLNZKXSA-N 481.597 2.464 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(Br)c3)cc2)C1 918464128 RAMUTWHDVTUGAF-OAHLLOKOSA-N 459.344 2.406 10 20 JECD O=C(/C=C\c1ccc(I)o1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918643297 JEYFRQROEKRHAG-VURMDHGXSA-N 486.331 2.449 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2)cc1 920254003 FCMXJLOOAIPBJY-QXMHVHEDSA-N 476.577 2.321 10 20 JECD COCCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl 920927310 ZYDKUFUZUXFSOM-MRXNPFEDSA-N 488.972 2.369 10 20 JECD O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCN(C(=O)N2CCOCC2)CC1 1319998719 GFLHXVUICCMTFO-BMRADRMJSA-N 494.664 2.326 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007724 NOARNIJUBPGHLT-HTAPYJJXSA-N 451.951 2.068 10 20 JECD COC(=O)c1ccc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)nc(O)c5)CCO4)C3)ccc2c1 1782523763 FZMDQMGBFYBVEM-SANMLTNESA-N 491.500 2.190 10 20 JECD C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2)Oc1ccccc1 1782879539 LDUFFZQMZWNLIR-CCLHPLFOSA-N 490.560 2.467 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1CCCSC1 1783205807 LWXAOWXEFVKAKV-JLFLATNGSA-N 476.595 2.474 10 20 JECD Cc1cc(Cl)ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1783717160 XOBXQRSBZRZZLF-JQFCIGGWSA-N 482.027 2.102 10 20 JECD Cc1cncc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1 1785289480 MPNWKAXFDTZXBW-ICPKNQAFSA-N 481.549 2.133 10 20 JECD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1)c1ccccc1 1785536131 ZLIDOALZUICFCK-AFMDSPMNSA-N 460.534 2.413 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)n(C(F)F)n1 1789334735 AKHIFBFEFAEGHS-KOSDZWPSSA-N 492.479 2.010 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1C[C@H]1c1ccc(F)cc1 1792811644 DNUWPZSSMIZYMP-AACIOFFESA-N 482.508 2.349 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2cccc(F)c2)CC1 1793782203 LOKPHCVLLFUBIK-MBQWOLKWSA-N 482.508 2.277 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(O)nc(O)c3)C[C@@H]2C1 1796602371 ANKMUMPLLRIMLV-NCRMQOBRSA-N 486.569 2.392 10 20 JECD Cc1nc[nH]c1CSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1798352871 HHRADXNZKZPLOD-ZURAMSNBSA-N 472.567 2.420 10 20 JECD COc1cc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(F)c1 1799594464 YQKWXDKZMSRWJO-IGDYCWIXSA-N 490.459 2.007 10 20 JECD CCc1nn(C)c(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1Cl 1805052135 ZPDWUEWSUVEWNO-VBKZILBWSA-N 484.944 2.471 10 20 JECD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1 1806934219 FVZHLWHNRNHLPJ-UHFFFAOYSA-N 477.905 2.401 10 20 JECD COc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(O)c1 1807996115 YCOUASOTYKTWRD-OYHNWAKOSA-N 464.478 2.235 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)ccc2F)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998280 CVBMAHSLSPIPGO-LHSJRXKWSA-N 452.442 2.366 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807998599 MWJUVTHKEXQMQC-YHEJKZAPSA-N 463.494 2.070 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccc2c[nH]nc12 1808057779 BDSQHHMTCJEFQR-KSFYIVLOSA-N 458.478 2.398 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)nn1C 1814162372 IRIMYDRSZZKPPR-VSEMJTJDSA-N 477.521 2.273 10 20 JECD CC(C)n1cnc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1814164371 ZJRZWAJTHYKKAJ-HQWUWBFJSA-N 492.536 2.404 10 20 JECD Cc1cc(CCC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)ccn1 1814185572 SMSRJJMPRPUQPU-WMZHIEFXSA-N 497.646 2.284 10 20 JECD O=C(CNc1ccc(F)cc1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1814842241 ZNNZEDNGFZNGEW-CYBMUJFWSA-N 493.611 2.167 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CCCC3)[nH]n1)c1cc(O)nc(O)c1 1817844676 HIIMIGAVMALDDT-INIZCTEOSA-N 451.487 2.438 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817845114 ZXUYEYCZVDMWNO-GUYCJALGSA-N 451.487 2.417 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC(c3ccccc3)=NN2)[nH]n1)c1cc(O)nc(O)c1 1817846848 DVVVYXUMFMFCCD-MOPGFXCFSA-N 475.509 2.288 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc2nc[nH]c2c1 1819065193 HDNMLAYTSRLRFU-INIZCTEOSA-N 483.579 2.452 10 20 JECD O=C(O)CSCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1826119952 KBECTENBMHKRHI-VIFPVBQESA-N 471.944 2.251 10 20 JECD O=C(Cn1cccn1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715267 JXHQXCGVYIPALH-QFIPXVFZSA-N 462.554 2.296 10 20 JECD Cn1c(=O)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)nc2ccccc21 1828220342 RHAVEAGVQVLGSB-LJQANCHMSA-N 491.548 2.287 10 20 JECD O=C(Cn1ccccc1=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877495 OHTUPUVVIJFZBI-MFUYTVRRSA-N 481.549 2.298 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cnc4ccoc4c3)CC2)CC1)c1cc(O)nc(O)c1 1834986924 KAFOAKYEOGLFIE-UHFFFAOYSA-N 465.510 2.133 10 20 JECD Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1O 1834987386 NPCKWZVRYQTNCJ-UHFFFAOYSA-N 454.527 2.006 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCC=CO3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132694 DWEPHFXWEAVJCS-HSZRJFAPSA-N 479.581 2.044 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1ccc(O)cc1 1836299597 UAMFUEFAVCKYIM-UHFFFAOYSA-N 489.576 2.370 10 20 JECD O=C(CCC1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1836526472 UXQIHKIAJOYCCH-SANMLTNESA-N 482.581 2.206 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3n[nH]c4c(F)cccc34)CC2)CC1 1838029732 HFYBADIHNQELQE-UHFFFAOYSA-N 483.500 2.434 10 20 JECD CC(C)(C)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)[nH]n1 1839433474 IXCHNYJWQDFPIR-QHCPKHFHSA-N 492.960 2.156 10 20 JECD CC(C)[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)CC1 1839974686 BICBASMLSFALOJ-XFAGBWLFSA-N 461.559 2.025 10 20 JECD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(N(C)C)cc2)CC1 23956826 LXZQBTQPQKFOFK-UHFFFAOYSA-N 459.568 2.256 10 20 JECD COc1ccc(CN2C[C@H](C(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1 726524495 XWPHQOLRWXTDCU-JOCHJYFZSA-N 480.609 2.381 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N[C@H](CN3CCN(C)CC3)c3ccccc3)CC2)cc1 727938500 SCRNNWJXGMESKG-HHHXNRCGSA-N 494.684 2.495 10 20 JECD COc1ccc(N2CCN(C(=O)C[S@](=O)Cc3nc(Cc4ccccc4)no3)CC2)cc1 731104690 WILRINOVMUVYQP-JGCGQSQUSA-N 454.552 2.267 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)Nc1cccnc1-n1cncn1 731278159 KCVRQKNQGHYLII-UHFFFAOYSA-N 474.504 2.240 10 20 JECD C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cc(F)ccc1N1CCC(O)CC1 857461419 ZDQUVEGNQWMSDK-CYBMUJFWSA-N 451.520 2.355 10 20 JECD Cc1ccn2c(=O)c(C(=O)OCC(=O)c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)cnc2c1 915547428 XFENHRHUDZHSPX-UHFFFAOYSA-N 494.529 2.098 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 916676267 FDRNRFOPUBHXJG-DHZHZOJOSA-N 481.618 2.490 10 20 JECD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 918293638 BBHNSEKJLXFHHI-UHFFFAOYSA-N 465.462 2.056 10 20 JECD O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCCN2CCC[C@H]2C1 1318063864 BMBMKDKBTLHCHN-KRWDZBQOSA-N 460.512 2.412 10 20 JECD CC(C)(C)N1CCN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CC1 1327322082 YLXAAWHDWOQQER-CPNJWEJPSA-N 490.651 2.149 10 20 JECD CC(C)(C)OC(=O)CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777846309 ARLMBVLNJBCZCW-MZNJEOGPSA-N 477.558 2.132 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc[nH]3)C2)C1 1779370780 AFECERWLWQLYML-RLWLMLJZSA-N 497.596 2.176 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1onc2ccccc12 1781304763 PSXCUFDRVDTEOD-UZUQRXQVSA-N 452.467 2.075 10 20 JECD O=C(Cc1cc(F)cc(F)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1787076546 CAXJYXWFPMBCNM-HYVJGQCMSA-N 496.514 2.280 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3OC(F)(F)F)C[C@@H]21)c1cc(O)nc(O)c1 1787292654 ZXYZZNKUVXBDAY-NUTKFTJISA-N 481.427 2.299 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(C(F)F)c1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480835 WGEVOKDMABKBKS-VPTLXERWSA-N 483.475 2.015 10 20 JECD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[S@](=O)c1ccccc1 1800216395 POHNTSGBJUDNQF-VARUGVCNSA-N 492.981 2.151 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3nonc3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995761 ILKBTBKDDVSJBZ-BTYIYWSLSA-N 460.450 2.057 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCCC3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996593 WGOYGBAHLLQTGL-KSFYIVLOSA-N 462.510 2.054 10 20 JECD COCCCC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808463571 DBUOAWLPFDPPDO-CYFREDJKSA-N 463.538 2.307 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)CC2)C1 1810555072 ZTDBHLNWLUNYQU-ZDUSSCGKSA-N 493.486 2.495 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccncc1O 1810667025 NHYCSKIMSWXGSQ-TXXGBIHESA-N 476.489 2.332 10 20 JECD Cn1cc2cc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)ccc2n1 1812096849 BEJDSWWTZJODJC-UZUQRXQVSA-N 472.505 2.408 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc(O)c(F)c2)[C@H]1c1cccnc1 1814190014 OEMZDXDSGCXDFP-YWZLYKJASA-N 488.566 2.106 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc(C2CC2)on1 1814629335 XITGITYRLJXBRM-AWEZNQCLSA-N 474.568 2.441 10 20 JECD O=C(C[C@H]1COc2ccccc2O1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720276 IOGIOCDDSXVFRB-KBPBESRZSA-N 482.518 2.405 10 20 JECD Cc1ncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)s1 1818410379 JCOYVURMCINEBW-LBPRGKRZSA-N 464.598 2.341 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4ccccc34)sc2C1 1819084835 HFGFTEVBAMWFQQ-SNVBAGLBSA-N 486.604 2.106 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)[C@H]1CCCS1(=O)=O 1821837871 DHFCREOJEGJOET-GOEBONIOSA-N 482.946 2.357 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cnc3ccccn23)[nH]n1 1823497875 ZNXDTQHKCXSBJA-INIZCTEOSA-N 497.606 2.153 10 20 JECD CC(=O)N[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)C(C)(C)C 1824362462 RQWWXHODPUIFHH-XLIONFOSSA-N 496.699 2.017 10 20 JECD CC(C)c1nc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)no1 1825123546 LBTICUKKPWCFMX-MRXNPFEDSA-N 493.655 2.216 10 20 JECD O=C(Cc1ccc2c(c1)CCO2)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1825532600 BWIMBCSZWVTVCF-HNNXBMFYSA-N 466.519 2.353 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)c2ccncc2)C1 1842395974 AOVDNZNVFNEIKF-LJQANCHMSA-N 496.564 2.446 10 20 JECD O=C(CNC(=O)c1cc(-c2ccccc2)on1)NCc1ccc(N2CCC(O)CC2)c(F)c1 749732092 AVHQZRVEEZALGO-UHFFFAOYSA-N 452.486 2.488 10 20 JECD CCN(CC)c1ccc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)NC[C@H]3CCCO3)c2=O)cc1 916219686 JECLZOITEMZWRH-OAQYLSRUSA-N 499.677 2.276 10 20 JECD Cc1cc(C(=O)Cn2nccc2[N+](=O)[O-])c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 918160150 GCQMWPSVQINPLR-UHFFFAOYSA-N 473.511 2.103 10 20 JECD O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918295219 OTKCNLXFJPVSRI-FQEVSTJZSA-N 487.578 2.323 10 20 JECD CC(C)c1c(C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cnc2ncnn12 919274341 UWWAOZJVXKZVIH-HZPDHXFCSA-N 484.532 2.474 10 20 JECD Cc1ccn2c(=O)c(C(=O)NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)cnc2c1 919761466 CQXKWXYACSVTJV-UHFFFAOYSA-N 473.512 2.189 10 20 JECD CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)cc1 919805677 GMGFHPTZKUFYKV-MRXNPFEDSA-N 495.623 2.424 10 20 JECD COc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc(Cl)c1OCC(N)=O 919969680 WETLSJWMILKUNQ-UHFFFAOYSA-N 465.909 2.243 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 920636866 OLGRKUKQFRWADC-GOSISDBHSA-N 490.534 2.446 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4ccccc4)nc3)C2)C1 1779894765 KPZUPUWTDDQJOP-DEOSSOPVSA-N 496.614 2.052 10 20 JECD Cc1nc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)no1 1781750405 GMNCRZYDIMCKBX-RUZDIDTESA-N 463.538 2.472 10 20 JECD O=C(/C=C/c1cccc(O)c1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1781846811 XLIQWKNVIPUWRD-JHGPDTEOSA-N 453.495 2.039 10 20 JECD O=C(CCc1cnc2[nH]ccc2c1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1782068363 HEUWLOWRDZRJAC-KBMIEXCESA-N 479.537 2.129 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C13CC(F)(C1)C3)C2 1783218269 ICLIXJLRMTZBQC-QUSHBJCWSA-N 460.502 2.223 10 20 JECD Cc1csc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c1 1783245250 OXMWZGTVJQZYCD-FOIQADDNSA-N 467.638 2.044 10 20 JECD COc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1786013292 SZBJKRXTKCDACD-QITLCBANSA-N 461.902 2.062 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H]3CNc4ccccc4C3)C[C@@H]21)c1cc(O)nc(O)c1 1787291233 PPIGROZRLMCELU-NTPMHYTDSA-N 480.565 2.151 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OC(F)F)cc3F)C[C@@H]21)c1cc(O)nc(O)c1 1787295465 WMOMOVKFHRAQNQ-KCTSRDHCSA-N 481.427 2.140 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3scnc3C3CC3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537429 SWQWEJCFEJYEMY-QRFRQXIXSA-N 493.589 2.407 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)c1ccccc1)C2 1802078755 DJZJWMPIEVLCSO-KVMWQXBQSA-N 456.470 2.117 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(Cl)c1)C2 1802080220 HAIOAANTAXMPTL-DOZWIBKZSA-N 458.898 2.373 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804186387 JRQIMAUHAGTCAQ-SWHJIRTISA-N 487.560 2.264 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(-c3cccnc3)[nH]n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994619 JVXJOTFCTOKYNG-HXOBKFHXSA-N 485.504 2.306 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2nc3ccccc3[nH]2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995903 KXGQVOAESHAVDP-VFNWGFHPSA-N 458.478 2.398 10 20 JECD Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)nn1C 1818146165 UWMSZAIPXWCOOQ-OAQYLSRUSA-N 488.552 2.479 10 20 JECD Cc1ccn(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)n1 1818146307 YPKDFNCDFGFRNV-FQEVSTJZSA-N 474.525 2.400 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2coc(Cl)n2)[nH]n1 1823495770 BHJCIXXVKXEYRC-NSHDSACASA-N 468.948 2.217 10 20 JECD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1824175535 SNTOAUVQXIXZTB-LMMKCTJWSA-N 459.543 2.315 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1825814944 INVUYIPNAXGKDL-PWSUYJOCSA-N 477.543 2.088 10 20 JECD CCC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1828128357 ZZEBVASFTGSRLQ-CRAIPNDOSA-N 496.593 2.153 10 20 JECD O=C(c1cc(O)ncn1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876992 QWRNOXOLNRJQNG-FZMUQLTDSA-N 468.510 2.246 10 20 JECD O=C(c1ccn2cncc2c1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902760 UJDVLTNNQPYOQI-IBGZPJMESA-N 485.635 2.428 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccn2)CCO3)cc1 1833976687 JIYYOSVNQCZASS-AREMUKBSSA-N 475.549 2.268 10 20 JECD Cc1ccccc1OCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1834534458 PNYKFVKZLYFRNM-UHFFFAOYSA-N 468.554 2.065 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3n[nH]c4cccc(F)c34)CC2)CC1)c1cc(O)nc(O)c1 1834987291 KNPZCCQKMLHJBU-UHFFFAOYSA-N 482.516 2.007 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc4ccccc34)CC2)CC1)c1cc(O)nc(O)c1 1834987678 UMOJPJUPYUZSIN-UHFFFAOYSA-N 491.548 2.246 10 20 JECD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)c[nH]1 1835225273 MSUAIUHAJFOBSC-HWKANZROSA-N 468.554 2.339 10 20 JECD Nc1ncc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)s1 1837901712 WFTFPNWALXYWNF-DUXPYHPUSA-N 488.566 2.168 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2ccccc2-n2nccn2)C1 1845430133 HJKNPNPUQBMJKO-UHFFFAOYSA-N 453.886 2.463 10 20 JECD CCOC(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)CC1 1845502561 NDRROLCLLTZFGY-UHFFFAOYSA-N 465.934 2.437 10 20 JECD Cn1cc(/C=C/C(=O)N(Cc2ccccc2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cn1 20675787 KDRHGXDYJPYKFM-OUKQBFOZSA-N 456.506 2.147 10 20 JECD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 729057758 LBSWJTQMAMUXSU-HXUWFJFHSA-N 487.578 2.321 10 20 JECD Cc1cc(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c(C)n1-c1ccccn1 914906660 PKXSAWUKQPDTDO-AWEZNQCLSA-N 468.535 2.271 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cnc4c(cnn4C(C)C)c3)CC2)cc1 918248864 BJUWSVFJMRSYSO-UHFFFAOYSA-N 479.585 2.288 10 20 JECD Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)C2)cc1 918337824 OTRRJNVDSOPNOU-QFIPXVFZSA-N 469.607 2.398 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)cc2F)C[C@@H](C)O1 919526696 ZDTAGRWPAWDQSE-IAGOWNOFSA-N 486.544 2.477 10 20 JECD O=C1COc2ccc(C(=O)NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)cc2N1 919699490 NPDDKUQJXURZJZ-UHFFFAOYSA-N 462.485 2.203 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCCC1(F)F)C2)c1cc(O)nc(O)c1 1777849321 SOCQFZFNLTWUNF-WHSLLNHNSA-N 453.486 2.446 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1onc3ccccc13)C2)c1cc(O)nc(O)c1 1777852889 YZFSUEWKOYSEMA-UZUQRXQVSA-N 452.467 2.075 10 20 JECD O=C(Cc1c(F)cccc1F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1780472534 NQKJNNDSRVJOSF-WZONZLPQSA-N 461.465 2.141 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(F)c(F)cc1F 1780894938 OUQWGQGAOVFZQH-VGOFRKELSA-N 465.428 2.351 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)cc1 1781754540 ZWHVRXCIHYMTEV-RDGATRHJSA-N 485.606 2.115 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ccccc3n1)CCO2 1782005624 RLABGCPDQUEOBQ-HSZRJFAPSA-N 468.897 2.452 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCCC3)C2 1783222092 IGPMLBGLTDFUQO-ZYHKADTASA-N 496.564 2.177 10 20 JECD CC(C)c1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)co1 1785545248 QDEARXTYQNLTHX-XLKQXPMPSA-N 471.510 2.222 10 20 JECD O=C(COC(=O)C(F)(F)F)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1 1788427077 NMMZIELNZOFVNL-UHFFFAOYSA-N 453.373 2.346 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc2ncccc12 1793551255 WSZARQCEZUYBBS-BJWYYQGGSA-N 468.604 2.276 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc2cccnc2[nH]1 1809901836 SNQNCLHBDYXETL-KKSFZXQISA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccncc1O 1810667027 NHYCSKIMSWXGSQ-YEUXVMMMSA-N 476.489 2.332 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccncc1Cl 1810738433 JDVGKDBBXABJEI-IFXJQAMLSA-N 490.010 2.310 10 20 JECD Cc1ccc(O)c(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1814189914 KPQYUAIDVFTUDA-KKSFZXQISA-N 484.603 2.276 10 20 JECD Cn1ncc2cc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)ccc21 1816726248 UBYCNHBFCMKDID-CQSZACIVSA-N 464.507 2.376 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)C23CC(F)(C2)C3)[nH]n1 1823497202 SKRGTMBQZBSZPU-RMEHTXHKSA-N 451.549 2.154 10 20 JECD COc1nn(C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1825735349 XLGVQNQUTWEXGI-QRBZPYHOSA-N 484.553 2.492 10 20 JECD COc1cccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)n1 1827423769 GQMPYEDGQMYGQL-LJQANCHMSA-N 454.527 2.372 10 20 JECD O=C(c1nn[nH]c1C(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427893 LGBGELGNCJPVKH-CYBMUJFWSA-N 468.436 2.177 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827687823 COXNPRDFMXZALH-MBSDFSHPSA-N 481.597 2.266 10 20 JECD NC(=O)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)cc1 1832542204 SHFNJRQCLAVPFT-LJQANCHMSA-N 452.511 2.139 10 20 JECD Cc1c(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)cnn1C 1834280997 UWIZEDDRRFFXTJ-UHFFFAOYSA-N 475.977 2.292 10 20 JECD COC[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1841661892 CSHVGVQYYMKNQK-FXAWDEMLSA-N 474.602 2.191 10 20 JECD O=C(c1ccc(-n2cccn2)cc1Cl)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250600 PGZILTDWEMGYKX-UHFFFAOYSA-N 453.886 2.463 10 20 JECD O=C(c1cc(-c2ccccc2)no1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056621 SPTQIJIJDXERHX-UHFFFAOYSA-N 456.549 2.019 10 20 JECD Cc1cccc(C)c1SCC(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056781 ZEMDYOSMCZTJIG-UHFFFAOYSA-N 463.650 2.459 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N[C@@H](c3cccc(F)c3)c3nccn3C)nnc2n1 108222056 TYFQGNOMJNAJFI-INIZCTEOSA-N 484.565 2.253 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCN(C(=O)Cc4ccccc4C)CC3)CC2)cc1 109960405 MYJHOJURDYWEAZ-UHFFFAOYSA-N 450.583 2.039 10 20 JECD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N[C@H](C)c1cc(OC)ccc1O 729064031 OBCHUTWZANVUAU-OAHLLOKOSA-N 475.567 2.198 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(Cc4cscn4)CC3)cc2F)C[C@@H](C)O1 744201263 WAHSZRRBBNYZHR-QZTJIDSGSA-N 461.607 2.330 10 20 JECD CS(=O)(=O)C1(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCCC1 750270234 RLUYQPOODAVKEE-UHFFFAOYSA-N 455.488 2.301 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 750344809 PFKKCRZZVFCHSJ-UHFFFAOYSA-N 458.881 2.151 10 20 JECD COc1ccc(N2CCN(CCCNC(=N)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 849055402 VTDNVJUKDJXZCR-UHFFFAOYSA-N 460.623 2.284 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccc(S(=O)(=O)N[C@@H](C)CC)cc3)nc12 918970141 RZINBEGFCSAPHC-ZDUSSCGKSA-N 476.511 2.045 10 20 JECD COCCNC(=O)CN1CCN(C(=O)c2cc(C)n(-c3ccccc3Br)c2C)CC1 920435882 ZBYFFUIIYHZWEV-UHFFFAOYSA-N 477.403 2.377 10 20 JECD CN1C(=O)c2ccc(NC(=O)COC(=O)c3ccc4c(c3N)C(=O)c3ccccc3C4=O)cc2C1=O 921137882 QWEGCBJYTBJVFF-UHFFFAOYSA-N 483.436 2.066 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc(OC(F)F)cc1F 1789240744 NNKGVYPDRKCMGY-KCTSRDHCSA-N 481.427 2.140 10 20 JECD CN1CCc2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=C/c5ccc(O)c(O)c5O)[C@H]4C3)ccc21 1792219119 KIPNAPHXBZUDCC-JFFOYGLXSA-N 493.560 2.102 10 20 JECD Cc1nccn1CC(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792316086 OFQZVOKLOPPXAC-UHFFFAOYSA-N 457.581 2.186 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)c(F)cc1F)C2)C1=NN(c2ccccc2)C(=O)C1 1796481126 OJWBLFSHWYYAFJ-HSAQVAQVSA-N 486.450 2.100 10 20 JECD CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1cccnc1 1796600765 BHWDJOWIZBRDQV-BMQTXXJKSA-N 497.552 2.406 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc2nc[nH]c2c1 1797411435 YSWBUFQKNKTVOZ-HBCWATKFSA-N 456.886 2.145 10 20 JECD CCOc1ncc(Cl)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1798895765 SVNJIIYRDULRJK-BTTYYORXSA-N 483.015 2.246 10 20 JECD C/C(=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(=O)O 1799622605 FELJWAWTPWADDY-DUYZRWARSA-N 451.523 2.328 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cnc2cccc(Cl)c2c1 1800090870 WAVHCSWLMOLFRZ-USGNIVHTSA-N 468.897 2.211 10 20 JECD COCCOCCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2 1802086605 QBJUPBZBXWBCMW-BJWYYQGGSA-N 470.950 2.073 10 20 JECD COC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1803673983 HMAOKDIIDGKAEQ-GWJPWWOOSA-N 463.538 2.163 10 20 JECD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)[nH]1 1803814202 YLJAXDIXOFUVSD-JPYJTQIMSA-N 471.521 2.226 10 20 JECD COc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1OC 1804331465 YBZAKHVFWAUEKY-BJWYYQGGSA-N 491.635 2.135 10 20 JECD Cc1nocc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1805820938 CBEIIXARYQRAPR-MBSDFSHPSA-N 472.505 2.491 10 20 JECD C[C@H](Cn1cncn1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1810478571 XYRSFORPVJKFEV-KKVAFCGZSA-N 484.944 2.394 10 20 JECD O=C(/C=C/c1cccc(O)c1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1812729483 FXGWIIMRNSFQSG-LJBSYDGDSA-N 496.614 2.367 10 20 JECD Cc1cnn(CC(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)c1 1814163504 FFEDTKALHWEOHX-DBUITHOJSA-N 477.521 2.123 10 20 JECD O=C(Cc1cccc(Cl)n1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816721631 NHCWFOFBXSRYDJ-LBPRGKRZSA-N 459.915 2.466 10 20 JECD C=C(Oc1ccccc1O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816725839 QBUWLJXRGKVFGV-CYBMUJFWSA-N 468.491 2.473 10 20 JECD Cc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)[nH]1 1817362958 CSMYBLHPKQFBOQ-ZDUSSCGKSA-N 463.523 2.193 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(-n3ccnc3)ccn2)[nH]n1)c1cc(O)nc(O)c1 1817847797 ZBGFXDCXPFLGOC-GOSISDBHSA-N 474.481 2.416 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccc(Cl)o3)sc2C1 1817925546 QEQKPTKQXWELRN-QMMMGPOBSA-N 470.985 2.476 10 20 JECD Cn1ncc2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cc(O)nc(O)c3)CC4)ccc21 1818546170 QURGMSNCRCQBGK-AWEZNQCLSA-N 464.507 2.376 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CCCC3)[nH]n1 1823497460 FAONEJCJPMLBJS-HNNXBMFYSA-N 487.611 2.178 10 20 JECD C[C@@H](Nc1nccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823498623 RHGNYVLCBBFZNB-DGCLKSJQSA-N 493.640 2.219 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cn(C)cn2)CCO3)cc1 1834448576 YEYVEKYRUKJAPB-AREMUKBSSA-N 477.565 2.211 10 20 JECD C[C@H](Sc1cccs1)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055562 HQUPUILARAVDJQ-LBPRGKRZSA-N 455.652 2.292 10 20 JECD COc1cccc(-c2cc(C(=O)N3CC4(CCCN4C(=O)CN4C(=O)CSC4=S)C3)c[nH]2)c1 1847055875 PHEHQGSILPUSLK-UHFFFAOYSA-N 484.603 2.368 10 20 JECD COc1ccc(N2CCCN(Cn3c(=O)oc4cc(S(=O)(=O)N(C)C)ccc43)CC2)cc1 725768710 BULKEVWCJSHKHX-UHFFFAOYSA-N 460.556 2.023 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(N4CCCC4)c3)CC2)cc1 726295235 KKGAIUKQYNXNSQ-UHFFFAOYSA-N 451.571 2.172 10 20 JECD Cc1cc(C(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 729153250 HUMHLNKFWNRXNW-UHFFFAOYSA-N 495.504 2.377 10 20 JECD CCOC(=O)C1CCN(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 917917955 LAJREJUCHUFMLA-HOTGVXAUSA-N 457.568 2.049 10 20 JECD Cc1cc(C(=O)COC(=O)c2cc3c(cc2O)OCO3)c(C)n1-c1ccc(S(N)(=O)=O)cc1 919450071 SXMUTCZQMAHVDH-UHFFFAOYSA-N 472.475 2.216 10 20 JECD O=C(COC(=O)CCCS(=O)(=O)N1CCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 919553500 JHXFBLWPTARBCW-UHFFFAOYSA-N 484.530 2.150 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccnc(-n2ccnc2)c1 919761840 OSVIBIIHQULJFM-UHFFFAOYSA-N 458.501 2.453 10 20 JECD C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(N2CCOCC2)cc1 920926907 RPTXNJUAIYAXAA-SFHVURJKSA-N 486.594 2.124 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc(Cl)ccc1F)C2)c1cc(O)nc(O)c1 1777849094 LGHQQRLFNLCAIS-SPLOXXLWSA-N 464.881 2.122 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc(Cl)n3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537291 MITSKKAJLRDKKU-LRQRDZAKSA-N 495.967 2.050 10 20 JECD Cc1ccc(C)c(OCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1 1792217394 BAMHVBQCTCKPIC-ZGONIQJLSA-N 496.560 2.492 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)C1Cc2ccccc2C1 1792316261 DDRLYYYXBBGYNO-OPHFCASCSA-N 486.572 2.174 10 20 JECD CO[C@@](C)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1)c1cccc2ccccc12 1796139916 WLXHGRSNYXSHNI-IACMHESWSA-N 491.544 2.411 10 20 JECD Cc1cc(F)cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796482523 DQHNCGCWXXZZTK-HBNMSFMJSA-N 478.524 2.059 10 20 JECD C[C@H]1CCc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]c21 1799768552 ZONTWQPZACZWSU-FSAGPHNTSA-N 460.918 2.041 10 20 JECD COc1c(Cl)cccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1801805423 BUVBSSHAXHVTRT-MFKICJERSA-N 496.951 2.345 10 20 JECD C[C@H](Nc1cccnc1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807155675 OKLDSSLPDCNWCI-GIMINZRKSA-N 462.510 2.103 10 20 JECD Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)cn1 1807200474 HROLUPAYLBLEMH-UHFFFAOYSA-N 460.625 2.024 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc3c[nH]nc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995350 YIAXEGOSNOZCCS-OPAMFIHVSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccn2cncc12 1810000071 WLESLZJUZOWBJZ-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD Cn1cccc1C(=O)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813479431 NADLIRYGOYQRCE-AVUHJFIJSA-N 490.516 2.139 10 20 JECD Cc1ccn(CC(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1814162867 SQEIUWQMDFZJLI-CTWZSZLHSA-N 477.521 2.123 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n[nH]1 1814164283 XRNUXNAOBAAYNE-PQGDUDRBSA-N 463.494 2.263 10 20 JECD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n[nH]1 1817361872 KCLPHNUMRWJBGM-CYBMUJFWSA-N 463.523 2.193 10 20 JECD O=C(Cn1cccn1)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1817627029 BSUXDHMNUXNXJQ-LJQANCHMSA-N 460.498 2.091 10 20 JECD Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cn1 1823495999 ADOWZLYMMBXSJC-MRXNPFEDSA-N 472.596 2.208 10 20 JECD O=C([C@@H]1CCCS1(=O)=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878455 PKJQUCWDNUKYEO-YJWJXRIHSA-N 492.594 2.014 10 20 JECD Cn1nc2c(c1C(=O)N1CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC1)CCC2 1832899881 MDFWPIMRZRNZKD-SFHVURJKSA-N 489.667 2.002 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3sccc3[nH]1)CCO2 1837134191 FURIVELJJWXADL-JWZSXRADSA-N 499.545 2.130 10 20 JECD CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)cc1 1838991163 XHTXPKNOEYQKJE-MHZLTWQESA-N 490.560 2.112 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)cc1 1839348825 OPKRJHOIRUQYDU-SANMLTNESA-N 465.550 2.143 10 20 JECD O=C(CC1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431746 KPWDNZOXDSDDTF-QFIPXVFZSA-N 452.935 2.402 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1839433316 FSHPKVGTHACYPR-QHCPKHFHSA-N 486.912 2.011 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839434092 NAKXBZMTAKKAED-RQVMVGKASA-N 452.935 2.257 10 20 JECD Cc1nc[nH]c1C(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1843522071 NCKUSYLHEGWOHD-KRWDZBQOSA-N 499.568 2.082 10 20 JECD O=C1CCc2ccc(C(=O)N3CCCC34CN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)cc2N1 1845706163 WYNSDNLNBQJPGE-RMKNXTFCSA-N 463.490 2.219 10 20 JECD COC(=O)N1CCC[C@H](NC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C1 726624912 KBYKVEONGZCMAP-AWEZNQCLSA-N 478.483 2.062 10 20 JECD CN(CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Cc1ccco1 727239098 CCASHUFCKYBXTK-ZDLGFXPLSA-N 459.549 2.458 10 20 JECD CCOC(=O)C=c1sc(=Cc2ccc(N(C)C)c(F)c2)c(=O)n1CC(=O)Nc1cccc(F)c1 727654632 PFFMJMDRUPCLMX-UHFFFAOYSA-N 487.528 2.065 10 20 JECD Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C)n1-c1cccc(C(C)C)c1 728699413 UJTBHEUEXYVTGP-GOTSBHOMSA-N 459.612 2.445 10 20 JECD CC[C@@H](NC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)c1cccc(S(N)(=O)=O)c1 729230823 OVVVYQBBFYQDJJ-HSZRJFAPSA-N 489.642 2.305 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1F 731409121 LTBYSQUQUWCFOF-UHFFFAOYSA-N 450.536 2.177 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCC(NC(=O)c4ccsc4)CC3)CC2)cc1 742928555 VQFUBWRFEXSWEP-UHFFFAOYSA-N 471.627 2.483 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NC3CCN(C(=O)c4ccoc4)CC3)CC2)cc1 742940459 VIRBLZYBEHQPIA-UHFFFAOYSA-N 455.559 2.014 10 20 JECD CN(C)c1ccc(CNC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1F 746722235 OWPQXLMCXKDQFR-GOSISDBHSA-N 464.563 2.348 10 20 JECD Cc1cc(C(=O)[C@@H](C)OC(=O)Cn2ccc(=O)n(C)c2=O)c(C)n1-c1ccc(OC(F)F)cc1 915399021 ZFVIZMMMXKSNFT-OAHLLOKOSA-N 475.448 2.371 10 20 JECD CCN(CC)c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 916674194 RQTTVHHSYVTRID-IBGZPJMESA-N 494.639 2.320 10 20 JECD C[C@@H](C(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1)n1cccn1 918285077 WNZNIOPSQKCBAB-KRWDZBQOSA-N 494.527 2.313 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 918429616 MFPVPZMVTICDIK-UHFFFAOYSA-N 488.610 2.117 10 20 JECD CCOC(=O)c1ccc(N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)nc1 919791620 AFSUOYMZKXSTLP-UHFFFAOYSA-N 453.543 2.127 10 20 JECD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 920881998 UKYWLQYAFGWHDY-CRICUBBOSA-N 466.538 2.176 10 20 JECD CN1CCN(Cc2cccc(CNC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2)CC1 1115976650 NPQAQWGKCFZQRT-DEOSSOPVSA-N 478.641 2.135 10 20 JECD CCn1nc(C(C)C)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777850621 BSRDPEMSXSWHRA-NTKDMRAZSA-N 471.558 2.274 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)C1 1780667853 BVVYKGPWMCJSFF-FQEVSTJZSA-N 451.401 2.269 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1781021286 LTKAURCCEQDIMX-JOCHJYFZSA-N 483.949 2.108 10 20 JECD Cc1cc(C)n2ccc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3cc(O)nc(O)c3)C4)c2n1 1781435053 TVULJIFOTPZUFF-KBMIEXCESA-N 479.537 2.199 10 20 JECD O=C(CSc1ccncc1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003490 KJEKXYSRPWKCLH-NRFANRHFSA-N 463.943 2.382 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)CCOc1ccccc1)CCO2 1785508538 HKRHHXCCCJLUQY-CFSVISAESA-N 468.506 2.116 10 20 JECD N[C@@H](Cc1cscn1)C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1788536126 VOWUTWKWVRAOSN-INIZCTEOSA-N 489.648 2.007 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)CCNC(=O)c3ccc[nH]3)CCC2)cc1 1792314083 QOHRZVRZAHWHFG-UHFFFAOYSA-N 499.618 2.129 10 20 JECD O=C(Cc1ccc(Cl)c(F)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1792754362 JWBVAZQVINMHCB-XHNJZIHCSA-N 498.942 2.404 10 20 JECD C[C@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796480747 HNKLSOCXJJVKHK-NRGSMNHXSA-N 492.551 2.387 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccs1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480857 XGZQLCCZPCJGDT-GPVSGQMNSA-N 466.563 2.063 10 20 JECD COc1c(Cl)cccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796482754 WQQUSLQWPPQVDN-MFKICJERSA-N 496.951 2.345 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc2ncncc2c1 1797469794 XYIFZSBWUPQPCJ-CWPLJXCYSA-N 468.897 2.211 10 20 JECD CC(=O)N/C(=C\c1ccco1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1800600810 FNJQFPPCOCNGSY-QRSPBAHBSA-N 489.532 2.188 10 20 JECD COC[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808464102 JGDXZRDLXIUYJV-GWJPWWOOSA-N 463.538 2.163 10 20 JECD O=C(c1cnc2snnc2c1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810546314 CJXAKMVPJOQZRL-UHFFFAOYSA-N 454.512 2.051 10 20 JECD O=C(/C=C/c1cnc[nH]1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813299018 ZQAVRBNURJFAMC-XRLJSCNCSA-N 483.532 2.317 10 20 JECD Cn1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)cn1 1816451294 SLXUNFVUGNRUNL-BVBGJJFLSA-N 452.471 2.279 10 20 JECD C[C@H](Nc1cccnc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1817329374 RGUBRLISFNYRBL-BBRMVZONSA-N 487.611 2.158 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cnnc4ccccc34)sc2C1)c1cc(O)nc(O)c1 1818182976 INDOIABCBXQFBO-GFCCVEGCSA-N 462.491 2.432 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)CC2)c1cc(O)c(O)c(Cl)c1 1823712722 VOJMBBYORGSWNK-MEBBXXQBSA-N 485.971 2.011 10 20 JECD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1824175537 SNTOAUVQXIXZTB-YQVWRLOYSA-N 459.543 2.315 10 20 JECD C[C@H](Cn1ccnc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1826835595 BQGUECRNFGPUSW-UAXQYSOPSA-N 483.550 2.418 10 20 JECD NC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)c1ccccc1 1826980532 GWEIXOLCKLPQMI-PMACEKPBSA-N 488.679 2.209 10 20 JECD CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1834753430 KGYPNOUFDYLYJY-OPERUZJLSA-N 496.560 2.467 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CC1)c1cc(O)nc(O)c1 1834989027 ZBZLDOYXZUPSMC-UHFFFAOYSA-N 460.481 2.270 10 20 JECD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)C1 1841338222 CWEDZRXYBFQBCN-RBUKOAKNSA-N 480.565 2.352 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)C1 1845836892 PXKAZAWHSKQCLB-FPOVZHCZSA-N 485.968 2.204 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)C2=COCC2)C1 1846709327 YAYYPXONNWTLJP-GOSISDBHSA-N 487.553 2.041 10 20 JECD O=C(c1cnc(C(F)(F)F)cn1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038877 KZYGQTRXEBYZTP-HWKANZROSA-N 464.400 2.143 10 20 JECD O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 105524175 SCBYNQGALCAUOW-OALUTQOASA-N 474.469 2.119 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCN(C(=O)c4c(F)cccc4F)CC3)CC2)cc1 303210590 QYZOLEFSEFTFIP-UHFFFAOYSA-N 458.509 2.080 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)CC2)cc1 743287197 WIVDXMXVGZDTKY-UHFFFAOYSA-N 473.599 2.179 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cn(-c4ccccc4Cl)nn3)CC2)cc1 746903901 ZYQBPZMFPRSXPL-UHFFFAOYSA-N 455.902 2.435 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 750354939 UEGSRHKYIBQNTB-UHFFFAOYSA-N 468.945 2.384 10 20 JECD Cc1oc2ncn(C)c(=O)c2c1C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 750517528 KQUNFFHNMCCSPC-UHFFFAOYSA-N 471.425 2.406 10 20 JECD NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 913361254 OZVZQZQIZUJCBJ-AYYGCFCKSA-N 481.621 2.139 10 20 JECD CN(CC(=O)NCc1ccccc1CN1CCCC1=O)Cc1ccc(N2CCOCC2)cc1 917020461 ODUWBTLWTFQDAZ-UHFFFAOYSA-N 450.583 2.394 10 20 JECD COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 918139416 COBVVQYCXSXNQL-KBPBESRZSA-N 451.520 2.025 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCCS(=O)(=O)NCc3ccccc3)cc2F)C[C@@H](C)O1 918217016 WXTXIYGLKFOOQE-QZTJIDSGSA-N 478.590 2.358 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1cccc(Cl)c1-n1cncn1 918442185 ARGLOTINEIMSRL-UHFFFAOYSA-N 468.945 2.384 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cnn2ccncc12 1778684443 NRCKAVMJVGQUGX-AUSIDOKSSA-N 485.928 2.235 10 20 JECD CCN(C)[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1781461040 ZEKGGVWZHHMQLB-JPEVHGAISA-N 453.967 2.219 10 20 JECD CCOC(=O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1783229848 FGSNLGAHUPESPT-UZUQRXQVSA-N 482.961 2.468 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnnn4C)C[C@@H]32)cc1 1790126164 AIBZNEUWKXXMSA-RRPUWOKSSA-N 462.554 2.130 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4ccccc4O3)C[C@@H]21 1792218037 NQGOREAAKZMPCS-QKUKWNSFSA-N 494.544 2.190 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1c[nH]c2cnccc12 1797564194 IVRXHNBCGGNHDM-DBWKPXFBSA-N 456.886 2.145 10 20 JECD Cn1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)cc2c[nH]c3nccc-3c21 1799171390 OFQRJZZREIWZPZ-MUJYYYPQSA-N 460.494 2.378 10 20 JECD Cc1nc2ccccn2c1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1809066261 POLWHJGCXBTNDO-UZUQRXQVSA-N 472.505 2.477 10 20 JECD CC[S@](=O)CCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1810126148 ZJHCFNLTWDDQOM-CNDPYNIESA-N 487.578 2.076 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810281829 HHTQQNWYBMXAQW-GAJHUEQPSA-N 489.532 2.237 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2nc3ncccn3n2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811804268 UHVOBNWGHSUEON-KDOFPFPSSA-N 493.911 2.217 10 20 JECD CN(C)C(=O)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1814564225 YIUJTWBHJMZPOD-CQSZACIVSA-N 464.910 2.051 10 20 JECD COCCOCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1817050066 OWPAEJPDSQHLIY-OAHLLOKOSA-N 452.895 2.443 10 20 JECD CN1CCCC[C@@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361733 DAGMWCPLJAJICP-DNVCBOLYSA-N 480.594 2.332 10 20 JECD C[C@](O)(C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)C(F)(F)F 1817363722 MAUXUEWXPDCBNC-GIPWTMENSA-N 495.483 2.161 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccnnc3O)sc2C1)c1cc(O)c(O)c(Cl)c1 1821102546 TUAQQFOTVIFWQV-SECBINFHSA-N 461.887 2.243 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccc(O)nn2)CC1 1831116210 PTTGHRCJERKZGH-YXOJNZSOSA-N 498.536 2.011 10 20 JECD CCc1oncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898274 IQWOYHNFCBMOGH-MRXNPFEDSA-N 464.613 2.331 10 20 JECD O=C(c1ccc2nccn2c1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902692 RDGPNLKIJITBFC-GOSISDBHSA-N 485.635 2.428 10 20 JECD COCCCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833243586 ZTMLIKCGHHEYAB-UHFFFAOYSA-N 453.967 2.363 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C(Cl)(Cl)Cl)CC2)CC1)c1cc(O)nc(O)c1 1834987209 HHXHKZVVSMMPPL-UHFFFAOYSA-N 465.765 2.048 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccn(C)n4)C3)C2)cc1 1839348696 HCKAJRGTMCXQEV-AREMUKBSSA-N 477.565 2.211 10 20 JECD CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251081 TYGILOBZEGHSQP-QOKNQOGYSA-N 472.542 2.098 10 20 JECD O=C(c1cccc(C(F)(F)F)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055168 CFFXOTCBTXCBLJ-UHFFFAOYSA-N 457.499 2.383 10 20 JECD COc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)c1O 727762233 GFNPBDXOBMSENC-OAHLLOKOSA-N 454.932 2.442 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 728945630 CMVGUFRIJVRWJZ-CRAIPNDOSA-N 463.556 2.419 10 20 JECD COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3ccn(-c4cccc(F)c4)n3)CC2)cc1 729782651 QJDURKXTGWFLPC-UHFFFAOYSA-N 472.542 2.284 10 20 JECD CCOC(=O)c1c(NC(=O)CCN2CCN(S(N)(=O)=O)CC2)sc(C)c1-c1ccccc1 862525970 JNQGZTRXWPQQOD-UHFFFAOYSA-N 480.612 2.050 10 20 JECD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 914456246 STWXDPMTQGXFSD-UHFFFAOYSA-N 496.589 2.309 10 20 JECD CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 915029913 KSZLYYWYBSADLY-UHFFFAOYSA-N 482.470 2.101 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(CCNS(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1 917712678 QGADDJQZZUITTD-IAGOWNOFSA-N 463.575 2.461 10 20 JECD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)ccc21 918140164 JRMGRPNLVZRKJC-HUUCEWRRSA-N 454.502 2.392 10 20 JECD COc1cc(C(=O)NCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc(OC)c1OC 920890232 QAVIKRZXFWFQIX-INIZCTEOSA-N 457.527 2.156 10 20 JECD Cc1ccc(NCCC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)c(C)c1 1779116577 LZZOAHOAKUEADC-DEOSSOPVSA-N 454.527 2.055 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc2c(c1)CNC2=O 1779159305 QEKPFZKWWQNRDW-CJFMBICVSA-N 499.951 2.436 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1782007155 KZVBPPRIIJOWJP-IBGZPJMESA-N 456.833 2.100 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CSc4nc[nH]n4)C3)C2)cc1 1784392138 HXRNKXWSTSHRCA-DEOSSOPVSA-N 480.594 2.448 10 20 JECD COc1ccc2[nH]cc(/C=C/C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)c2c1 1787295275 BHNHRUQBXGCKNA-NVZXKRJNSA-N 492.532 2.289 10 20 JECD COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)cn1 1794950035 BBSKTYFZOLLPSI-IRJINJETSA-N 475.549 2.410 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2ccccc2C1 1801845769 QRJWSSZCJXRWTF-OKYOBFRVSA-N 457.621 2.290 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)[C@@H]1COc2ccccc2O1 1804199070 ZMJSURHXOYBVQS-ITSWEJNFSA-N 476.489 2.047 10 20 JECD COC(=O)CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807997878 GEUKEIQZKNJRNK-SBUREZEXSA-N 470.526 2.331 10 20 JECD Cn1cc2cc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)ccc2n1 1807998739 FJFGHTYEBGUHSX-SBUREZEXSA-N 472.505 2.408 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnco2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808463330 CGTWKZVCOVNKRQ-VGSWGCGISA-N 458.478 2.182 10 20 JECD CCOCCC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808470265 VGSWSNGAEQYZSZ-NTKDMRAZSA-N 463.538 2.307 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2ncncc2c1 1809916807 KKMWFTDERZKPLO-GAJHUEQPSA-N 470.489 2.464 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)N1C[C@H]2C[C@@H]2C1 1810166779 WSPAHEQGZDLOBI-XQRJAINGSA-N 492.576 2.258 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CSc2nc[nH]n2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810728 WXZCLNVMTLXCQU-SCLBCKFNSA-N 488.957 2.376 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@H]2CCCOC2)[C@H]1c1cccnc1 1814166849 ULMILUFVSMUSGU-TZWPEZGDSA-N 467.522 2.344 10 20 JECD Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c(O)c1 1814192900 YFFFBGUYRUNKFF-IIBYNOLFSA-N 484.603 2.276 10 20 JECD Cn1ccnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1816550842 YBASDUMYMUXBTB-SFHVURJKSA-N 460.498 2.242 10 20 JECD CC(C)(C)n1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cn1 1816721313 JEGRBCARXSXNKZ-ZDUSSCGKSA-N 456.528 2.440 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cc2cncnc2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146079 RMOOMWKXPGOZQY-FQEVSTJZSA-N 472.509 2.227 10 20 JECD CC(C)n1nccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823500261 YSLNNLZRCKFMDG-CQSZACIVSA-N 475.600 2.353 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(CO)on1)CC2)c1cc(O)c(O)c(Cl)c1 1823712299 CUOCKRWCOAPLSW-SECBINFHSA-N 464.887 2.228 10 20 JECD O=C(c1cccc(N2CCOCC2)n1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427112 GDPTVJNXSMKUKR-OAQYLSRUSA-N 495.580 2.272 10 20 JECD O=C(c1cc2n(n1)CCCO2)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428485 QTLISPJWHJEJNU-GOSISDBHSA-N 455.515 2.019 10 20 JECD O=C([C@@H]1CCOC1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717761 XGHWQFYARHLCIA-KNQAVFIVSA-N 452.555 2.436 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cn(C)cn2)CCO3)cc1 1834448578 YEYVEKYRUKJAPB-SANMLTNESA-N 477.565 2.211 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cc(O)nc2ccccc12 1835334408 NZKCAJLLEBGBNY-UHFFFAOYSA-N 491.548 2.246 10 20 JECD O=C(/C=C/c1cc2ccccc2o1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836418504 YBPPKNHTOGDCDN-JOXKVKLASA-N 479.489 2.022 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC[C@H]3CCCC[C@H]31)CCO2 1836701826 CCJAOKLEFMJCOD-ILDDTBCLSA-N 473.570 2.169 10 20 JECD Cc1nc(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)co1 1837477616 XIIKHTVWBHWQEE-UHFFFAOYSA-N 479.537 2.388 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)nc1C 1839431623 DBSDSHTVDWLAGZ-HSZRJFAPSA-N 475.929 2.147 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ccc(Cl)nc2F)C1 1842143263 IDCIPCAWPKZQRS-UHFFFAOYSA-N 455.877 2.484 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccc(OC(F)(F)F)cc2)C1 1845317725 FCGZGZXJLIHVRE-UHFFFAOYSA-N 473.498 2.263 10 20 JECD C[C@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 14077116 NOZTZKRSUVZREQ-QWHCGFSZSA-N 489.933 2.306 10 20 JECD Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C)n1-c1cccc(Br)c1 728699461 VHIZYSHMKBNUBZ-WOJBJXKFSA-N 496.427 2.084 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)CC2)cc1 832250958 NSDSEPLGHYAAKV-LJQANCHMSA-N 486.638 2.483 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cccc(CN4CCCC4=O)c3)CC2)cc1 915744086 WKHFCBIVSJOFMM-UHFFFAOYSA-N 493.608 2.085 10 20 JECD O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 917380257 YQJHZVBXYRNYIU-MRXNPFEDSA-N 498.521 2.290 10 20 JECD CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 918462988 FQZMAPRPZNZIMB-HXUWFJFHSA-N 479.581 2.029 10 20 JECD O=C1N[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CS[C@H]1Cc1ccccc1F 918633865 PQUBOJAVXYYIOE-FPOVZHCZSA-N 461.534 2.261 10 20 JECD CC(C)(C)N1C[C@H](C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1=O 919699713 YKYHTUUUQDMIFI-GOSISDBHSA-N 454.550 2.206 10 20 JECD CCN1C(=O)C(=CNc2ccc(S(=O)(=O)NCc3ccco3)cc2)C(=O)N(CC)C1=S 920974517 OPMVEPVGWLHJLR-UHFFFAOYSA-N 462.553 2.049 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cc2[nH]ccc2s1 1778732124 GNQVBZOEDWQHRP-VGOFRKELSA-N 456.524 2.477 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1Cc3ccccc3O1)C2 1783222023 FHXKUKMEUMLKBJ-VLQISITRSA-N 494.544 2.334 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)C[C@H]1OCCc3ccccc31)CCO2 1785503233 DKRZZSJTKLKZKF-YUZVDCSRSA-N 494.544 2.351 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(Cl)s1)CCO2 1785507769 VWIDJABXCSDTOE-WLMDGNKMSA-N 465.915 2.070 10 20 JECD CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)cn1 1787537187 BJNHTYVBQSBLPU-HARLFGEKSA-N 475.549 2.030 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3cnn4ccncc34)CCC2)cc1 1792315207 PNBZUZQYKAULGL-UHFFFAOYSA-N 480.575 2.337 10 20 JECD CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)CC1 1792605438 ZHOODQRPDOMFMG-BJWYYQGGSA-N 492.548 2.484 10 20 JECD COc1ccc(/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)c(OC)c1OC 1796600956 KSYMLHINVRBUGA-VYMNDLDVSA-N 483.521 2.484 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(F)(F)F)c[nH]1 1797016860 KZYUNKHIPDLCNH-ZSBIGDGJSA-N 460.503 2.146 10 20 JECD Cc1nc2ccc(F)cn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799768429 YPCDFCXXGYPADW-HBCWATKFSA-N 488.903 2.363 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1sccc1F 1803858253 IDRVMRJATHAEKI-CXAGYDPISA-N 478.596 2.462 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)on1 1805708680 PNIDRBVJYBKSCM-WZONZLPQSA-N 472.505 2.491 10 20 JECD CC(C)(C)NCC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1807094555 AQMNKIDEHMRPEP-DVECYGJZSA-N 476.581 2.268 10 20 JECD O=C(NC[C@H]1CCN(C(=O)COCc2ccccc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992522 BYFGHEACEJTLKP-NTKDMRAZSA-N 462.506 2.424 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n(C(F)F)n1 1811519216 QGLXGSNOAAZHSN-LIRRHRJNSA-N 472.452 2.421 10 20 JECD CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811811047 YYMZYPWDXYLDJA-GZRFBZBPSA-N 472.929 2.087 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1814197010 PROCXSYXDVMFAR-BTCOZLQPSA-N 489.532 2.026 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)C1(O)CCC1 1817357068 KUJVICHZTIFCPG-HUUCEWRRSA-N 481.578 2.399 10 20 JECD COC(=O)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cn1 1817845323 JYZUCMKCVYJMMI-INIZCTEOSA-N 466.454 2.017 10 20 JECD CSCC[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818147704 FGXOUFORSHHSPY-OALUTQOASA-N 484.582 2.309 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ncccn2)[nH]n1 1823476838 QOVVGUNLOHTRPQ-BVBGJJFLSA-N 464.482 2.265 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ccc(F)cn3n2)CC1 1831047250 RYBRSZBZWCEZKL-KRWDZBQOSA-N 468.489 2.222 10 20 JECD CC(=O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896393 GMNKQFSTKQRBRA-MRXNPFEDSA-N 453.630 2.082 10 20 JECD C[C@H](Cc1ccco1)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988491 YLDUXYIKVZQJFM-MRXNPFEDSA-N 456.543 2.150 10 20 JECD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NNC(=S)Nc1ccc2c(c1)OCCO2 17450295 MWSGXXSKIZRQEU-UHFFFAOYSA-N 479.540 2.464 10 20 JECD CCOC(=O)c1c(S(=O)(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)n[nH]c1C 727244629 FHMPFPYVRUDALI-UHFFFAOYSA-N 470.554 2.223 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3sccc3S(=O)(=O)C(F)F)CC2)cc1 731005542 RGUGUWKRVWLXQQ-UHFFFAOYSA-N 459.540 2.305 10 20 JECD C[C@@H](NC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1)c1ccc(N2CCOCC2)cc1 731284035 LUAHQXBUOOBDQT-HXUWFJFHSA-N 483.588 2.481 10 20 JECD CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 746507689 GYQMUWNJUDPQQV-GOSISDBHSA-N 482.624 2.376 10 20 JECD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 746798447 HDDRQJMVCMWEES-UHFFFAOYSA-N 477.558 2.395 10 20 JECD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(N4CCCS4(=O)=O)cc3C)cc2)CC1 857494125 JJLAHDNOHRHZAT-UHFFFAOYSA-N 470.595 2.133 10 20 JECD CON(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1Cl 917710012 YYNDQDFATOGLNU-UHFFFAOYSA-N 471.938 2.428 10 20 JECD O=C(COC(=O)c1ccc(N2CCOC2=O)cc1)NCc1ccc(N2CCOCC2)c(F)c1 919142450 ILGSBHZCIWDZNG-UHFFFAOYSA-N 457.458 2.092 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)s1 1783245168 IDJONQCLYXCKSV-FOIQADDNSA-N 467.638 2.044 10 20 JECD O=C(COc1cccc2ccccc12)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1785011446 CLVSMTZSIFAKDX-XJABCFGWSA-N 477.517 2.318 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1c1ccccc1)CCO2 1785510260 IXXRHSXKUSAMMQ-OOTLYJOZSA-N 464.518 2.450 10 20 JECD CSc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1789072432 FLBFFSGRNMFVRG-OTXCBPGVSA-N 485.562 2.227 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nnsc3C3CC3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243358 MMSXOODRGUTFCX-RBOXIYTFSA-N 478.958 2.387 10 20 JECD CC(C)(C)C(=O)Nc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)cc1 1792102166 RFZAXZDPKAARJR-VDGAXYAQSA-N 496.564 2.385 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C13CCC(CC1)CC3)C2)C1=NN(c2ccccc2)C(=O)C1 1796482533 FZIAGRARGCXYPW-OAHRXOEWSA-N 464.566 2.339 10 20 JECD COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1796930935 JMUQGAAWXNGFHX-RISVGRPXSA-N 466.538 2.007 10 20 JECD CN(C)c1cccc(OCC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1804228398 ZGYRDNDGTXJJFK-AVRWGWEMSA-N 491.548 2.352 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1804345816 LUEIPNYMOGKTMC-PYNLGSQFSA-N 474.564 2.107 10 20 JECD O=C(CCN1CCOCC1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1806954197 KSWUBUVTDVDCDK-VGOFRKELSA-N 488.972 2.188 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2c[nH]c3ncccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996449 STCVRKDORATLKL-VFNWGFHPSA-N 458.478 2.398 10 20 JECD CCO/C=C/C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808468868 FQGZUTQLXDJWHR-UFWXTQSWSA-N 461.522 2.431 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1808816583 RMQMLGYIKSNORN-RADWXHQJSA-N 498.630 2.415 10 20 JECD O=C(/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)NC1CC1 1811805840 DLVGWMLUXDJEQI-CDNAXBDKSA-N 484.940 2.301 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)n1cncn1 1813401562 DUVNTRCZZLPHHS-FRIZHTMISA-N 470.917 2.319 10 20 JECD Cn1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c(C(F)F)n1 1816725039 IPWBOYZKXYKCSK-SECBINFHSA-N 464.454 2.160 10 20 JECD Cc1ncncc1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361777 GJCXDABSDFPCCJ-CQSZACIVSA-N 475.534 2.260 10 20 JECD O=C(/C=C/c1cccc(O)c1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1825357143 ODSVVCVPGHELAQ-LVDDQXARSA-N 488.616 2.334 10 20 JECD O=C(/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)NC1CC1 1828793986 LIKXDTHWVPMQLH-UPCOZZNVSA-N 483.565 2.271 10 20 JECD CC[C@@H](C)[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833498963 JKRIIUBWCSJRRY-JLTOFOAXSA-N 467.994 2.343 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3(c4ccc(O)cc4)CC3)CC2)CC1)c1cc(O)nc(O)c1 1834986031 VARAAMXQDOCERJ-UHFFFAOYSA-N 480.565 2.115 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)cc1)CCO2 1838959627 QLHAFVVCEANGAZ-VWLOTQADSA-N 496.951 2.203 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)cc(C(F)(F)F)c1)CCO2 1839298238 ZGTHVQSIQFBQTD-NRFANRHFSA-N 499.417 2.035 10 20 JECD O=C(CCc1cccc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840267442 URCLFTRKCJWNJJ-XMMPIXPASA-N 490.940 2.160 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)CCO2 1840767649 SPRQMUKDUMKROU-OAQYLSRUSA-N 499.417 2.035 10 20 JECD CC(C)OCC(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843330651 KPHLGSWIOYYNRY-HXUWFJFHSA-N 474.602 2.333 10 20 JECD O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055250 FSSCYUNWVATTOQ-UHFFFAOYSA-N 490.010 2.407 10 20 JECD CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 914470924 YRYWIIYALUPEBC-UHFFFAOYSA-N 496.589 2.309 10 20 JECD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccc(N4CCSCC4)cc3)C2=O)cc1 917387261 ZVNNXYMHDQAKLS-XMMPIXPASA-N 468.579 2.332 10 20 JECD CCN(CC)c1ccc(CNS(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)cc1 917916321 ISKVUJULJGYVQR-UHFFFAOYSA-N 457.593 2.412 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCNS(=O)(=O)c3cccc(Cl)c3)cc2)C1 918373135 STXHPVOYXVAAMX-QGZVFWFLSA-N 479.002 2.027 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(-n2cccn2)c(F)c1 918443543 WLYMGRSGGBUXFB-UHFFFAOYSA-N 451.502 2.475 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cnn(C)c3-n3cccc3)cc2F)C[C@H](C)O1 919056427 FZDUAMTZFRQQSU-IRXDYDNUSA-N 469.517 2.437 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CCCCN3c3ncccn3)cc2F)C[C@@H](C)O1 919075331 JJJYRQWVWHGEHT-KGVIQGDOSA-N 485.560 2.448 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1778542700 RRUNEZDQDKYEJA-JOCHJYFZSA-N 474.876 2.295 10 20 JECD O=C(CS[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1779088186 LCWSPDZGQBTJBV-GHTZIAJQSA-N 470.975 2.455 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)N4CCN(C)CC4)C3)C2)cc1 1781097837 ZFCDLRUECLHEGA-NEKDWFFYSA-N 493.652 2.174 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4cccn4)cc3Cl)C2)C1 1781487620 GKGGFTYWOCZCGY-QHCPKHFHSA-N 483.912 2.089 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)ccc3F)C2)C1 1781607762 RUECZLINGMCGBP-OAQYLSRUSA-N 450.850 2.353 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3cc4ccsc4[nH]3)C2)C1 1782286050 SOQCHJCURWWTJA-DEOSSOPVSA-N 477.546 2.466 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1csc2c1CCCC2 1788315915 RNXDSPBIJUXQJW-QRTARXTBSA-N 493.676 2.081 10 20 JECD Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)oc2ccccc12 1792239226 YTFXLEXTMMYSRD-ZVZYQTTQSA-N 487.603 2.195 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)C1CC1 1793021684 YOBFFAJGVWULLK-PLACYPQZSA-N 484.597 2.322 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796482656 LUNSAMNTDPQSRB-IOXNLNJLSA-N 472.545 2.173 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccc2nonc2c1 1796934612 QBJBEIWTKXIYCV-VBUUOAMHSA-N 458.478 2.268 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cc2cccnc2nc1O 1796934726 HFWJTLDEMHCBIK-GGPHIMKMSA-N 484.516 2.380 10 20 JECD CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1807078570 JAFYXWQDKRHSCW-KSSZOTGVSA-N 468.554 2.291 10 20 JECD CC(C)Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n(C)n1 1807995083 XLFFVPBFFDDHBT-UZUQRXQVSA-N 478.553 2.453 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2CCC(O)CC2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470887 ZSTQGASKTOSZGJ-NOZZUHLVSA-N 489.576 2.431 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811802730 AILKFZUJYSBSLT-SJKOYZFVSA-N 486.872 2.411 10 20 JECD O=C(COc1cccnn1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1813388644 JOJZNDMLOWXCGA-QVKFZJNVSA-N 483.912 2.335 10 20 JECD C[C@H](Oc1ccccn1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1813406547 ITIBIORIIDZQIZ-GIMINZRKSA-N 463.494 2.070 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cccc3nc[nH]c23)[C@@H]1c1cccnc1 1814189686 WBYCVJLQRAMXGK-QVKFZJNVSA-N 494.602 2.138 10 20 JECD CCc1oncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816607753 HURKHCKWCFKVTB-CYBMUJFWSA-N 462.557 2.126 10 20 JECD CC(=O)Nc1ccccc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728188 MLZXPGYSUZIDQG-CYBMUJFWSA-N 467.507 2.447 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccc(-n2cnnc2)cc1 1817206557 USURAEKUSFGJND-SFHVURJKSA-N 474.481 2.416 10 20 JECD O=C(COc1cccnc1)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364110 MWSUFZDMRFHUSB-OAHLLOKOSA-N 490.545 2.322 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccc4cnccc4n3)sc2C1 1818199028 RSKLZLLXEGJVHC-GFCCVEGCSA-N 498.615 2.172 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccc4ncncc4c3)sc2C1 1819192770 HBQOGDICMJPHMP-CYBMUJFWSA-N 498.615 2.172 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)N1CSCSC1 1819964247 MPCRAPHBRPZOFL-PWSUYJOCSA-N 481.625 2.218 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CNC(N)=O)CC3)cc1 1823439639 WIIAXLDYUWJROE-INIZCTEOSA-N 466.567 2.445 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)c2cncnc2)[nH]n1 1823477034 XVLBXWRENBYTMK-BIENSFFJSA-N 450.455 2.336 10 20 JECD C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1824528249 WJRNBWQMQDBFRN-NWLOJRJCSA-N 494.610 2.117 10 20 JECD CN(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)nc1 1825598308 AWALUNOHQSJNEA-LJQANCHMSA-N 489.667 2.241 10 20 JECD CCOC(=O)C1(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)CC1 1828197824 MAZSAVCJRHPVET-GBVBUYCNSA-N 487.534 2.229 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3C=CS[C@@H]32)CC1 1831159798 KEOJDNNILLMSKH-OHQAAIJDSA-N 465.666 2.342 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3cccnc3n1)CCO2 1836832518 CJBIDJSPEFEBPW-XMMPIXPASA-N 498.923 2.078 10 20 JECD Cn1cccc1C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1837391744 NQEGFNAWAGXOLO-FNORWQNLSA-N 469.538 2.468 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(F)(F)C3)C2)C1 1839432501 QNJMPGDUGFZXDR-RNODOKPDSA-N 474.888 2.257 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3c3ccccc3)C2)C1 1840881158 GJKUFOGFBOKIMY-KTSIRKNESA-N 494.544 2.077 10 20 JECD CC(=O)Nc1ccc(CC(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1843913336 OMYKBDRPKPZLCT-UXBLZVDNSA-N 465.506 2.221 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)CS[C@@H]2CCCCO2)C1 1844290470 RNVQCNXSAQTYGV-OAQYLSRUSA-N 456.568 2.243 10 20 JECD COCc1nc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cs1 109187228 QHIJLMYSDFHHHQ-UHFFFAOYSA-N 463.537 2.384 10 20 JECD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 728888950 KXYQRJPGPJJCBC-HXUWFJFHSA-N 456.587 2.402 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCS(=O)(=O)CC4)C3=O)c2C)cc1C 729153967 XHLVTLZXRJCLRB-UHFFFAOYSA-N 457.552 2.393 10 20 JECD C[C@H](c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1)N1CCOCC1 729785155 VIYOTMOLVIUORW-DENIHFKCSA-N 493.608 2.036 10 20 JECD COc1ccc(N2CCN(C(=O)CNc3cccc(C(=O)N4CCC[C@@H](O)C4)c3)CC2)cc1 750875137 MPLVKEWOUUORSC-JOCHJYFZSA-N 452.555 2.053 10 20 JECD Cc1nn(C)c(=O)c(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1C 878587717 WNCLJKPPEZVAAT-CQSZACIVSA-N 459.458 2.357 10 20 JECD O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCN(Cc2ccccn2)CC1 914431748 CASNMOWTNIEPEV-UHFFFAOYSA-N 497.533 2.454 10 20 JECD CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 917707411 DOZMSUIOXKMBLV-UHFFFAOYSA-N 455.939 2.253 10 20 JECD COCCn1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccc1=O 919581470 STAHOMVXSRQTIR-HNNXBMFYSA-N 474.469 2.454 10 20 JECD CCN(CC)S(=O)(=O)c1ccc([C@H](C)N/C=C2\C(=O)NC(=S)N(CC(C)C)C2=O)cc1 920980296 IAMBIVNIWBPBNE-BRFSQIRFSA-N 466.629 2.151 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccns1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126060 FDTDMNFHCVDUDP-AUSIDOKSSA-N 467.551 2.064 10 20 JECD COc1ccc2c(c1)CC[C@@H](CC(=O)N1CC[C@]3(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO3)C2 1778227430 XDUZCRYAGNUBEQ-QUGAMOGWSA-N 481.549 2.140 10 20 JECD COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c(F)c1 1780900171 XNNXUSHOBPKSRM-WZONZLPQSA-N 459.474 2.082 10 20 JECD COC(=O)c1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1784158792 HDAQESUNRZWFSD-DEOSSOPVSA-N 488.924 2.224 10 20 JECD O=C(Cn1ccc2c(F)cccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1792930195 IBXYZQJRQQQMET-HPZQFMCRSA-N 495.507 2.200 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncn1-c1ccncc1)C1=NN(c2ccccc2)C(=O)C1 1794793722 BFVZOKMXBNPTAW-ZHPFXUNLSA-N 483.532 2.312 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ncccc1C(F)(F)F 1798228293 UUNNSDYQRVFSJO-SKBGBOCVSA-N 493.438 2.134 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C[C@H]2COc3ccccc3O2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994749 ZEMRUUAVTSXPMP-FXJWSJNKSA-N 490.516 2.438 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)COc2cccnc2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808465164 QYTBPDWRECAFLF-RXFWQSSRSA-N 498.543 2.354 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)C1 1809506917 VHUHKHADJRXQOG-IIBYNOLFSA-N 497.552 2.074 10 20 JECD Cc1cnc2c(C(=O)N3CCC4(CCCN(C(=O)c5cc(O)nc(O)c5)C4)CC3)cnn2c1 1810546384 CYNLYUYLTIBRAF-UHFFFAOYSA-N 450.499 2.003 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2onc3ccccc23)[C@@H]1c1cccnc1 1814189968 MLMCBHJCAVRNPG-MGPUTAFESA-N 495.586 2.403 10 20 JECD Cc1onc(-c2ccncn2)c1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816726990 ARBLERUUZRDCIK-LBPRGKRZSA-N 493.505 2.242 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)c3cnn4cccnc34)sc2C1 1818993160 UJDRDQCTGYZUJT-MXPWBENCSA-N 492.517 2.242 10 20 JECD COc1ccccc1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828247467 RSKOPFRPIIKRBA-LLVKDONJSA-N 476.605 2.238 10 20 JECD Cc1cccc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)n1 1829726150 DQKSIWZEMYNRQL-QQHIZMLBSA-N 487.940 2.238 10 20 JECD CC(=O)c1ccc(OCCCC(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)cc1 1841439939 DPKMUSBBDULSON-UHFFFAOYSA-N 489.619 2.112 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2c[nH]c3cccc(Cl)c23)C1 1844146407 TWZOCWGOCKBLBH-UHFFFAOYSA-N 462.984 2.499 10 20 JECD CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@H](CCS(C)(=O)=O)C3=O)c2C)cc1 16573943 SGCNXEZRCWUXSC-LJQANCHMSA-N 461.540 2.031 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(S(=O)(=O)NC4CC4)c3)cc2F)C[C@H](C)O1 725824558 XQKZZBYGASIHJH-HOTGVXAUSA-N 497.614 2.359 10 20 JECD CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1 728878295 WNLJLEXLMNDABS-UHFFFAOYSA-N 452.536 2.339 10 20 JECD O=C(NCCCc1ccccc1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 729525623 JCDHPCWDYVUVQJ-UHFFFAOYSA-N 476.556 2.308 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cc(F)ccc3OC[C@@H]3CCCO3)cc2)C1 730911655 MGDAKDMFJZZQLN-NQIIRXRSSA-N 498.555 2.340 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(=O)n(C)c(S)nc4c3)CC2)cc1 787901587 NHYGRVRQXMDYPC-UHFFFAOYSA-N 467.595 2.173 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)CC2)cc1 915335014 HZWMMUVKZWMNGA-UHFFFAOYSA-N 487.626 2.470 10 20 JECD O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916456867 WVKDMYZWGXQJHF-UHFFFAOYSA-N 468.476 2.413 10 20 JECD CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 917911338 DXJOCSMXFWBTEQ-INIZCTEOSA-N 479.521 2.152 10 20 JECD CC(=O)N[C@H](C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CCCC1 918922344 HZDJABSGTLNEAR-KXNSMUHISA-N 463.550 2.294 10 20 JECD CN(C)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919800289 QWJZDSBAGZYXDG-UHFFFAOYSA-N 477.544 2.263 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1)C2 1783222940 RMHHILWCWLLQFO-YMBATADGSA-N 462.568 2.226 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cc(-c3ccco3)no1)CCO2 1785509032 MXLDSBKXJJHJDU-JIBKAZCMSA-N 481.461 2.208 10 20 JECD COCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C[C@@H]21 1786642477 PENCQVVOGYWJFY-XWGVYQGASA-N 469.582 2.350 10 20 JECD O=C(CCC(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1786687097 JLCXOOWTPFRRIO-WLNPAGQUSA-N 458.433 2.139 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1c(F)ccc(O)c1F 1790213378 FXSPHAUFZOIMMB-KHGQKRPUSA-N 490.459 2.094 10 20 JECD Cc1cc(C)n2ncc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)c(O)c(Cl)c5)[C@H]4C3)c2n1 1790244760 BCHSQELOJXCPRB-VHFSOBRXSA-N 499.955 2.318 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)C1 1790246059 IJJIUJKPTAEHKA-KXCAHRFWSA-N 494.972 2.324 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(Cl)ccnc3c1)C2)c1cc(O)nc(O)c1 1796140333 KTQCDFBCZPEKKU-USGNIVHTSA-N 468.897 2.211 10 20 JECD Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1 1802079331 BHNYOKYEYGBRAE-CPVVTZALSA-N 456.470 2.168 10 20 JECD COCCOCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1806757984 FCBWJDUXSJDFGL-FOIQADDNSA-N 463.918 2.129 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)[C@H]1CCCO1 1807701094 LTYOJLUZFBZYAQ-KPUJLLMDSA-N 453.495 2.097 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C[C@@H]2COc3ccccc3O2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994753 ZEMRUUAVTSXPMP-MVIPISOYSA-N 490.516 2.438 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ncccn2)[C@@H]1c1cccnc1 1814161548 AKLHDAQBOKSJFN-DNSQJKMNSA-N 461.478 2.021 10 20 JECD CC1(C)CC(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)C1 1814193010 ZRMGEBPQOQBOAZ-HNAYVOBHSA-N 460.625 2.384 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)C1CCSCC1 1814239791 VNLJLSOUXWDTLE-LPHOPBHVSA-N 478.665 2.091 10 20 JECD CCOc1cnc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cn1 1816133352 PIDCQPNUYGPWEQ-OAHLLOKOSA-N 453.459 2.024 10 20 JECD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)on1 1817364131 NVTBAGVDDXHUHX-ZDUSSCGKSA-N 464.507 2.458 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)COc2ccc(O)cc2)[nH]n1)c1cc(O)nc(O)c1 1817843463 PFYBFPLDACAMKP-KRWDZBQOSA-N 453.455 2.306 10 20 JECD Cc1cc(C)n(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)n1 1822667901 BYAHIKUORQLLNG-MRXNPFEDSA-N 489.627 2.166 10 20 JECD Cn1ccnc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1826085650 GNKSYLIOEMKXOC-OAQYLSRUSA-N 462.554 2.446 10 20 JECD C[C@@H](Nc1nccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1827660775 XPVKSJUBFPYVBQ-GDBMZVCRSA-N 495.696 2.424 10 20 JECD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)n1ccccc1=O 1828197579 BXFSZOGWOFWVGP-GJTNBUKJSA-N 496.545 2.308 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3ncccc3[nH]1)CC2 1828246589 CWGXWVCQRLSQKV-JTQLQIEISA-N 486.604 2.106 10 20 JECD O=C(c1ccc(F)cn1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898219 GWXUKEDIBSBLJQ-KRWDZBQOSA-N 464.588 2.314 10 20 JECD O=C(COc1ccc(F)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1834964332 WJNGQJYIBNQRGE-HSZRJFAPSA-N 494.903 2.039 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1noc3c1CCCC3)CCO2 1836429773 RHXYXLJUPLMSLO-QHCPKHFHSA-N 491.928 2.002 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)c1ccco1 1847279621 IJNBOFGUFPEIIK-FCIYXJNOSA-N 498.580 2.233 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 106014619 NBSLAHXMTHAJKT-PMACEKPBSA-N 460.600 2.206 10 20 JECD COc1ccc(N2CCC(NC(=O)Cn3c(CS(C)(=O)=O)nc4ccccc43)CC2)cc1 726560579 FWOCULOGKLUQGH-UHFFFAOYSA-N 456.568 2.375 10 20 JECD CCN(C)C(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 729126483 IBMLKHISSYYQRE-UHFFFAOYSA-N 457.502 2.227 10 20 JECD O=C(CN(CCO)C1CCCCC1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 777653194 SNFLNBIWTFECBW-MOSHPQCFSA-N 491.635 2.360 10 20 JECD Cc1cc(C(=O)COC(=O)CN(C)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1 914922706 YMMUCWPARRNYEX-UHFFFAOYSA-N 457.346 2.474 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N(C)Cc3ccccc3O)CC2=O)cc1 917309087 ILYMGZCWVGKOBZ-GOSISDBHSA-N 459.568 2.434 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cn2)CCO1 918117220 IUTABZWXSUIOPO-GHTZIAJQSA-N 466.586 2.008 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 919699617 SPVGRDNWKCHZBV-NRFANRHFSA-N 495.603 2.486 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2)C1 1317963559 HFNKMRVVJXSDNM-IBGZPJMESA-N 454.546 2.419 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3ccn(-c4ccccc4)n3)C2)C1 1780346264 WSVMAMHUWBACDS-QGVYAHRCSA-N 490.516 2.146 10 20 JECD C[C@H]1C[C@]1(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1780621579 KQBSXVOETJTEGC-CIQZPUONSA-N 452.555 2.339 10 20 JECD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1)n1ccnc1 1781119720 WTIOFDLRVYPHDZ-JPEVHGAISA-N 462.934 2.336 10 20 JECD CCN(CC)C[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1781509406 LESBGVLPCNRTET-HUAJJTBBSA-N 489.613 2.308 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1781556655 PIRGJQFERCMMSM-VWLXRYFESA-N 487.440 2.008 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)Cn2cncn2)CCO3)cc1 1781752955 DMRPMINNMRFOKN-SIBVEZHUSA-N 476.581 2.465 10 20 JECD O=C(CCN1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782000920 FLFFSOQYGCEOMR-QFIPXVFZSA-N 451.951 2.071 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003403 IOZWLSQUWCPDGM-NLFFAJNJSA-N 485.968 2.251 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3ccsc3[nH]1)C2 1783246018 NTSCRJUEKNSAJA-QVKFZJNVSA-N 492.648 2.217 10 20 JECD Cc1ccc2c(/C=C/C(=O)N3CC[C@@]4(C3)CN(C(=O)CN3C(=O)CSC3=S)CCO4)c[nH]c2c1 1785666355 SUNRDCVYXUGBFX-ISTCRNMPSA-N 498.630 2.180 10 20 JECD Cn1ncnc1C(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1 1787231807 BUWKIKJRBSIJAB-UHFFFAOYSA-N 457.494 2.356 10 20 JECD CCCC(=O)Nc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)cc1C 1789228124 QZQPMEPKPZWRKB-CUWPLCDZSA-N 496.564 2.447 10 20 JECD C[C@H](Nc1nccs1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790243337 IWZUXCWPEVDXBZ-GWIFVGGISA-N 480.974 2.302 10 20 JECD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790246166 PLDJNWAZQGQBSR-NRJZREQNSA-N 492.956 2.100 10 20 JECD Cc1nccnc1C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792315003 RTFCXBHAMJGIEU-UHFFFAOYSA-N 455.565 2.393 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3cnn4cccnc34)CCC2)cc1 1792315137 ICTZPILEKLBJNF-UHFFFAOYSA-N 480.575 2.337 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cc(C2CC2)on1 1802788031 BYRRIKPNWZXCDX-FOIQADDNSA-N 485.591 2.127 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccc2ncccc2c1 1804333232 IPQZJXDOAVRJEF-BJWYYQGGSA-N 454.577 2.347 10 20 JECD CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1804389762 KASOEQIPZCBHGF-QKPAOTATSA-N 498.671 2.178 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccno1 1805637171 KWWCSPYDDLDCQN-SFFRXTGVSA-N 450.451 2.219 10 20 JECD CSCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1806098914 FPBIDZGCWSSZDX-UHFFFAOYSA-N 457.687 2.467 10 20 JECD Cc1cc(C)n(CCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n1 1807997823 DXXXIHGETXWJPS-WZONZLPQSA-N 464.526 2.111 10 20 JECD CCN(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808469168 IQSXJIGEJUWZGT-FPGHNAPASA-N 476.581 2.221 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(-c2ccccn2)[nH]n1 1810929259 OGOCDDIMNZRJES-MWTRTKDXSA-N 485.504 2.306 10 20 JECD Cc1cnoc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1811242504 WHFAESSHGFFNHC-AVRDEDQJSA-N 472.505 2.491 10 20 JECD COc1ccccc1CC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1812764981 ORVONGWPIFOURD-UUOWRZLLSA-N 462.506 2.459 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CCc2cn[nH]c2)[C@H]1c1cccnc1 1814162962 ZYXMTNPGIMYKFR-DBUITHOJSA-N 477.521 2.274 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)/C=C/c2cccnc2)[C@@H]1c1cccnc1 1814184951 ISRWBOGOCJWANI-KXJNKWKMSA-N 481.603 2.056 10 20 JECD COc1nccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)c1F 1817666344 ZPGOWBYAIXUHIE-CQSZACIVSA-N 456.434 2.378 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147095 PYYCSPANCSLRON-FQEVSTJZSA-N 473.493 2.142 10 20 JECD CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)N(CC)CC 1823497657 XPKHZTXWPHPPHA-JKSUJKDBSA-N 480.660 2.383 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2nccc3[nH]ccc23)[nH]n1 1823498229 OSSWWFUAXCKXMX-OAHLLOKOSA-N 483.579 2.452 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3c(F)ccc(O)c3F)sc2C1)c1cc(O)nc(O)c1 1823635370 AUFMANOZQDZNET-VIFPVBQESA-N 462.434 2.473 10 20 JECD C[C@@H](Nc1cnccn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428116 ISVTXIHYEBEMLT-CRAIPNDOSA-N 454.531 2.017 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)N1C[C@@H]2C[C@H]2C1 1828199567 YXOUODHZGACRRZ-PEQKJJCOSA-N 484.578 2.226 10 20 JECD CCNC(=S)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1831092883 DNWOAWXKEQWTKA-KRWDZBQOSA-N 483.034 2.469 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 1841505767 AGGXKQQDQBAMIE-CSNYQSHPSA-N 491.544 2.069 10 20 JECD CC(C)(C)OC(=O)NCCOCCC(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1841515603 BWZPCRCXTPNMSE-UHFFFAOYSA-N 497.976 2.500 10 20 JECD COC(=O)N(CC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)Cc1ccccc1 1847037430 PYSBQUUSAXZTOM-PKNBQFBNSA-N 495.532 2.289 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CCC(=O)c3ccc4c(c3)OCCO4)CC2)cc1 45229729 DOHAFNJWGFINDX-UHFFFAOYSA-N 468.506 2.321 10 20 JECD Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c(O)c1O 727005270 MHQVHDQHBAAKCY-NSHDSACASA-N 456.904 2.494 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)ccc21 728637547 NHDYARRVGFQQDK-FUHWJXTLSA-N 450.557 2.095 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)c1 731207761 UWOJGCMMZKZQLH-NBGIEHNGSA-N 486.657 2.240 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)CC2)cc1 731270457 LWDLIENWXGTWPB-OAQYLSRUSA-N 465.550 2.439 10 20 JECD CC(C)(C)c1cc(O)c(O)c(CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 731354261 KKKYEUHJXIIBGH-UHFFFAOYSA-N 475.567 2.233 10 20 JECD NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 913361256 OZVZQZQIZUJCBJ-XFNCEPBJSA-N 481.621 2.139 10 20 JECD COc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1OCC(N)=O 917381070 UKESPHWXGIDMNV-UHFFFAOYSA-N 467.444 2.345 10 20 JECD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 917386316 TYBRMPONYKOCBJ-UHFFFAOYSA-N 463.625 2.403 10 20 JECD CC(C)[C@H](CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCOCC1 919783900 XEYDHXYZUXZULO-QHCPKHFHSA-N 485.608 2.098 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3CN3C(=O)CCC3=O)cc2)C1 920344960 VMLVPWNXRSNDCF-IBGZPJMESA-N 463.538 2.359 10 20 JECD CN1CCN(Cc2cccc(CNC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2)CC1 1115976661 NXXZRHXOOGZBJT-UHFFFAOYSA-N 455.578 2.409 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(O)cc3F)C2)C1 1781663081 MDJPPHGYCNUCFU-NRFANRHFSA-N 450.850 2.353 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(N4CCCCC4)cc3)C2)C1 1781710695 AQPRKESJEKQJFH-RUZDIDTESA-N 466.538 2.240 10 20 JECD O=C(/C=C/c1ccc(Br)cc1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783591607 TVELKFUNGOBLLM-PHUOZXCHSA-N 488.338 2.412 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4CCOCC4)[C@H]3C2)cc1 1786747382 XMJKGTOSZZBGKX-RNXOBYDBSA-N 494.636 2.410 10 20 JECD CC(C)(C)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)[nH]n1 1788916377 UCKNMCJBGNGEQF-TVGHNQMJSA-N 484.553 2.131 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCSCC3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245627 STHUGFXPRHWVOM-YEWWUXTCSA-N 454.976 2.488 10 20 JECD O=C(Cc1cccc2ncccc12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1793326346 NXZMIQYYJHTJFQ-VXECKQGCSA-N 497.555 2.160 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)[C@@H]1CCCN1Cc1ccccc1 1796602412 FXXBAHNPGJIEQV-WOZUAGRISA-N 450.539 2.409 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)C1CCN(c2ccccn2)CC1 1796604398 AZZUTDPGFYEBAS-REPLKXPHSA-N 451.527 2.056 10 20 JECD Cc1ccccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1800614379 NMILLSNUODBJAJ-YTRSHDDCSA-N 466.534 2.347 10 20 JECD COc1cccc2[nH]cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CN3C(=O)CSC3=S)C4)c12 1801033026 VDNKMQKZOKCNHC-BTTYYORXSA-N 472.592 2.289 10 20 JECD C[C@H](Cc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802082596 VYQCLADHSXIMKS-LGUJSHFDSA-N 466.534 2.285 10 20 JECD COc1c(Cl)cccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804340007 FNYNVLOTUMJQLC-CLLJXQQHSA-N 468.000 2.461 10 20 JECD O=C(Cc1cccc(F)c1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1806551630 XSKGUPVENHZRRJ-HTAPYJJXSA-N 486.594 2.330 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n(C)n1 1808463263 BDUWSUKGFBEEEZ-NTKDMRAZSA-N 485.548 2.236 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=COCC2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470510 WVTYGBPFSMXRJJ-WZONZLPQSA-N 459.506 2.185 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cc2ccoc2cn1 1812068325 QNOUSKRONPFRRA-IERDGZPVSA-N 495.586 2.403 10 20 JECD O=C(CCc1ncc[nH]1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813274939 ZFWQCKNHNYIZGF-DFBJGRDBSA-N 485.548 2.236 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)COCc2ccccc2)[C@H]1c1cccnc1 1814185558 CPUQVWVDBMGVLS-CVDCTZTESA-N 498.630 2.165 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccn3nccc3c1)CC2)c1cc(O)nc(O)c1 1816725352 HKNWXPBTRVRBPI-CYBMUJFWSA-N 450.480 2.137 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cnc4ccccn34)sc2C1)c1cc(O)nc(O)c1 1818295102 VFWRGYQBDOYGOY-LBPRGKRZSA-N 450.480 2.137 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccccc3)CCCC1)CCO2 1830318576 IIVMSCPUYFBZMG-VWLOTQADSA-N 481.549 2.075 10 20 JECD O=C(Cc1ccncc1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902192 ZMMQJPHEQUYNAQ-GOSISDBHSA-N 460.625 2.104 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1nccc2occc12 1834929060 GNJRSVHHETYMOZ-UHFFFAOYSA-N 465.510 2.133 10 20 JECD Cc1scc(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1C 1836525880 BCAGJDBYVALXPN-VWLOTQADSA-N 496.589 2.228 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)Cc2cccc(OC(F)(F)F)c2)C1 1845936395 AOTITZFKYKJYRP-UHFFFAOYSA-N 487.525 2.191 10 20 JECD Cc1c(N)cccc1C(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 728354220 AENZQQDWJXCUIE-VXLYETTFSA-N 499.570 2.480 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NC[C@H](c3ccccc3)N3CCOCC3)CC2)cc1 742940083 QRDSYXQVTFKUOV-RUZDIDTESA-N 467.614 2.190 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cc(NC(C)=O)c(F)cc3F)CC2)cc1 743368764 DVCWRJINPXZCOK-UHFFFAOYSA-N 489.523 2.199 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccccc3N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 743432434 MFQGBMJJZQBZPL-SFTDATJTSA-N 495.624 2.186 10 20 JECD Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1C 748638457 IUQDEHKINCGNLY-UHFFFAOYSA-N 475.611 2.466 10 20 JECD CS(=O)(=O)CCOc1cccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 750710887 RYUZQYZHUWTVGF-UHFFFAOYSA-N 451.520 2.407 10 20 JECD CCn1c(SCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)nnc1N1CCOCC1 917198094 AJEUXORBDNNTOV-CALCHBBNSA-N 492.621 2.296 10 20 JECD COc1ccc(N2C[C@H](C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2=O)c(OC)c1 917833458 OHVWROOCYQKISL-RBUKOAKNSA-N 480.565 2.075 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC3CCN(C(=O)c4ccco4)CC3)cc2)C1 918005906 QLSCNLKLEAGLRZ-GOSISDBHSA-N 453.543 2.085 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)N(C)Cc2ccccc2O)c1 918444678 YOICTXMKBYCLNM-UHFFFAOYSA-N 462.572 2.086 10 20 JECD COc1nc(C)ccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1779850813 VUVSPAZXCKTNMD-DWRUAZSGSA-N 497.548 2.356 10 20 JECD COc1cccc2c1C[C@H](C(=O)NC[C@@]13CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C3)CC2 1781670215 FYORDFHRGIBKSX-YXLNAYJUSA-N 495.576 2.434 10 20 JECD Cc1nn[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C[C@@H]21 1787184906 BQPIBZQBHFSZSX-BVSLBCMMSA-N 462.554 2.428 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnc4ccccc4c3)C[C@@H]21)c1cc(O)nc(O)c1 1787292650 ZWFYILAXTURQFR-VCOUNFBDSA-N 476.533 2.267 10 20 JECD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1)n1cccn1 1791883911 PNYLHBKQLGTAGF-AWEZNQCLSA-N 457.581 2.439 10 20 JECD COCCn1nccc1C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792315116 DYIDMSNWVNKVFC-UHFFFAOYSA-N 487.607 2.138 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc[nH]n1 1793737957 UOZOZFXCMWMVTE-RCLSDMTESA-N 482.585 2.380 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C2 1802078853 KMBNJXJSEIQCNO-AACIOFFESA-N 482.508 2.349 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C13CC(C(F)(F)F)(C1)C3)C2 1802079079 SFJKDQXOXRXBSU-NJTPZCQSSA-N 482.455 2.139 10 20 JECD CCOc1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802080451 NNXKCDKRDQALSF-JKURJYBESA-N 468.506 2.119 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)[C@@H](O)c3ccco3)C2)CC1 1804894368 GDUNZPBSVYEWNI-HVPBSWBLSA-N 456.495 2.374 10 20 JECD C[C@H](Nc1cccnc1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807155679 OKLDSSLPDCNWCI-JIGPKXGUSA-N 462.510 2.103 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)c3ccc(O)cn3)C2)CC1 1808857673 NHRZBCDOQZPECO-XVNBXDOJSA-N 453.495 2.462 10 20 JECD COc1cccnc1CCC(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810546590 FAHQHZUWRLXROC-UHFFFAOYSA-N 454.527 2.374 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)ccc1O 1811019804 SIUGELKCAZZKDP-UWJYYQICSA-N 484.603 2.276 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc(O)cc1F 1811055783 HXCRWDPWBPYQGK-SZNDQCEHSA-N 452.442 2.366 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n(C)n1 1814163129 ZLZGOIDMWNZFIP-XZSBDORCSA-N 477.521 2.273 10 20 JECD CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1815167733 MXQYJDQLVODUBJ-IAQYHMDHSA-N 499.977 2.108 10 20 JECD CN(C)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)nc1 1816217043 BXKFYBNPSPAIBW-KRWDZBQOSA-N 451.487 2.297 10 20 JECD CN(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cn1 1817846347 SWNWPJPHCRRACH-MRXNPFEDSA-N 451.487 2.297 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2)c1ccc(O)cc1 1822922095 XYWNXQLKARZWRN-WCQYABFASA-N 490.632 2.425 10 20 JECD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1823767164 XHUDRNFSQDNHOT-GFCCVEGCSA-N 498.521 2.463 10 20 JECD Cc1nccnc1C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828198386 ZYPRPZGRQDJUEA-LPZVBRGNSA-N 467.507 2.298 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1829127429 LKXBOMBNBMZREK-WMZOPIPTSA-N 489.667 2.362 10 20 JECD CC(=O)N/C(C)=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1831079397 VRURIANVFFWFFB-YJCCFKNTSA-N 479.581 2.439 10 20 JECD CO[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)c1ccccc1 1834927607 DNUUSTOTFYCXSS-QPPBQGQZSA-N 490.940 2.209 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnco4)C3)C2)cc1 1839348957 WBENXVDSEKBLNP-VWLOTQADSA-N 464.522 2.466 10 20 JECD Cc1cnc(Cl)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1 1839431714 IICVETXYRNIRGL-QFIPXVFZSA-N 496.347 2.492 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)(Cl)Cl)CCO2 1839922576 JADJAUQAXGYDOF-INIZCTEOSA-N 488.151 2.191 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)CSc2ccc(F)cc2F)C1 1841565120 LVXDIVOQPDHNRM-UHFFFAOYSA-N 471.576 2.121 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1ccncn1)C2 1843331297 GSJOWHZEOWQPAJ-HXUWFJFHSA-N 480.569 2.012 10 20 JECD COc1ccc(N2CCN(C(=O)CSc3nc4ncccc4c(=O)n3C[C@H]3CCCO3)CC2)cc1 108202024 FMGGVIJTTPLISA-HXUWFJFHSA-N 495.605 2.420 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(OC)ccc3OC(F)F)CC2)cc1 743432521 OGDNNVVDSZYNLR-UHFFFAOYSA-N 478.496 2.182 10 20 JECD C[C@H](OC(=O)Cc1ccc(S(N)(=O)=O)s1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 914962732 SZOPOWOWCZHGOU-LBPRGKRZSA-N 498.538 2.284 10 20 JECD O=C(c1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1)N1CCOCC1 915268834 GEHROROWAGXUOI-FQEVSTJZSA-N 460.552 2.235 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 915732175 ZMMPFDAFKDJSFF-UHFFFAOYSA-N 462.572 2.047 10 20 JECD CCN1CCN(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)CC1 916597238 SCQXHPXXIWWBHU-CQSZACIVSA-N 465.462 2.080 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(C(=O)c4ccco4)CC3)cc2F)C[C@H](C)O1 916978714 SALKKNYFQUYSBX-ROUUACIJSA-N 458.534 2.107 10 20 JECD C[C@H](OC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 917814006 IZIUSHDFIODGIE-MJZPSCMNSA-N 498.491 2.139 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)cc2)C1 917834922 ULOSIWWMLHXRPE-NRFANRHFSA-N 469.607 2.357 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H](C)NC(=O)c3ccco3)cc2F)C[C@H](C)O1 918797809 DLPHYWVPYJITOW-JYJNAYRXSA-N 461.490 2.010 10 20 JECD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2)C[C@H](C)O1 919766546 CMQWTOBXSJBFGO-OALUTQOASA-N 473.595 2.251 10 20 JECD CN(CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Cc1cscn1 920415724 DKYKMLYODPHTBH-IDUWFGFVSA-N 476.605 2.321 10 20 JECD COC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 920786538 BBKYCZVHCNQEBH-HZPDHXFCSA-N 457.502 2.410 10 20 JECD COCCN1C(=O)/C(=C/Nc2ccccc2C(=O)Nc2cccc(OC)c2)C(=O)NC1=S 920978724 HPEBEZOJUQZVMC-GHRIWEEISA-N 454.508 2.133 10 20 JECD Cc1cc(C)c2c(N)c(C(=O)O[C@H](C(=O)N[C@@]3(C)CCS(=O)(=O)C3)C(C)C)sc2n1 924234171 ROQWXRQDUSMVSO-YWZLYKJASA-N 453.586 2.370 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)C2)C1 1778546015 LNFGTEWKHZCQRH-OAQYLSRUSA-N 491.426 2.145 10 20 JECD Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c(F)c1 1781497140 PBESHHBMIXYXLX-BSBODGDASA-N 456.470 2.408 10 20 JECD CCN(CC)C[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1781502423 OFHFJMMMHYOAPL-SZEHJLNQSA-N 497.640 2.271 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1782002151 ROGLACPSOZBXNS-HJPURHCSSA-N 457.914 2.404 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1cccnc1Cl 1783366601 REEHWUBZXAXHFW-QSFXBCCZSA-N 481.940 2.121 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc2cc[nH]c2cc1F 1789251655 UPHZDOJZEIAFTA-AXHNFQJDSA-N 454.458 2.020 10 20 JECD COc1ncccc1CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1794366084 VSQAXPQVYIKHAB-NUZGMZIFSA-N 475.549 2.454 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccc(F)c3s1)C2)c1cc(O)nc(O)c1 1796137326 DMAKORCLIFOKBU-HBCWATKFSA-N 457.483 2.364 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2nccc-2c1Cl 1796671042 NRIBWFSWWIZFCT-ZSBIGDGJSA-N 477.999 2.280 10 20 JECD COc1ccc([N+](=O)[O-])c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)n1 1797216762 NFTJPEWUYZYCSB-SAEFCAOBSA-N 484.465 2.080 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)n2cncn2)C3)cc1 1799622361 LXCHTLRVYCVYJO-WRHDZBKDSA-N 462.554 2.150 10 20 JECD CSc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1 1802082645 XMXXCDJGYDBOFA-MYBSFJDWSA-N 484.574 2.371 10 20 JECD O=C(Cc1cc(F)ccc1F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804340668 XJSOEDLSXIHSAH-QDMKHBRRSA-N 453.536 2.006 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cccc(O)n1 1805678221 LDYVMBPAWARDMV-GFINEQOMSA-N 476.489 2.332 10 20 JECD O=C(Cn1ccnc1)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1805883811 QTVRXXAUXOWTNM-FOIQADDNSA-N 455.902 2.363 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3nccn3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995873 KVAGIWBPLOYKJP-AOMKIAJQSA-N 458.478 2.169 10 20 JECD Cc1cc(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)nc2nccn12 1810554619 PYEOKDDRQFPOKO-UHFFFAOYSA-N 450.499 2.003 10 20 JECD COC(=O)C1(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)CC1 1812690880 YOIHYZBAPRZCLK-KDOFPFPSSA-N 473.913 2.419 10 20 JECD COC(=O)CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1813141004 UMWJICLRTVCEBJ-HXOBKFHXSA-N 470.526 2.331 10 20 JECD Cc1ncccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816394538 VKKKXLCIBVRDBO-HNNXBMFYSA-N 458.569 2.279 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817361803 HAXLFFXFMTVHCF-LBPRGKRZSA-N 493.505 2.398 10 20 JECD Cc1noc(N)c1C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362323 KPSKVLYYQLPDEL-LBPRGKRZSA-N 479.522 2.040 10 20 JECD C[C@@H](Cn1cccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364023 MIOZVBCNJXQZFG-JKSUJKDBSA-N 491.577 2.381 10 20 JECD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cnc1C 1828239860 JFFUZZGQDGGITO-ZDUSSCGKSA-N 475.621 2.241 10 20 JECD COc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc1 1828242549 MIAISVCVBSFRCR-ZDUSSCGKSA-N 490.632 2.167 10 20 JECD C/C(=C\c1cccnc1)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828249478 ILIFPRTWYOSTKO-GMMCIKNFSA-N 487.632 2.414 10 20 JECD O=C(Cc1c(F)ccc(F)c1F)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833624557 AKLMFEWQMBWVBS-UHFFFAOYSA-N 492.498 2.338 10 20 JECD CC(C)(F)C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1834646225 HJPQOLHGKVJFQE-UHFFFAOYSA-N 457.550 2.099 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1ccncc1F 1835252013 PCBDVLQGFCDBHL-UHFFFAOYSA-N 492.555 2.199 10 20 JECD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)o1 1836027077 ZVKLNGUCMMJXCC-AREMUKBSSA-N 493.564 2.098 10 20 JECD COc1ccsc1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838030005 YGOLZDRPIWDDQT-UHFFFAOYSA-N 461.540 2.489 10 20 JECD CCc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)s1 1839433756 SGLDBVWFPZJXJJ-OAQYLSRUSA-N 481.958 2.154 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)c1ccco1)CCO2 1839691277 JIPPQILLSKRZGK-FQEVSTJZSA-N 486.855 2.206 10 20 JECD O=C(c1ncccc1Br)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441716 NGXOVCMSJCBNFS-UHFFFAOYSA-N 482.338 2.454 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)C[C@@H]2CNc3ccccc3O2)C1 1844221996 IKXZVQAZLJIICZ-UGAXZCSASA-N 465.506 2.283 10 20 JECD COc1cc(F)ccc1CC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037024 CXWXSLFOMDNQDR-VMPITWQZSA-N 456.470 2.410 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1cnc2ccccc2c1 1847466673 SCYXCHBINLBWQX-OALUTQOASA-N 468.604 2.230 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C2=S=C(NC(=O)c3ccco3)C=C2C)s1 591221137 GQZXAZRPPQVLFM-UHFFFAOYSA-N 495.648 2.456 10 20 JECD COc1ccc(N2CCC(NC(=O)c3sccc3S(=O)(=O)N3CCOCC3)CC2)cc1 726561308 LXRKPOWUBWYFAG-UHFFFAOYSA-N 465.597 2.176 10 20 JECD NC(=O)[C@@H]1CC(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)=NN1c1ccccc1 726565334 CJIRVESDEQZMRL-FQEVSTJZSA-N 457.481 2.493 10 20 JECD CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 746508328 OXWNXUSMHJTHMM-UHFFFAOYSA-N 482.624 2.410 10 20 JECD CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC=C1C(=O)NC(=S)NC1=O 814320326 MXUYRGOXCUTTCK-UHFFFAOYSA-N 461.521 2.436 10 20 JECD C[C@@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C(=O)N1CCNC1=O 913359648 AFSQDKDYYWHBJC-BVRAVYJCSA-N 453.567 2.213 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC3CCN(Cc4ccncc4)CC3)cc2)C1 918013833 ACUFRERXRLLCSP-NRFANRHFSA-N 450.587 2.247 10 20 JECD CN(C)C(=O)COc1cccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 918037007 FEXLNWDOGBARDD-SFHVURJKSA-N 453.543 2.177 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCN(C(=O)CCOc2ccccc2)CC1 918337185 FAKCEUNONYSSBF-UHFFFAOYSA-N 499.633 2.245 10 20 JECD CCc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCOCC1 919767568 SDSRPXJPNZNELH-UHFFFAOYSA-N 473.595 2.037 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(S(=O)(=O)NCC2CC2)c1 919969531 PBTOBRMEXZSUIK-UHFFFAOYSA-N 461.559 2.405 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nc[nH]c2[N+](=O)[O-])CCO3)cc1 1781752797 AQGJDMRNJNXAEF-DEOSSOPVSA-N 478.509 2.483 10 20 JECD O=C(C[C@@H]1COc2ccccc2O1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004499 YAKMMEQJDDAMPD-GYCJOSAFSA-N 488.924 2.425 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)CC1 1782007500 JHVOYTDNZLKHTK-JOCHJYFZSA-N 495.960 2.252 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSC1CCCC1)C2 1783244315 RDCORBCKACTHIP-IIBYNOLFSA-N 485.697 2.036 10 20 JECD Cc1csc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1 1784689406 IOLJTMDJDSZYIL-HTERZNMPSA-N 458.536 2.480 10 20 JECD O=C(CCCc1ccncc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1785357539 ODRORNUCKKFGGH-BOJSCZBBSA-N 481.549 2.214 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510449 KPNQQNOVUONQBE-KHGIRQKXSA-N 468.506 2.114 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)C1(c3ccc(Cl)cc3)CC1)CCO2 1785547258 VYZSREPQHFUMQV-OAQYLSRUSA-N 494.038 2.062 10 20 JECD C[C@@H](Sc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792237489 KITBBHIOUWKRKE-FZCLSBEQSA-N 493.676 2.007 10 20 JECD CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796600741 ICVSIVXAVOYVHH-IVZYZONNSA-N 474.558 2.392 10 20 JECD C[C@@H](Nc1nccs1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796934668 SOYKLIJCAZSWJN-XYVMCAHJSA-N 466.567 2.375 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@]2(C)CCCN2)cc1 1799218813 NZHXUNPCBBXGHX-KNZHSQOXSA-N 450.583 2.439 10 20 JECD COc1cnc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cn1 1806049565 ATHLVYLSKSUZKA-CJOSSSAMSA-N 491.504 2.030 10 20 JECD COc1cccc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1806553853 ZAPJJGLQCSNZOR-KOSHJBKYSA-N 462.506 2.459 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2c(F)cncc2F)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994332 GXLCSAZVEXJWJC-XCLFUZPHSA-N 455.421 2.194 10 20 JECD CC(C)OCC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808464003 HFNCFSOZTGNCIV-DVECYGJZSA-N 463.538 2.305 10 20 JECD CC[C@H](C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808465488 WDBCYDNFQKUHRR-NZUPQLOKSA-N 477.565 2.287 10 20 JECD Nc1ncc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)s1 1808467973 LOBRBKZPSLEZFS-IERDGZPVSA-N 489.561 2.233 10 20 JECD CC(C)n1cnc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1808722236 SEHXJBPVCWIMNA-SFYFWLEPSA-N 492.536 2.404 10 20 JECD O=C(O)c1cnncc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1810806119 OICDVVRXXMFNPD-DJJJIMSYSA-N 497.895 2.268 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)CC(F)(F)C(=O)O)C2)CC1 1810880362 NDNWYGPYYZDDJG-HWKANZROSA-N 468.453 2.158 10 20 JECD CCC1(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)COC1 1812494295 RXHWSRNPENNXQA-GLCUETTDSA-N 467.522 2.344 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](O)CC2)[C@H]1c1cccnc1 1813192721 MJQROGSJQNOZTM-QQSWDXNGSA-N 481.549 2.469 10 20 JECD Cc1nscc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814186595 SVZUIOZJSNLBNW-KSSFIOAISA-N 475.621 2.026 10 20 JECD Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n[nH]1 1817361875 KDESWXAHPBFFPX-CQSZACIVSA-N 477.550 2.122 10 20 JECD COc1cnc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)c(F)c1 1817844003 MUCCWACUUUCCTQ-HNNXBMFYSA-N 456.434 2.378 10 20 JECD CC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145974 PEEDCXDZZYWMSN-PXNSSMCTSA-N 479.541 2.109 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccnn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147296 XANQXEXWVOPEDL-LJQANCHMSA-N 458.482 2.299 10 20 JECD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1)n1ccnn1 1818147927 PSFWGRXMNQIQLD-KXBFYZLASA-N 475.513 2.047 10 20 JECD Cc1ccn2c(=O)c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)cnc2c1 1818741310 NQWGWCNSTIUFMB-KRWDZBQOSA-N 489.492 2.152 10 20 JECD CC(C)(C)c1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)[nH]n1 1820564513 BXCJHFIFINAPLB-JTQLQIEISA-N 492.652 2.250 10 20 JECD Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cc(O)n1 1832902480 NRQOIEWCUOQRPW-QGZVFWFLSA-N 476.624 2.189 10 20 JECD Cc1cncc(CCC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834985909 PDTHJCSELNPGQM-UHFFFAOYSA-N 467.570 2.014 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cnc4cc(Cl)ccn34)CC2)CC1)c1cc(O)nc(O)c1 1834986863 DETRIBWWBQKOJC-UHFFFAOYSA-N 498.971 2.293 10 20 JECD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)n[nH]1 1837590202 BZKPHCOQRMURTO-MHZLTWQESA-N 491.592 2.438 10 20 JECD CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)CC1 1841095505 QFRNPJKOPVQCMC-SOFGYWHQSA-N 487.553 2.325 10 20 JECD CC(C)(C)OC(=O)N1CCc2cc(C(=O)N3CCCC34CN(C(=O)c3cc(O)nc(O)c3)C4)cnc21 1843760986 OZTMNUJOHWVIHE-UHFFFAOYSA-N 495.536 2.316 10 20 JECD COc1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(OC)c1 1844873474 XXYWIYAAXWIOIM-WEVVVXLNSA-N 454.479 2.351 10 20 JECD COc1ccc(N2CCN(C(=O)CSc3nnc(N4CCOCC4)n3CC(C)C)CC2)cc1 26664561 RDHZCWWBTRIOAM-UHFFFAOYSA-N 474.631 2.220 10 20 JECD COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)c1 729062489 CAMYSIKPKYZVAU-OAHLLOKOSA-N 461.478 2.074 10 20 JECD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1 731125555 ATKYEBSDBHMZIW-UHFFFAOYSA-N 491.548 2.483 10 20 JECD Cc1cc(C(=O)CSc2nnnn2CC(F)(F)F)c(C)n1-c1ccc(S(N)(=O)=O)cc1 750959680 YBNDOMJRSGNJNH-UHFFFAOYSA-N 474.490 2.265 10 20 JECD CN(C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 914446887 KROACFWBJFVUGE-IAOKNECISA-N 489.438 2.296 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)Cc3cccc(F)c3)cc2F)C[C@@H](C)O1 917298324 YZWVJARNZUSNBG-IAGOWNOFSA-N 489.519 2.097 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)C3(c4ccc(OC)cc4)CCOCC3)nc12 920694286 VGVGZUMBFKMONV-UHFFFAOYSA-N 455.467 2.412 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCCN(Cc4cc(C)on4)CC3)CC2)cc1 1325028802 VUTCZCHPWLTUAA-UHFFFAOYSA-N 456.591 2.031 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3ncccc13)C2)c1cc(O)nc(O)c1 1777847863 CFPYBMPTVBWMLF-CJFMBICVSA-N 462.506 2.482 10 20 JECD C[C@H]1CCc2c(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)n[nH]c21 1782005383 BWUBZLNHADKCKC-YTEVENLXSA-N 460.918 2.281 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1cccc(C(F)(F)F)c1)CCO2 1785545305 OJQNKYVSSIITQI-LJQANCHMSA-N 487.525 2.009 10 20 JECD CO[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccccc1 1786664627 MHZKWHAXXBWTAC-BWEBLPQQSA-N 482.533 2.184 10 20 JECD O=C(Nc1ccc(C2(NC(=O)[C@H](O)N3CCOCC3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1 1790776817 VEGFXDXHWWJJNL-QFIPXVFZSA-N 475.929 2.150 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc[nH]1 1795068619 MYJLIJDXCMCVGY-IYWMVGAKSA-N 482.585 2.380 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796602685 UOIJCXOUJJTIEC-GLZZAVLXSA-N 486.569 2.392 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)Cc1ccccc1)C1=NN(c2ccccc2)C(=O)C1 1801793865 UMVSEBTWUXKTBU-ZVXPMLRVSA-N 460.534 2.021 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1n[nH]c(C2CC2)c1F 1805123423 BZGSYPKSQHOBBA-SZNDQCEHSA-N 466.473 2.261 10 20 JECD O=C(NCC(=O)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1)c1cccnc1 1806873569 SIMGSBKDYMJFBY-UHFFFAOYSA-N 486.956 2.421 10 20 JECD COc1cccc(CCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n1 1807994224 TUEBLIXFCPGHIM-MZNJEOGPSA-N 477.521 2.244 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc3[nH]ncc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995429 YUXOHVHAWPWUPJ-QRQCRPRQSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3ccccn3n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996236 OMXVSFMQNOQIPM-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD Cc1nnsc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808646460 GOVYVZVDJKAWEH-DYESRHJHSA-N 489.561 2.354 10 20 JECD O=C1C[C@@H](C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)CN1Cc1cccs1 1810547498 RDAIEAPSLZVGML-GOSISDBHSA-N 498.605 2.448 10 20 JECD O=C(CCCc1cccnc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1813521144 GZOSSWVDBFASAN-CVDCTZTESA-N 497.646 2.366 10 20 JECD Cc1ccn(CC(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1814162866 SQEIUWQMDFZJLI-ADXKRPKKSA-N 477.521 2.123 10 20 JECD CN1CCC(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)CC1 1814162967 ZZCYGOJUINEEKK-PIHJRKLSSA-N 480.565 2.259 10 20 JECD Cc1[nH]nc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)c1F 1814163023 VNSJXFOYUZOIFX-FIEJTUCKSA-N 481.484 2.402 10 20 JECD CCOC(=O)C1(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)CC1 1814165556 HQUZLCQTXDVAOG-RQCLJNFQSA-N 495.532 2.261 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)COC2CCCCC2)[C@@H]1c1cccnc1 1814186103 WZIRKVWJHCSQTR-VGOFRKELSA-N 490.651 2.297 10 20 JECD Cc1cnoc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1821136624 NMXXHURUGKVVIR-QBODLPLBSA-N 456.480 2.496 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821291026 OZBRDJDDCFZYLB-HNNXBMFYSA-N 499.915 2.034 10 20 JECD COc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823477059 YZLBPGGUXQMMHV-MNDMWVCDSA-N 482.497 2.288 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccnnc1O)CC2)c1cc(O)c(O)c(Cl)c1 1823712844 YRTKNCLCMJYKKO-VIFPVBQESA-N 461.887 2.243 10 20 JECD Cc1cccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)n1 1824285035 MGYNXSMXCMEZMR-LJQANCHMSA-N 474.652 2.413 10 20 JECD Cc1ncncc1C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828198184 UNEGJPWADFYHQX-LPZVBRGNSA-N 467.507 2.298 10 20 JECD Cc1nocc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898120 ABIBDYROUXTRIS-MRXNPFEDSA-N 450.586 2.077 10 20 JECD O=C(c1cc2cccn2cn1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901116 CBRFBAUNYVNXFA-LJQANCHMSA-N 485.635 2.428 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cccc4[nH]ncc34)CC2)CC1 1838031629 XFXXBNKFHOHAHH-UHFFFAOYSA-N 465.510 2.295 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3occ(Cl)c3c1)CCO2 1838614349 JSNXIGQSLDLBIS-HSZRJFAPSA-N 487.896 2.276 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)cc1 1839349449 VEYHZCNLXBNFTJ-BKMJKUGQSA-N 467.566 2.201 10 20 JECD Cc1ccc([C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1839948743 GAOMZOLJCSNUQS-NYYQPMLUSA-N 496.560 2.385 10 20 JECD O=C(CCCc1cccnc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840512483 ZBHAYUJXPSGENG-DEOSSOPVSA-N 489.956 2.239 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCOC2)CCO3)cc1 1840538607 MGKOFRQHRICCAD-GJZUVCINSA-N 467.566 2.201 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Br)cc1F 1847380363 QFMSUTKRHHBZJG-KBPBESRZSA-N 486.388 2.264 10 20 JECD CC(C)[C@H](C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)N1CCCC1=O 726033634 HYPPXDZWTNJDAH-SAHWJRBASA-N 463.550 2.246 10 20 JECD CSc1cc2c(cc1NC(=O)C(=O)NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)OCCO2 726291119 BIVQQEBKCBXYGQ-MRXNPFEDSA-N 484.578 2.136 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCN(C(=O)c4ccc(F)cc4F)CC3)CC2)cc1 726971467 KMWMNUZUAPBNJT-UHFFFAOYSA-N 458.509 2.080 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)CC2)cc1 742921236 RTNYWCKEWISLCJ-UHFFFAOYSA-N 490.601 2.171 10 20 JECD Cc1cc(S(N)(=O)=O)sc1C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 746620562 OIVBIZYYARNLIH-UHFFFAOYSA-N 484.511 2.275 10 20 JECD CN(C)c1ccc(CNC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1F 746798717 RVLQYHGZIRUYHS-UHFFFAOYSA-N 490.557 2.291 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(N4CCSCC4)cc3C)CC2)cc1 747991671 NXLLLXPAKSCALX-UHFFFAOYSA-N 497.665 2.434 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 914539260 NNDDVXKQRGZUIY-UHFFFAOYSA-N 466.991 2.297 10 20 JECD O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 916989332 GMRJFGTXVKJJQM-UHFFFAOYSA-N 488.551 2.003 10 20 JECD O=C(CN1CCC[C@H](c2nnc3n2CCCCC3)C1)NCc1ccc(N2CCOCC2)c(F)c1 917049568 HOPMZLSYHCDMDQ-FQEVSTJZSA-N 470.593 2.476 10 20 JECD O=C(COC(=O)CCc1nc(O)c2ccccc2n1)NCc1ccc(N2CCOCC2)c(F)c1 918786654 GWTRIVVLZCRDEY-UHFFFAOYSA-N 468.485 2.103 10 20 JECD O=C(CCNS(=O)(=O)c1cccc(Br)c1)NCc1ccc(N2CCOCC2)cc1 919767570 SFMTUGZPNAFNGP-UHFFFAOYSA-N 482.400 2.271 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 919907228 FGZHBAQXTWAXLW-UHFFFAOYSA-N 476.574 2.269 10 20 JECD CN(C)S(=O)(=O)c1ccc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)nc1 1324038346 ZCWRRTWGHLPVFY-UHFFFAOYSA-N 471.562 2.200 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c[nH]1 1778127910 PMNLPQNNWPVGLJ-PXDATVDWSA-N 463.538 2.244 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1782009028 OHLSRCJCMHJZRO-QFIPXVFZSA-N 474.876 2.295 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@H]1CCCSC1 1783205808 LWXAOWXEFVKAKV-MGGJZLSNSA-N 476.595 2.474 10 20 JECD COC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)CCO3)C2)CC1 1783216551 QQSYNPYCPGAWMD-VWLOTQADSA-N 465.550 2.491 10 20 JECD COc1ccc(-c2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)nc(O)c5)[C@H]4C3)no2)cc1 1787292306 PMOLKUUTPFIMBA-XERREHJYSA-N 494.504 2.064 10 20 JECD CCN(CC)[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1)c1ccccc1 1787294383 NLOMWYNLKXJZJJ-SODVOOIJSA-N 482.581 2.169 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(Cc2ccccn2)CC1)c1cc(O)nc(O)c1 1794446259 BQLAHNKUYKKCOH-WKCHPHFGSA-N 465.554 2.052 10 20 JECD O=C1CSc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(O)nc(O)c3)ccc2N1 1796600411 GHCINSAGQKSCEX-QDMKHBRRSA-N 454.508 2.103 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc(-n2cccn2)cc1 1799600495 YLSIVXQROQMPJI-UPHUGPLXSA-N 482.924 2.454 10 20 JECD Cc1ccn(CC(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1804628877 VRUNORIBRSEZSR-ADXKRPKKSA-N 477.521 2.123 10 20 JECD O=C(O)c1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)ncn1 1804968808 OGYGVCKXPYQQJE-ORAYPTAESA-N 497.895 2.268 10 20 JECD Nc1c(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)sc2nccnc12 1807315444 YDNYSLLAUGGQNW-ORAYPTAESA-N 491.533 2.108 10 20 JECD O=C(NC[C@H]1CCN(C(=O)COc2ccccc2F)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807997501 AHRFBHNDLXGPPZ-MWTRTKDXSA-N 466.469 2.426 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)C1(O)CCC1 1808464430 LTNQOZYAQIJBLH-WWEVIYMKSA-N 489.576 2.431 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccn2nccc2c1 1810045023 QIXVQUNJNSOERW-JTSKRJEESA-N 458.478 2.169 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cccc3c[nH]nc23)[C@H]1c1cccnc1 1814189640 UYRMFVPRXHQAFB-KKSFZXQISA-N 494.602 2.138 10 20 JECD O=C(Cc1cncnc1)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1815972840 CPQOMZVTXWQSIZ-UABRLCRWSA-N 464.482 2.265 10 20 JECD CCc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n(C)n1 1817362212 QUTDINLNXNSJBO-OAHLLOKOSA-N 491.577 2.458 10 20 JECD Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)ncc1[N+](=O)[O-] 1817845631 SNPIEUPHRQYJHC-HNNXBMFYSA-N 467.442 2.447 10 20 JECD O=C(Cn1cnc2ccccc21)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822296459 ABCDLEPYTLUHNA-QGZVFWFLSA-N 497.606 2.312 10 20 JECD O=C(Cc1c(F)cccc1F)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1822304632 CRXQEBPJBCBAOH-SNVBAGLBSA-N 496.586 2.436 10 20 JECD O=C1C[C@@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CCN1 1822482189 DDJPZCGHWGKHNZ-XHDPSFHLSA-N 461.906 2.306 10 20 JECD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)n1cccc1C=O 1823497121 ABMCOIITXABXPJ-CZUORRHYSA-N 488.595 2.137 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)[S@@](=O)c1ccccc1 1824569200 QFJFNNDZWPXGNT-YIRJOAKNSA-N 486.575 2.371 10 20 JECD Cc1nccn1CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1826697809 FTNJSAIQIXSKIT-AWEZNQCLSA-N 456.528 2.160 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2nccc3nc[nH]c23)CC1 1827503439 BHXUISIUWBONCS-KRWDZBQOSA-N 450.499 2.311 10 20 JECD CC(C)[C@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715437 UNKOQVVKSLHGED-GGAORHGYSA-N 454.571 2.416 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716941 ZYXSCLQTWKNHCW-XMSQKQJNSA-N 496.612 2.107 10 20 JECD CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1830402073 YDHZZXCLOUNORP-APTSRADASA-N 471.554 2.057 10 20 JECD Cc1cccnc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1832779176 CCCYIPMIWAHQNI-XMMPIXPASA-N 489.956 2.157 10 20 JECD CC(C)O[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835792076 BSWKHQKIFNMWCP-LJQANCHMSA-N 483.613 2.164 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)C[C@@H]2COc3ccccc3O2)C1 1841549925 BTBQVDBDWXMHCL-UGAXZCSASA-N 466.490 2.250 10 20 JECD CN1CCC[C@H]1C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1841770568 XTDSALYUEWGTIK-RTWAWAEBSA-N 485.629 2.002 10 20 JECD Cn1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C2)c1 1844251645 OHLVWULFVJBOCL-IBGZPJMESA-N 498.580 2.389 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cnc3ccc(F)cn23)C1 1845685793 ZVXMZHGCENOWGW-XVNBXDOJSA-N 452.442 2.121 10 20 JECD CC[C@@H](C)C(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 25646920 ZZSCPFZAKAABSY-GFQQVXNGSA-N 450.538 2.322 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)CC2)cc1 726727046 ZJCGMNBKHFJPQA-UHFFFAOYSA-N 467.494 2.415 10 20 JECD O=[N+]([O-])c1ccc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c(S(=O)(=O)N2CCCC2)c1 726967904 HSVFTSJSGWDVEO-UHFFFAOYSA-N 494.595 2.226 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCC4)C3=O)c2C)c1 750963310 HRNPEPRGVWMOOF-UHFFFAOYSA-N 467.478 2.325 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(S(=O)(=O)N(C)OC)cc3)CC2)cc1 915333787 NXGJUQFCDNLDQP-UHFFFAOYSA-N 491.614 2.211 10 20 JECD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)o1 915417771 NJWSBGCEGMYMKB-UHFFFAOYSA-N 474.491 2.422 10 20 JECD O=C(COc1ccc(CCNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1)NC1CC1 918107407 NLRZXRBONCTJER-UHFFFAOYSA-N 484.572 2.486 10 20 JECD CS(=O)(=O)Nc1cccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 918202573 VMGZUEYRSOXGGZ-UHFFFAOYSA-N 450.536 2.158 10 20 JECD Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918674101 VRWGMDQDVQIGKO-SFHVURJKSA-N 494.621 2.461 10 20 JECD CCc1ccc(N2C[C@H](C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2=O)cc1 918877725 BSSPFARDTPVHLM-HXUWFJFHSA-N 483.540 2.437 10 20 JECD CCN1CCN(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C(=O)C1=O 919146560 AWCVBJIJMMUKDN-UHFFFAOYSA-N 477.464 2.112 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919698210 WZFHWINKMTVZFK-UHFFFAOYSA-N 458.538 2.473 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@H]1CCCN(C(=O)C2CC2)C1 919699483 NNOHTFBWIQYKLE-FQEVSTJZSA-N 466.561 2.207 10 20 JECD COCCN1C(=O)/C(=C/Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)C(=O)NC1=S 920974780 SXOKBCJICCHYIC-NTCAYCPXSA-N 494.982 2.326 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1779597567 QSPRNZVMIMQTMD-QHCPKHFHSA-N 483.912 2.294 10 20 JECD CCOc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1O 1781977213 MIEDKTPURBWQSQ-SANMLTNESA-N 492.532 2.027 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@@H]1C[C@@H]1c1ccc(F)cc1 1792805695 CMVCEVFTXLBQKZ-UCHSUYAGSA-N 490.535 2.312 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccccc1-n1nccn1 1796932971 IAQDXBMILNYUDM-FNLKRUPLSA-N 483.532 2.312 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@H]1C[C@H]1c1ccccc1 1800921892 GPKLOOXDYPUNDU-WUTYHBSBSA-N 472.545 2.173 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)o1 1803787469 DYBLDVFUZBVRQO-KXBFYZLASA-N 458.565 2.163 10 20 JECD COc1ncccc1CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804544219 UWUXBZLKKYYNMD-WZONZLPQSA-N 477.521 2.244 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1cocn1 1806018307 TZPWWOHIXKISMT-JTSKRJEESA-N 458.478 2.182 10 20 JECD Cc1cc(CCC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)ccn1 1806812932 QNRCHYVXKCYLSW-UHFFFAOYSA-N 474.652 2.414 10 20 JECD Cc1nc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccc1F 1807992003 UAWXPRHLECTJIJ-YCRPNKLZSA-N 451.458 2.364 10 20 JECD COc1ncc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1F 1807992521 ZPWVXSBGVQWPTG-VBKZILBWSA-N 467.457 2.064 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)o1 1807996703 ZZXXANOHMFEZLY-YCRPNKLZSA-N 465.466 2.073 10 20 JECD Cc1cc(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)n(C)n1 1808341630 BUOCYNYQWQOATN-FNORWQNLSA-N 454.527 2.404 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)n1cccn1 1808470186 TZYLDVHCGLPGRS-WWEVIYMKSA-N 485.548 2.338 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cnn2ccccc12 1809075470 ZWZSVAZXIVLFLJ-AOMKIAJQSA-N 458.478 2.169 10 20 JECD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1810244417 QXZBYGSCKKFISZ-WTANOLMUSA-N 489.960 2.173 10 20 JECD COc1ccc(CCC(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)cn1 1810546451 BTHYHNYJKOUSFK-UHFFFAOYSA-N 454.527 2.374 10 20 JECD Cc1nc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)sc1C 1811259857 CAIIQUAAUOEBIB-MAUKXSAKSA-N 489.648 2.335 10 20 JECD Cc1cn2c(=O)c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)cnc2s1 1818738681 ULYOYDDXOIHUJE-OAHLLOKOSA-N 495.521 2.213 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)nc2)[nH]n1 1823499835 ACGMGZKOCZNSPU-ZDUSSCGKSA-N 462.532 2.110 10 20 JECD O=C(c1cnn2ccncc12)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427887 VCHVAPSRWFBXEK-SFHVURJKSA-N 450.499 2.083 10 20 JECD CN(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715968 XGQNMRAHBUOBPX-QFIPXVFZSA-N 453.587 2.351 10 20 JECD O=C(CSc1nc[nH]n1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717636 RBTQURWDRGQRGS-FQEVSTJZSA-N 495.609 2.309 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@H]3CCC(=O)N3C2)CC1 1830208133 RMWZSGNOJAVMBH-HOJAQTOUSA-N 470.570 2.127 10 20 JECD O=C(CNC(=O)C(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878579 TUZPNTJUTKCUDH-YERXGYGTSA-N 499.486 2.115 10 20 JECD O=C([C@@H]1[C@@H]2C=CS[C@@H]12)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899236 BJTHKLRMOUAGJV-OSGQAZFXSA-N 465.666 2.342 10 20 JECD Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)cs1 1834290805 IQQLISZVWUZWOA-UHFFFAOYSA-N 494.621 2.430 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccccc3O)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134656 REPUMIOAGYACAY-UHFFFAOYSA-N 489.576 2.370 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccn(C)n4)C3)C2)cc1 1839348431 SKIQOLWZMRXOGX-HHHXNRCGSA-N 491.592 2.140 10 20 JECD O=C(Cc1ccccc1F)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431763 LZDCBKGEWUKGSY-HSZRJFAPSA-N 478.904 2.203 10 20 JECD C[C@H](C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1)n1ccnc1 1843330547 FKPKXCNEHMYGIO-WIYYLYMNSA-N 496.612 2.366 10 20 JECD Cc1cc(O)c(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)cc1Br 1847054819 SKUFEFXBOIJJGC-UHFFFAOYSA-N 498.424 2.140 10 20 JECD COc1c(C)cnc(CNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C 747618628 KLRCQDHULRYVSI-UHFFFAOYSA-N 450.586 2.215 10 20 JECD CN(C)c1ccc(CNC(=O)CN2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 749914690 LZQBFOSPSCUYNE-UHFFFAOYSA-N 471.048 2.480 10 20 JECD COCCN1C(=O)/C(=C/NNc2ncnc3scc(-c4ccc(F)cc4)c23)C(=O)NC1=S 814318355 LJWRMOGFIROVBO-MDWZMJQESA-N 472.527 2.188 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2O)c([N+](=O)[O-])c1 917307678 RRRULHJMLUALGP-UHFFFAOYSA-N 451.501 2.368 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(-n4cccn4)nc3)cc2F)C[C@@H](C)O1 918288496 VQZAPZYOIUORBU-IYBDPMFKSA-N 452.490 2.275 10 20 JECD O=C(O)/C=C/c1ccc(N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 918735643 LGIGFFZTFDDZGW-GQCTYLIASA-N 457.468 2.080 10 20 JECD C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)CS2 919697976 PWFZVFBTGLNHJZ-WMZHIEFXSA-N 470.574 2.013 10 20 JECD Cc1c(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cccc1C(=O)N1CCOCC1 919795667 OUKZYBUNUDNTNW-FQEVSTJZSA-N 481.549 2.319 10 20 JECD CCCCN(C)S(=O)(=O)c1ccc(N/C=C2\C(=O)NC(=S)N(CC(C)C)C2=O)cc1 920980640 UALQTTPTLSXFMN-SFQUDFHCSA-N 452.602 2.302 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cccn4cncc34)C2)C1 1778685545 CEKMYUFTNCVFEN-JOCHJYFZSA-N 456.886 2.156 10 20 JECD COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1O 1782003561 UQDUKZPDIKAZCE-QHCPKHFHSA-N 476.913 2.152 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3O1)CCO2 1785510481 LSEYOVFZMGQEIW-XFVAHXTJSA-N 480.517 2.040 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(Cl)c3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537398 RPLPJBQXMCOJBN-QRFRQXIXSA-N 481.940 2.121 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn(C(F)F)c3=O)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790244989 KKZOVRNNSLQFBH-YLVFBTJISA-N 497.882 2.215 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@@H]1[C@@H]2C=CS[C@@H]12 1790630645 IVXYLLHDWAHPJR-QMCDYZKMSA-N 450.944 2.220 10 20 JECD O=C(/C=C/c1cccc(O)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1790917156 WUVUNNVIDAIUGB-WLKRGDBESA-N 488.544 2.178 10 20 JECD Cc1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792217587 ATSBJJWBXVRBAG-QOCPPALMSA-N 452.507 2.419 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@@H]1CCCCC1(F)F 1793481246 QTSSEDADDZNIIQ-HPNQWNLUSA-N 474.508 2.194 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796602426 HSOQYPALZUSJIM-YYIAUSFCSA-N 460.531 2.144 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1noc(-c2ccccc2)n1 1799804897 STLWDQZUSDPLSW-BJWYYQGGSA-N 499.618 2.168 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1Cc2ccccc2N1)C1=NN(c2ccccc2)C(=O)C1 1801410957 ZLARAXVQKIRSCX-USKVXJDGSA-N 457.534 2.454 10 20 JECD COc1cc(F)cc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1 1802082554 RWPRWZFESPFAMW-NNGKRYIYSA-N 498.507 2.267 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c(C)o1 1805565629 MQXWMXUAYHHQAR-OXQOHEQNSA-N 472.592 2.471 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cnoc1C1CC1 1806143770 GIGOYNWGHFPPAA-DNVCBOLYSA-N 485.591 2.127 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cnc3ccc(F)cn23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001864 YYNKGSJZAGMSHE-NYHFZMIOSA-N 476.468 2.308 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2cccnc2n1 1809725718 OGASNTCZDLUVKU-JTSKRJEESA-N 470.489 2.464 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CC2)C1 1810551305 GTKPNBPVKMAXCZ-QFIPXVFZSA-N 494.592 2.239 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2CCCCC2=O)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811809143 GXBWYMJBXUSIOX-KSFYIVLOSA-N 486.956 2.478 10 20 JECD O=C(CCc1ccc(F)nc1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816721166 HITARRFUBAAAHY-CYBMUJFWSA-N 457.487 2.342 10 20 JECD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)n1cccc1C=O 1816722635 SHIUDVKCWMYXCS-YPMHNXCESA-N 455.496 2.050 10 20 JECD O=C(/C=C/c1cccc(O)c1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1825357144 ODSVVCVPGHELAQ-WXJAXGNASA-N 488.616 2.334 10 20 JECD Cn1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)n1 1825983601 LSSXPDDZSPWCAW-FNQPIQQGSA-N 454.527 2.484 10 20 JECD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)C1 1827423938 KYRPDTMBIUGVTK-YQVWRLOYSA-N 459.543 2.315 10 20 JECD CCOc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)nn1 1827427545 CWJFUBMHDGSZRF-GOSISDBHSA-N 455.515 2.229 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)n2)CC1 1829230915 JMSZCHOQFZJSRD-INIZCTEOSA-N 464.588 2.314 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccc3nn[nH]c3c2)CC1 1831058602 BMCBRWFEZKZIGO-GOSISDBHSA-N 486.623 2.052 10 20 JECD CC(=O)C[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900849 YGPSQHBUEKWYES-PBHICJAKSA-N 453.630 2.082 10 20 JECD CO[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccccc1 1834578976 AFQYIQLLXRMEHP-QHCPKHFHSA-N 468.554 2.066 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnsn4)C3)C2)cc1 1839348804 NAICMRQOUBXWMF-DEOSSOPVSA-N 481.578 2.329 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1839433296 DNPGLSOZXTYLFS-QHCPKHFHSA-N 460.914 2.443 10 20 JECD COc1cscc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839434026 JMGWESQVRMBYEX-NRFANRHFSA-N 482.942 2.205 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)o3)C2)C1 1839434231 WEPHUEYOTNHOGH-HXUWFJFHSA-N 471.293 2.381 10 20 JECD O=C(c1cn2c(C(F)(F)F)cccc2n1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250795 PLOSWNJDKLEEPP-UHFFFAOYSA-N 461.400 2.290 10 20 JECD O=C(/C=C/C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)NCc1ccco1 1844344580 JHFMFVGADNGVQV-SNAWJCMRSA-N 459.886 2.034 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1846202776 HRYRAPCBSDNWGO-VMSUTVGLSA-N 487.553 2.420 10 20 JECD COCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1847477036 DAZODZYCAIHZME-FHWLQOOXSA-N 491.585 2.162 10 20 JECD O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 108898306 WFRFYFRVJVLIPQ-UHFFFAOYSA-N 484.622 2.492 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N[C@@H]3CCN([C@H](C)c4ccccc4)C3)nnc2n1 250128133 CEHSCIJSUUWTHS-NVXWUHKLSA-N 469.619 2.427 10 20 JECD C[C@H]1CN(c2ccc(CNC(=S)NCc3ccc(S(N)(=O)=O)cc3)cc2F)C[C@H](C)O1 726468616 GCTKMHRRHWEZSN-GJZGRUSLSA-N 466.604 2.251 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c1 726984259 OAIPTJMFTSFECI-SFHVURJKSA-N 453.948 2.220 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COc3ccc(S(=O)(=O)N(C)C)cc3)cc2F)C[C@@H](C)O1 727976996 CLVWXRFWKRGGTI-CALCHBBNSA-N 479.574 2.385 10 20 JECD CN(c1ccc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1)C1CCCCC1 742416655 KBZNASQJVYVBKO-FQEVSTJZSA-N 460.600 2.237 10 20 JECD Cc1cc(C(=O)CSc2nnc(CCC(N)=O)n2C)c(C)n1-c1ccc2c(c1)OCCO2 746242061 OPURKAPZOVLZBX-UHFFFAOYSA-N 455.540 2.387 10 20 JECD O=C(CNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NCC(F)(F)F 918159801 CZBYCZOFSWZNLH-WZUFQYTHSA-N 496.330 2.445 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCC3(NS(C)(=O)=O)CCCCC3)cc2F)C[C@@H](C)O1 918201880 PNTIGBPRWFRNHU-IAGOWNOFSA-N 470.611 2.491 10 20 JECD CCCCN1C(=O)c2ccc(C(=O)OCc3cc(O)n4ncc(C(=O)OCC)c4n3)cc2C1=O 918793136 KSBAVWNAUDAPAM-UHFFFAOYSA-N 466.450 2.365 10 20 JECD O=C(COC(=O)c1ccc(CN2CCCC2=O)cc1)NCc1ccc(N2CCOCC2)c(F)c1 918894353 MTDNMQJDBGYBSO-UHFFFAOYSA-N 469.513 2.258 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1)c1ccc(N2CCOCC2)cc1 920924461 BUYXWLLXYPUSKA-KRWDZBQOSA-N 461.522 2.304 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 928988789 PDTUBMDXMHLKMT-INIZCTEOSA-N 472.473 2.355 10 20 JECD COC(=O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781752983 YLFLXCPSHJQVDQ-VWLOTQADSA-N 485.606 2.444 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNc3ccccc31)CCO2 1782002154 ROGLACPSOZBXNS-MWTRTKDXSA-N 457.914 2.404 10 20 JECD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007228 DYTBOUZFXCXDLP-QFIPXVFZSA-N 493.875 2.485 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC=CO1)C2 1783222043 FUOMIBIIYCYYLB-IOOSNJGYSA-N 458.511 2.023 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)Cc3cccc(F)c3F)C2)C1 1783388037 CDZYFKMZEBWKHN-COIATFDQSA-N 474.460 2.167 10 20 JECD COC(=O)c1ccc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)cn1 1788735278 UQEBMBMKLXDMLP-UHFFFAOYSA-N 498.586 2.476 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1792535967 YKWLFXFEBYUQJF-CBJLPSGESA-N 466.582 2.212 10 20 JECD CC(C)[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1)c1ccc(F)cc1 1796141325 WUPJPRJRYLGMEN-YVCBRDFCSA-N 457.502 2.275 10 20 JECD Cc1cccc(F)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796482630 KXRWVTXEPUULCQ-GPVSGQMNSA-N 464.497 2.130 10 20 JECD CC(C)(C)OC(=O)N1CCC(F)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)CC1 1796600774 CIXXMVLZGIWYNQ-BJWYYQGGSA-N 492.548 2.484 10 20 JECD Cc1cccc(C)c1SCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1797946872 DOJNQPYJZKTDBH-UPHUGPLXSA-N 457.552 2.105 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1798190970 SJFPDVBJVIYVKF-CULMDFNYSA-N 488.850 2.021 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncc[nH]1)C2 1798418682 ZDXGBNRVTWRRQJ-MHORFTMASA-N 499.568 2.209 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCSC(=N)N)C3)cc1 1799620582 UXYXDRPFTQAYAG-HATOLVCRSA-N 469.611 2.314 10 20 JECD COc1cc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(C)c1 1799722602 NKZMUHHZUSVWAD-HBNMSFMJSA-N 490.560 2.308 10 20 JECD Cc1ncc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)s1 1802915487 CLSDGHGDNNTZLK-VBUUOAMHSA-N 451.552 2.425 10 20 JECD O=C(/C=C/c1cccnc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1804637154 FOMAPAZRCYQRTO-KXJNKWKMSA-N 481.603 2.056 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807999691 MVNSOHGIPMLVFU-NYHFZMIOSA-N 493.476 2.443 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c(C)n1C 1811237710 DXAYYMFHRHIYAJ-DYESRHJHSA-N 485.635 2.217 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1cc(CO)on1 1811592257 LGIVBOQLEKDPLF-DJJJIMSYSA-N 472.885 2.260 10 20 JECD O=C(CC1(O)CCC1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813635471 XPXUVDYBIIYILC-CYFREDJKSA-N 475.549 2.185 10 20 JECD Nc1c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)sc2nccnc12 1815250971 BGCGXDYRZHTJTN-VIFPVBQESA-N 483.535 2.076 10 20 JECD Cn1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)n1 1816482910 NIFPPYPYQVOWBP-BVBGJJFLSA-N 452.471 2.279 10 20 JECD O=C1Cc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)ccc2N1 1817845274 IVTARHJLTPSTRJ-KRWDZBQOSA-N 462.466 2.330 10 20 JECD Cc1cc(/C=C/C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)no1 1819475794 ZQACQBCNSZKPFH-NFAHFFEMSA-N 474.568 2.272 10 20 JECD CSCC[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1822431974 AJCKJFXMHBSTRQ-OALUTQOASA-N 484.582 2.309 10 20 JECD CCn1nc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cc1C 1823500132 QOYIVVCVTCXTOE-HNNXBMFYSA-N 475.600 2.101 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccoc2)[nH]n1 1823501496 ROGXREJPROUWGU-OAHLLOKOSA-N 461.569 2.488 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)[S@@](=O)c1ccccc1 1824569197 QFJFNNDZWPXGNT-TXRYHFHXSA-N 486.575 2.371 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)N1C[C@H]2C[C@H]2C1 1828199569 YXOUODHZGACRRZ-YPOVHQQRSA-N 484.578 2.226 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1ccc(F)nc1)CC2 1828239677 BILJDSVIESWSFB-LBPRGKRZSA-N 493.611 2.082 10 20 JECD Cc1cc(C)nc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1 1828242489 JDTXOFHVUDAHCF-LBPRGKRZSA-N 475.621 2.241 10 20 JECD COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)ccc1O 1830050485 XUKNBLLTPYHIQA-KRWDZBQOSA-N 491.635 2.494 10 20 JECD O=C(c1ccnnc1O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876259 GPAGKDYBVVXBNF-SUQGKYDKSA-N 468.510 2.246 10 20 JECD CCc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)no1 1832900336 HQDTXVWIMRILLW-KRWDZBQOSA-N 464.613 2.331 10 20 JECD CC(C)O[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901162 PXYGBAMOTZPSCD-WBVHZDCISA-N 455.646 2.280 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cn4cc(Cl)ccc4n3)CC2)CC1)c1cc(O)nc(O)c1 1834987650 RAKSBKXEWLGFGA-UHFFFAOYSA-N 498.971 2.293 10 20 JECD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1O 1839267648 CZCJYIUFINQRDF-HSZRJFAPSA-N 476.913 2.149 10 20 JECD CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1839348488 CIKDDXMZGGTDFE-HHHXNRCGSA-N 496.608 2.033 10 20 JECD CN(C)[C@H](C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1)c1ccc(Cl)cc1 1847055727 PKSAUPDILCCPJI-SFHVURJKSA-N 481.043 2.006 10 20 JECD Cc1cc(C(=O)COC(=O)C[C@H](NC(N)=O)c2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 11939618 PHWJFCJTPBYWBG-NRFANRHFSA-N 498.561 2.267 10 20 JECD Cc1cc(C(=O)CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 16544352 XRGVHJVOBDHXNF-KRWDZBQOSA-N 483.493 2.233 10 20 JECD CN(C)c1ccc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)cc1 24378572 FAMGLYIARMSMNX-LJQANCHMSA-N 496.427 2.365 10 20 JECD CN(C)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1F 116150921 LEGZONFXVJBNHQ-UHFFFAOYSA-N 477.558 2.380 10 20 JECD COc1ccc(CN2C[C@H](C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2=O)cc1 726502027 BSSAFSKRXBPPOT-NHCUHLMSSA-N 464.566 2.062 10 20 JECD CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 727243637 SQOFPYUSJBZQPU-UHFFFAOYSA-N 453.523 2.248 10 20 JECD C[C@@H](NC(=O)NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(N2CCOCC2)cc1 729227260 ZPPZANGZHAXQNA-GOSISDBHSA-N 466.586 2.180 10 20 JECD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc3c(c2)CCCN3C)o1 746814522 MXKZUVQTVSPHRQ-LJQANCHMSA-N 475.567 2.308 10 20 JECD O=C(CSc1cccc[n+]1[O-])NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 747925977 OPBBKZPSLRJBOD-YBEGLDIGSA-N 475.573 2.158 10 20 JECD COc1cccc(-c2nnn(CC(=O)c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)n2)c1 825276198 BQNFIIQYNQNJRT-UHFFFAOYSA-N 466.523 2.287 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCCNS(=O)(=O)c3ccccc3)cc2F)C[C@H](C)O1 918203167 WDQNKEWLCUIZPK-IRXDYDNUSA-N 464.563 2.217 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3-n3cncn3)cc2F)C[C@@H](C)O1 918287296 OYLFINWOYYWRIM-IYBDPMFKSA-N 452.490 2.275 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 918443687 XVAJNCQDZPUXKL-UHFFFAOYSA-N 450.539 2.499 10 20 JECD CCOC(=O)N1CCC[C@H](C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 919063509 WOUJCTHCJSZIEA-LNLFQRSKSA-N 479.549 2.467 10 20 JECD Cc1cc(C(=O)COC(=O)c2cnsn2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 919485203 XJSFLHQGBHYAKH-UHFFFAOYSA-N 490.563 2.006 10 20 JECD C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)CS2 919697970 PWFZVFBTGLNHJZ-AUSIDOKSSA-N 470.574 2.013 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 919791972 KZQAVZFIGDIHMJ-UHFFFAOYSA-N 479.002 2.393 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3cc(F)cc(F)c3)cc2F)C[C@@H](C)O1 920655531 DMZNAFOFLPGJMY-GASCZTMLSA-N 493.482 2.307 10 20 JECD COCCn1nccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1778233833 AJTQWXZRPGAHMM-AUSIDOKSSA-N 492.960 2.035 10 20 JECD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)cc2c[nH]nc12 1782258759 VXLFLWUKHABBBH-SANMLTNESA-N 486.532 2.108 10 20 JECD COc1ccc(F)cc1CC(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1784088416 DQMJKAXPBMLJMU-UWCCTICSSA-N 486.496 2.037 10 20 JECD COc1cccc(OC)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792218382 YJSJBKQPOMOEME-UERRGCGHSA-N 498.532 2.127 10 20 JECD Cc1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)no1 1794061842 SWHPQSCUIYQOPT-IRJINJETSA-N 463.538 2.231 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@]2(C)CCCN2)C3)cc1 1799620882 LTKQEUUEHLPGPT-KNZHSQOXSA-N 450.583 2.439 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@H]1CCc2ccccc2C1 1800683419 DENGSYHRUHJQJB-FFMJMOGRSA-N 478.545 2.211 10 20 JECD CC1(C)CCC(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CSC2=S)CC1 1802106981 DBMAMCGLLRAPBR-CWPLJXCYSA-N 467.657 2.043 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)[C@@H](O)c1ccco1 1802530957 WLLWSGJUSYPDQM-VEEVPJGTSA-N 479.489 2.244 10 20 JECD O=C(CCc1cc(F)ccn1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804446722 LQCBEQFWPKMIQL-HJPURHCSSA-N 465.485 2.374 10 20 JECD Cn1ncc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1C(F)(F)F 1804821287 GNTVCMJTZIGCHG-UGSOOPFHSA-N 490.442 2.274 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cncn1-c1ccncc1 1805105363 UCIJHELHMSTIQL-SBUREZEXSA-N 485.504 2.102 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810962955 WWTUJHNPPKDZMF-YJYMSZOUSA-N 490.442 2.274 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810625 WAKMOLYFNNXNGE-GDIGMMSISA-N 493.969 2.043 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2sccc2F)[C@@H]1c1cccnc1 1814184984 JUGDWKSVDGQTSG-SUMWQHHRSA-N 478.596 2.462 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)CCc2ccoc2)[C@@H]1c1cccnc1 1814191044 GJUFFQKPAORPNZ-DYESRHJHSA-N 472.592 2.174 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@H]1COc2ccccc2O1 1815674904 IUGUBYOYFUWYSO-MAUKXSAKSA-N 465.466 2.362 10 20 JECD COc1cccc(CCC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)n1 1816721122 FXDJDZCUUKWBNP-AWEZNQCLSA-N 469.523 2.212 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1ccnnc1O 1820052836 UJYCMLGTBJAOTE-SFHVURJKSA-N 474.481 2.004 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc(-n2cccn2)nc1 1820735401 SHDFCESBUNEJIB-AWEZNQCLSA-N 477.506 2.070 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)c3cnn4c3OCCC4)sc2C1 1824002378 YLVIRWANJFUCID-LPZVBRGNSA-N 497.533 2.178 10 20 JECD CCn1nc(C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1827424742 NPBAZQLSAMQDID-KRWDZBQOSA-N 477.656 2.305 10 20 JECD O=C(c1nc2ccccn2n1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827426547 ZKWIDHRBTIMOPU-QGZVFWFLSA-N 450.499 2.083 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cc(C(F)(F)F)ccn1 1835969829 UFMDTQICCIQWFM-UHFFFAOYSA-N 493.486 2.406 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4cccc(Cl)c34)C2)C1 1836418354 PLMIZAJAKWVPDJ-QHCPKHFHSA-N 486.912 2.011 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)ccn1)CCO2 1837865648 OSPRODREWGCSIQ-OAQYLSRUSA-N 482.320 2.183 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)c3ccncc3O)CC2)CC1 1838446349 HGLJOOQQYPLZPN-DUXPYHPUSA-N 483.521 2.230 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1839433315 FSHPKVGTHACYPR-HSZRJFAPSA-N 486.912 2.011 10 20 JECD O=C(c1cc(Br)cnc1Cl)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250215 YFNWZKIVGGIBMA-UHFFFAOYSA-N 467.707 2.435 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCCOC2)C1 1847030802 RHRCGNXTGZFVBD-PZJWPPBQSA-N 486.613 2.335 10 20 JECD COc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1S(=O)(=O)NC1CC1 19417366 NVGRGETWQIKUKY-UHFFFAOYSA-N 475.567 2.017 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@H](CNC(=O)C(C)C)C3)CC2)cc1 726234846 ZXDZOBHJYWKWFN-OAQYLSRUSA-N 459.635 2.401 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(CN4CCC(C(N)=O)CC4)c3)CC2)cc1 726726692 VIFZVYDXTHEOSZ-UHFFFAOYSA-N 493.608 2.116 10 20 JECD O=C(Nc1cccnc1N1CCOCC1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726728216 XHGKMEAYUXZVLE-UHFFFAOYSA-N 475.496 2.243 10 20 JECD CCN(CC)S(=O)(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1 917080345 GMEZGTAELXYVBZ-UHFFFAOYSA-N 490.626 2.252 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 918284837 REAGTCZPDYCOFY-UHFFFAOYSA-N 464.497 2.127 10 20 JECD Cc1c(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(=O)n(-c2ccccc2)n1C 918288926 XSFSGMDNFLIYMD-IRXDYDNUSA-N 495.555 2.492 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1cccc(Cl)c1-n1cncn1 918309663 DITFIFGXQNYCDM-UHFFFAOYSA-N 454.918 2.354 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(S(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1 918820153 LPLXTCHJXCKOTH-HZPDHXFCSA-N 478.542 2.316 10 20 JECD O=C(COC(=O)c1cncn1-c1ccc(F)cc1)NCc1ccc(N2CCOCC2)c(F)c1 919002469 YONBFFZUTJWPGA-UHFFFAOYSA-N 456.449 2.460 10 20 JECD CN(C)C(=O)C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 920048501 IRSXZEVSTPCLLH-UNMCSNQZSA-N 451.571 2.407 10 20 JECD O=C(NCCNC(=O)c1ccc(F)cc1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 920054964 JAAOEDOIWVVQEV-UHFFFAOYSA-N 495.534 2.311 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(-c2ccco2)no1 1777839573 QSNYRFUKULUTES-WZONZLPQSA-N 468.466 2.182 10 20 JECD Cc1onc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1C 1778126542 BSUPNAYWXCDWRE-CJFMBICVSA-N 479.537 2.212 10 20 JECD Cc1c(Br)cc(F)cc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1780202789 PTYVAOASHWWIKN-OAQYLSRUSA-N 494.317 2.460 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1nccc3[nH]ccc13)CCO2 1782002225 SUIKBNJXWZOHEI-JOCHJYFZSA-N 456.886 2.385 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CSCC(=O)O)C3)C2)cc1 1783958087 ANDQZFLVQWLVRO-DEOSSOPVSA-N 471.579 2.355 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790246331 XRCPLVRVLMCGEY-DFHZNHDVSA-N 475.929 2.207 10 20 JECD O=C(COc1cccc(Cl)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1792749678 KMVYYNLSISBNEY-KPWQLMOHSA-N 488.924 2.139 10 20 JECD CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796603320 JBSXCANYUXLLPQ-YVSFHVDLSA-N 462.547 2.438 10 20 JECD Cn1c(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc2ccccc21 1802078772 DWEQONYTGPBBQP-KYZQAEAJSA-N 491.544 2.141 10 20 JECD CC(=O)N(C)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1804072962 NSPCKLDCVVGSDU-IIBYNOLFSA-N 474.945 2.334 10 20 JECD O=C1Cc2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)/C=C/c3ccc(O)c(O)c3O)c2N1 1804289885 YDJKLVWQPWVLGI-FJXIAYRNSA-N 463.490 2.263 10 20 JECD O=C(/C=C/C(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1)NCc1ccccc1 1805480076 ZTLBHZIFUJEFLJ-BQYQJAHWSA-N 478.549 2.210 10 20 JECD Cc1[nH]nc(C(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)c1F 1807771253 YDSZMACYLCZSHC-UHFFFAOYSA-N 466.517 2.495 10 20 JECD Cc1[nH]nc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)c1F 1808464863 PWVRFIOUWDSZDI-UZUQRXQVSA-N 489.511 2.365 10 20 JECD Cc1nnsc1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1808650502 SDURWSVQGVSRFY-ROISZYCASA-N 481.534 2.391 10 20 JECD COc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccc1O 1811942712 LNPPDGYMGNHRHA-OPAMFIHVSA-N 464.478 2.235 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)n1cccn1 1814165537 HIOGCSADPFWRBA-PJZHBHPDSA-N 477.521 2.375 10 20 JECD COc1cncc(CCC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1 1816721919 RQFSZEMHOZJHFE-CQSZACIVSA-N 469.523 2.212 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]c3c1CCCC3)CC2)c1cc(O)nc(O)c1 1816725829 PWGQMLAECJFTKX-LLVKDONJSA-N 454.512 2.091 10 20 JECD Cc1nc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cs1 1823495942 GBGPWQLRLSDWFM-CYBMUJFWSA-N 464.598 2.341 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCOC3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1828184955 PIPHJIOMBAAILC-HUUCEWRRSA-N 467.551 2.275 10 20 JECD CC(C)n1cnc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)n1 1835206105 WNYFNUDKAVYYHD-UHFFFAOYSA-N 490.992 2.423 10 20 JECD CC(=O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1836807869 PHIPIYHWBJASDD-FNORWQNLSA-N 474.554 2.430 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cccc4c[nH]nc34)CC2)CC1 1838031584 RPYLINNZECRGJN-UHFFFAOYSA-N 465.510 2.295 10 20 JECD CNCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1839348360 PQMBLCVYTZLKED-SANMLTNESA-N 468.598 2.164 10 20 JECD CCNC(=O)COc1cccc(NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 743286765 PXWMNPMRXNHZQJ-UHFFFAOYSA-N 455.559 2.154 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(NC(=O)C(C)C)cc3)CC2)cc1 743433139 XJJFKYBPMGZOJD-UHFFFAOYSA-N 467.570 2.167 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)cc2F)C[C@@H](C)O1 750130801 CAGTUVKJEYRRHS-MBOZVWFJSA-N 475.561 2.247 10 20 JECD CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)cc2)CC1 857494298 MDKFMTNRZMREQM-DEOSSOPVSA-N 498.649 2.213 10 20 JECD CCCS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 900662240 NNMJQIMMAKAKDP-UHFFFAOYSA-N 475.567 2.353 10 20 JECD Cc1cc(C(=O)NCCN2CCS(=O)(=O)CC2)c(C)n1-c1ccc(Br)cc1 915264358 QTOUKRDLLFBHBM-UHFFFAOYSA-N 454.390 2.317 10 20 JECD CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)c3ccc(O)c(O)c3)CC2)c1 916611566 QMMWDXASDUONPC-UHFFFAOYSA-N 461.492 2.127 10 20 JECD COc1c(F)cc(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1S(N)(=O)=O 918139835 FYKFWJRVRQCMAQ-KBPBESRZSA-N 483.537 2.093 10 20 JECD Cc1c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nnn1-c1cccc(Cl)c1 918338155 VTWAGHLWIDHOTF-UHFFFAOYSA-N 459.959 2.394 10 20 JECD CN(C)c1ccc(CN(C(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)C2CC2)cc1 918456561 LSEVYSMGOFTLOA-UHFFFAOYSA-N 470.595 2.083 10 20 JECD C[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 920636609 DHMXVZLYYIDMSO-URNNUDQISA-N 479.555 2.104 10 20 JECD CCn1nc(C)cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1777846908 XONLGNCQWBPVTF-FFROZUAJSA-N 484.553 2.169 10 20 JECD Cc1ccc(C)c(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1 1777850648 LKWJQNZMJVMGAV-CJFMBICVSA-N 453.539 2.480 10 20 JECD C[C@H]1CCc2c(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)n[nH]c21 1777855551 HZMCRJCRLVHENF-YTEVENLXSA-N 460.918 2.281 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCN4CCN(C)CC4)CCO3)C2)cc1 1781753888 OCUMNGKTTMYPGA-MUUNZHRXSA-N 493.652 2.175 10 20 JECD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)[S@@](=O)c1ccccc1 1782009620 XNWASCJMFHPDBQ-RKYFPIAGSA-N 492.981 2.391 10 20 JECD O=C(CC[C@@H]1CCOC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1782772217 UTFJLTJGAIHWPQ-KCVHQNEMSA-N 482.581 2.110 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnc4s3)C[C@@H]21)c1cc(O)nc(O)c1 1787292419 YLKKYOOQSCNGQG-BPUTZDHNSA-N 454.508 2.010 10 20 JECD CC(C)(Cc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787292445 QYRIFANCDPGEBX-IHPCNDPISA-N 453.539 2.355 10 20 JECD COCc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)c1 1789211019 VXWHLGNLFVVDJV-RFUYNDQBSA-N 463.918 2.133 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ncnn4C)C[C@@H]32)cc1 1790126342 UMIAPUUDNGZGBI-BVSLBCMMSA-N 462.554 2.130 10 20 JECD COc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1C 1791891304 HNHFOQQTPRFPCI-XZOYJPPVSA-N 490.560 2.390 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)C1CCC(F)(F)CC1 1793158920 IFZZLUHUOUKHLU-UPHUGPLXSA-N 474.508 2.194 10 20 JECD COC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1795134270 KFOZXIWLCOJOJW-IRJINJETSA-N 453.539 2.251 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC1CCCC1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479075 ASZGJEXORFLDLF-GPVSGQMNSA-N 470.595 2.045 10 20 JECD C[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1796482746 VNIFYAIBHGAXKS-MXVJPWMRSA-N 452.555 2.195 10 20 JECD CC[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)NC(=O)OC(C)(C)C 1796604828 QENVEUKVXLMJQQ-NXOAAHMSSA-N 462.547 2.438 10 20 JECD CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1796735144 AQRRJOLXZFVWSW-YVSFHVDLSA-N 494.614 2.391 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)OCO2 1797307094 QCJUVQPAHKZGAF-KFSMGIKGSA-N 452.463 2.497 10 20 JECD CCc1ncccc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1804991421 SPWIXEZGECYAIW-HRAATJIYSA-N 483.619 2.219 10 20 JECD O=C(COc1ccccc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1806480939 VFZOGIJFYYZOBS-VGSWGCGISA-N 484.603 2.027 10 20 JECD C[C@H](Nc1nccs1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807992421 ADPACYPPFXDMLN-OHNRDTAOSA-N 468.539 2.165 10 20 JECD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1808911513 UTGQMVDVJALSSG-RDTXWAMCSA-N 475.621 2.026 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc2ncsc2[nH]1 1810578167 CUQIGVJSTBMMDA-BFUOFWGJSA-N 464.507 2.459 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1ccc(O)nc1 1811462745 HMORALIAJGCFHT-MHECFPHRSA-N 484.516 2.295 10 20 JECD CCOC(=O)c1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccn1 1811525644 UKXVTKHOONPXKM-JTSKRJEESA-N 491.504 2.093 10 20 JECD O=C(COc1ccc(F)cc1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1813732439 QWWZQSDSXPUWKK-LBPRGKRZSA-N 494.595 2.134 10 20 JECD Cc1cc(CCC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)ccn1 1814185573 SMSRJJMPRPUQPU-XXBNENTESA-N 497.646 2.284 10 20 JECD Cn1nc2c(c1C(=O)Nc1cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n1)CCC2 1821528634 MEQORAABFWUUFP-INIZCTEOSA-N 451.487 2.058 10 20 JECD COC(=O)C1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)CC1 1821997613 JCCPOAZJMNWHQC-GOSISDBHSA-N 478.509 2.148 10 20 JECD COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)n(C)n1 1825479491 CRPYEXGWGNTPNE-PDFOZTTASA-N 484.553 2.492 10 20 JECD Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828199986 IFQNGGGRSNCLBO-BOSPYUDASA-N 497.577 2.478 10 20 JECD CCOC(=O)N[C@@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739960 VSUCXYAMQMSVPZ-APWZRJJASA-N 483.949 2.049 10 20 JECD COCCOCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877643 WLHOLZDHVPRMOQ-ZLQZBKBYSA-N 462.543 2.099 10 20 JECD CCOC(=O)O[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899341 FCNMQRNCOIBVTH-GOEBONIOSA-N 485.628 2.028 10 20 JECD CC[C@H](C)[C@@H](N)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837847749 CHZPTCDSJPLOAF-MHECFPHRSA-N 483.613 2.151 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)[C@@H]3CC3(F)F)CC2)CC1 1838110351 AZQWMGSCEMCPOW-IBGZPJMESA-N 474.508 2.433 10 20 JECD CC(=O)N/C(C)=C/C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838687925 PXSZKAYVDHTAJY-SDNWHVSQSA-N 479.961 2.403 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)c4ccco4)C3)C2)cc1 1839348975 WUOULMAKSSAKJC-RPLLCQBOSA-N 493.560 2.491 10 20 JECD CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(O)cc1 1841059828 RSBXMWOLIDECIZ-HXUWFJFHSA-N 498.536 2.281 10 20 JECD CC(C)Cc1cc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)n(C)n1 1843441735 BLRMAHJMPDLIFN-UHFFFAOYSA-N 462.554 2.229 10 20 JECD COc1cc(OC)c(F)c(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1844707412 QRUHYUPKUWZYLE-UHFFFAOYSA-N 480.496 2.453 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cc(I)ccc2F)C1 1846904706 MXSQSAAGAQMSEK-UHFFFAOYSA-N 497.264 2.367 10 20 JECD COC(=O)c1ccc(CC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)s1 1847038134 BKWNKRYNKDNVGV-XBXARRHUSA-N 472.519 2.111 10 20 JECD CCN1CCN(C(=O)c2ccc(NC(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)cc2)CC1 744796988 UOSIVDHHQOZSTL-UHFFFAOYSA-N 494.640 2.417 10 20 JECD O=C(NCC(=O)N1CCN(c2ccccc2)CC1)NCc1ccc(N2CCC(CO)CC2)cc1 749214701 FSEBSGMTKOEDTM-UHFFFAOYSA-N 465.598 2.043 10 20 JECD C[C@H](OC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C(=O)N1CCC[C@@H](C(N)=O)C1 913361804 RWGUCGODVYNLHA-FWUQKTEZSA-N 495.648 2.385 10 20 JECD CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 916458130 WEYXJKCKBYCGIG-UHFFFAOYSA-N 463.522 2.220 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)Cn3nnc(COc4ccccc4)n3)cc2F)C[C@@H](C)O1 917709913 HGEDTTKADVYFFO-IAGOWNOFSA-N 454.506 2.321 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)c3sccc3S(=O)(=O)N3CCOCC3)cc2F)C[C@@H](C)O1 917714420 VZONAQPZTJTBTB-HZPDHXFCSA-N 497.614 2.452 10 20 JECD CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 918309981 LGMJPZCUFIPFES-UHFFFAOYSA-N 488.610 2.151 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(-c2cc[nH]n2)cc1 1781064957 ANEIKPDTKBROPB-CJFMBICVSA-N 477.521 2.324 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnn3c1OCCC3)C2)c1cc(O)c(O)c(Cl)c1 1781123041 OVHQNDYNETUGGF-WZONZLPQSA-N 490.944 2.172 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1782007967 QKBZCJUXIARANX-QFIPXVFZSA-N 456.886 2.156 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CCCO4)C2)C1 1784965498 NHDUJOCCRDDCHY-OZJHFHSKSA-N 480.517 2.285 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787538482 CFJXQONDXAAQCC-DUPRYPCISA-N 474.508 2.194 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccccc1F 1789436538 GEYDHOQXMFWCOC-PFAFGPMFSA-N 456.470 2.249 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cc1 1792221131 FGRPNFOXUHABBS-CUDYJJFBSA-N 495.532 2.069 10 20 JECD Cc1[nH]nc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)c1F 1792313919 KFOQFZGZFWYHIH-UHFFFAOYSA-N 461.544 2.465 10 20 JECD Cc1cc(C)n(CC(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)n1 1792314161 ZOMKWBLALUMLNO-UHFFFAOYSA-N 471.608 2.494 10 20 JECD CC(C)(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)ccn1 1794299564 KMUFDMUZNLOFQI-NHKMSHSESA-N 489.576 2.375 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479278 LPTNXMZTFWAIRI-YHPRZLSOSA-N 490.535 2.312 10 20 JECD COc1cccc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796480640 BRZAVFUZLQCTQP-BSBJNGEVSA-N 488.544 2.091 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc2ncoc2c1 1797075694 HSEGDLMALSQSRO-HBCWATKFSA-N 457.870 2.409 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOCC2)C3)cc1 1799620001 GZTPPXVCPWXVOJ-MWZSMPGESA-N 480.609 2.020 10 20 JECD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)nc2nccn12 1804289877 XUOBRXSEUGIVBS-ZURAMSNBSA-N 463.494 2.120 10 20 JECD O=C(CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)Nc1ccccc1 1804334556 QEGKVBUIVSKFRA-BCDXTJNWSA-N 488.635 2.294 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cncnc1 1805795028 OWDMKAFTXHMOKJ-NWWLCNQNSA-N 461.478 2.021 10 20 JECD O=C(Cc1ccsc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1807564369 GFEQEDPBORRTKT-UZLBHIALSA-N 474.633 2.252 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(F)nc2F)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993291 VPLCVLPYKVQZEY-DJJJIMSYSA-N 455.421 2.194 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccccc2-n2nccn2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808000753 QKVNHZJDWOAQQP-GAJHUEQPSA-N 485.504 2.102 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(Cl)c2nncn2c1 1810229755 FDZTYWFWTAUCAY-JLTOFOAXSA-N 493.911 2.217 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)n1ccnc1 1814161116 BSGOXFLHDRSEOQ-HSKJXNFDSA-N 477.521 2.375 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cccc(O)n2)[C@H]1c1cccnc1 1814161641 AVFDEWJBCFZHMK-GFINEQOMSA-N 476.489 2.332 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cnc(Cl)s2)[C@H]1c1cccnc1 1814189808 ZMPLUWJQRJTVSI-WBMJQRKESA-N 496.039 2.371 10 20 JECD O=C(CNC(=O)c1ccco1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1815654864 YMTDHDRWDXLNJP-NSHDSACASA-N 490.925 2.457 10 20 JECD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)n(C(F)F)n1 1816727016 BIJPSFUJLMCHQF-SNVBAGLBSA-N 464.454 2.389 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccnc3[nH]2)[nH]n1 1823499932 GRHDXUBERDMBDF-HNNXBMFYSA-N 483.579 2.452 10 20 JECD Cc1nn[nH]c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715168 HLJDSYGORPCGCV-FQEVSTJZSA-N 463.542 2.139 10 20 JECD COC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1829119483 XJOSRNIHLJGLCP-OALUTQOASA-N 481.977 2.136 10 20 JECD CC1=C(C(=O)NC2CCN(C3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)CCO1 1834919384 UFCMCSKGVPBUER-UHFFFAOYSA-N 479.581 2.045 10 20 JECD COc1cc(F)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1840641457 HIQPOVWLNDCUCW-HSZRJFAPSA-N 494.903 2.283 10 20 JECD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1F 1840794043 HCXFMGNIFHTJLS-QHCPKHFHSA-N 494.903 2.283 10 20 JECD CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)c1ccc(O)cc1 1843249400 GSSTVDOIRIXHEB-FQEVSTJZSA-N 498.536 2.281 10 20 JECD CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250490 GBYDOLNXTJAFBU-KBXCAEBGSA-N 462.547 2.249 10 20 JECD C=C(Oc1ccccc1O)C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441564 IEVCDXURQPKPBG-UHFFFAOYSA-N 460.490 2.281 10 20 JECD Cc1cc(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c(C)n1-c1ccccc1 18392723 TWJTWKBDNMBKRJ-UHFFFAOYSA-N 485.562 2.493 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(CN4CCCC4=O)cc3)CC2)cc1 104874999 FSHBZENGIYGZST-UHFFFAOYSA-N 451.523 2.323 10 20 JECD Cc1cc(C(=O)NCCS(=O)(=O)N2CCOCC2)c(C)n1-c1cccc(Br)c1 109638292 UINJEKCFAQPNHB-UHFFFAOYSA-N 470.389 2.248 10 20 JECD NC(=O)c1ccc(N2CCN(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)CC2)nc1 726705206 GDORRDABEYQVNB-UHFFFAOYSA-N 474.512 2.283 10 20 JECD Cc1nnnn1-c1cc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1F 727938716 JWWHIBHRAZFYSH-MRXNPFEDSA-N 452.494 2.133 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(COC(C)C)cc3)CC2)cc1 743433104 WOLDCFCNGNUDHV-UHFFFAOYSA-N 454.571 2.497 10 20 JECD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 747012520 ZPVIIZWRULGLKA-UHFFFAOYSA-N 464.563 2.484 10 20 JECD COc1ccc2c(c1)OC[C@H](C(=O)OCC(=O)NCc1ccc(N3CCOCC3)c(F)c1)C2 747526801 DCCDCSOJGFZCBI-GOSISDBHSA-N 458.486 2.082 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 822031070 DKGRQAXXGGTDOS-XWPLZZTOSA-N 493.651 2.105 10 20 JECD CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCCN3C(=O)OCC(F)(F)F)cc2)CC1 857494645 SVDHPIJXTBQOLI-GOSISDBHSA-N 456.465 2.135 10 20 JECD CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 906485584 KVLVRONFMLVJFU-UHFFFAOYSA-N 478.577 2.404 10 20 JECD Cn1ncc2c(O)nc(CCC(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)nc21 916457131 XGWIWHZEJOBBMH-UHFFFAOYSA-N 464.448 2.173 10 20 JECD CCOc1ccccc1N1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 916975271 RHUAYHFCTQIOKM-UHFFFAOYSA-N 456.562 2.499 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])cc2)C1 917391340 RZTVXSZQQMFBQE-IBGZPJMESA-N 467.526 2.381 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccnc3-n3cccn3)cc2F)C[C@H](C)O1 918287995 SBLGTZZAJQFAID-HOTGVXAUSA-N 452.490 2.275 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)CC2)cc1 918462084 QORYJEYIDZAJJQ-UHFFFAOYSA-N 464.522 2.022 10 20 JECD O=C(COC(=O)CS(=O)(=O)C1CCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 919277130 MGJXYBADXNFTFN-UHFFFAOYSA-N 455.488 2.301 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CCN3CCCS3(=O)=O)c2C)cc1 919441983 TUPVGRJYFMHMIN-UHFFFAOYSA-N 462.524 2.032 10 20 JECD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 919969265 HJEBIBBOLMNAPG-UHFFFAOYSA-N 499.992 2.295 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 920195612 WPBVSEYTTUPUGX-UHFFFAOYSA-N 464.566 2.333 10 20 JECD COCCN1C(=O)/C(=C\Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)C(=O)NC1=S 920979850 KDQXTHXCEIORSC-QINSGFPZSA-N 492.554 2.120 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC1Cc3ccccc3C1)C2)c1cc(O)nc(O)c1 1777851445 JTNYABOSJWBZKM-QFQXNSOFSA-N 465.550 2.425 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)N2CCN(C)CC2)CCO3)cc1 1781754458 UTVJJSVBXUIOSM-NEKDWFFYSA-N 493.652 2.174 10 20 JECD CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)ccn1 1782007010 GANINONAHRMDBN-HSZRJFAPSA-N 489.912 2.080 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)[C@@H]1C[C@@H]1c1ccccc1 1782132045 CXBZARHWPFOWBJ-ZVVFGRKBSA-N 487.647 2.164 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c3cccc(Cl)c13)CCO2 1785541689 XZMWWNJDXUXSIR-NRFANRHFSA-N 493.010 2.125 10 20 JECD O=C(CNc1ccc(F)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1786811797 RGPNXBGNYLUTHH-HYVJGQCMSA-N 493.539 2.010 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)ccc1Br 1787295400 NAZMKIMFZOYKIR-ZVZYQTTQSA-N 490.354 2.471 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncncc4c3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539444 FLVSQHVXJWZCCL-XZOYJPPVSA-N 498.543 2.016 10 20 JECD Nc1nc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)cs1 1788079608 ODASHJIBDFSSOA-UHFFFAOYSA-N 461.594 2.333 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4CN(C)C4)C[C@@H]32)cc1 1790125699 LERYEUBQURXEJK-OYDLWJJNSA-N 450.583 2.249 10 20 JECD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)cs1 1790242001 DHXJGIOCVQGMEJ-BNLOLNQZSA-N 451.932 2.423 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C3CC3)C[C@@H]21 1792245301 MITOJKYGOKKKIY-SNRMKQJTSA-N 473.620 2.018 10 20 JECD C[C@H](C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1)N1C[C@H]2C[C@H]2C1 1792315248 UBBJTFONDZGZBO-OAGGEKHMSA-N 472.636 2.321 10 20 JECD CC(C)(C)OC(=O)N1CC2(CC(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(O)nc(O)c3)C2)C1 1796602445 JUMFXEWNCCMPLP-BCDXTJNWSA-N 486.569 2.392 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807993140 DNNBIENZVNFZML-OPJGWUQDSA-N 487.560 2.264 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc2c(c1)COC2 1809312637 VDYCQUBSOJAQDF-VGSWGCGISA-N 496.614 2.292 10 20 JECD CC(=O)Nc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1809595149 GAYYTTJOATWZPG-DFBJGRDBSA-N 489.532 2.409 10 20 JECD Cn1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)n1 1811803227 GKAPQPWXSJUPGH-YCRPNKLZSA-N 469.929 2.442 10 20 JECD COC(=O)C1(C(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)CC1 1811809167 HNUAEONMLSGQAX-KDOFPFPSSA-N 473.913 2.419 10 20 JECD CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1813621014 ZTFBIFGLIXXOGL-LQBOVUBWSA-N 453.543 2.080 10 20 JECD Cc1ccc(C(=O)C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1814190089 QEBYFPCUCCRQMI-RXVVDRJESA-N 496.614 2.139 10 20 JECD O=C(CNc1ccc(F)cc1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1814835939 BWJIYJYZNAJVKP-CQSZACIVSA-N 457.487 2.426 10 20 JECD Cc1ccn(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)n1 1815958341 DENUXHSELWVCEI-JKNJVXJCSA-N 466.498 2.437 10 20 JECD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)N1CSCSC1 1816726275 SGONMXOYNZHTIN-PWSUYJOCSA-N 481.625 2.218 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc(CO)c(F)c1 1827906484 YXGSRNCIYYANHY-CYBMUJFWSA-N 458.471 2.120 10 20 JECD Cc1ccc(O)c(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1 1828246913 IHDSUKYIKXLCBA-NSHDSACASA-N 476.605 2.243 10 20 JECD CC(=O)N/C(C)=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1831084392 JNEXCYPFCICUCG-VISRBYEJSA-N 471.554 2.476 10 20 JECD Cc1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cn1 1834985870 LZLNGCXOXGWNPE-UHFFFAOYSA-N 467.570 2.014 10 20 JECD Cc1ccn2ncc(C(=O)N3CCC(OC4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)c2c1 1838031597 SYDCTUZMQBCENK-UHFFFAOYSA-N 479.537 2.375 10 20 JECD COc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)nn1 1838511888 VDLICKBSEGRSQW-UHFFFAOYSA-N 490.944 2.476 10 20 JECD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc(C)c1O 1839435085 DNGJILYDVMVLCC-DEOSSOPVSA-N 490.940 2.457 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)C2)C1 1840881162 GJKUFOGFBOKIMY-VRRPHTTDSA-N 494.544 2.077 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2ccnnc2)C1 1842398900 UQEMYINOCJCONT-HXUWFJFHSA-N 480.569 2.012 10 20 JECD CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250880 YGMITVCBNOVBSZ-OAQYLSRUSA-N 482.537 2.261 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCc3ccc(N(C)C)cc3)CC2=O)cc1 18215216 QDKHKIZIWMDVQT-LJQANCHMSA-N 472.611 2.452 10 20 JECD Cc1cc(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 23555986 TTWNQFNFECAGST-UHFFFAOYSA-N 481.505 2.456 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)C3CCN(C(=O)OCC(C)C)CC3)CC2)cc1 726205827 KPFFXZMDRSPMNG-UHFFFAOYSA-N 461.559 2.392 10 20 JECD Cc1nc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cn1C 727113731 WUVLSQQUOUOTRP-UHFFFAOYSA-N 478.552 2.491 10 20 JECD O=S(=O)(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc2c(c1)COC2 727833929 ANZIQYGNDCAIHJ-UHFFFAOYSA-N 469.542 2.451 10 20 JECD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 747991581 JEXHQUZPHQDXNY-UHFFFAOYSA-N 452.555 2.472 10 20 JECD NS(=O)(=O)c1ccc(CCNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 915883962 MNFYATZGZPSAHA-UHFFFAOYSA-N 486.516 2.231 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CCCCN3c3ncccn3)cc2F)C[C@@H](C)O1 919075330 JJJYRQWVWHGEHT-JBYIUTFZSA-N 485.560 2.448 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCN2c3cccc4cccc(c34)S2(=O)=O)c1 920635161 DHENADHVALXYCE-UHFFFAOYSA-N 462.505 2.283 10 20 JECD C[C@H](OC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)C(=O)N1CCOCC1 1343802726 YBAVKKSQIVCUKV-XBUHWIKASA-N 499.408 2.441 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3ccn(-c4ccccc4)n3)C2)C1 1780342058 VNEALVIVJQICRG-HHHXNRCGSA-N 498.543 2.109 10 20 JECD Cn1ncc2cc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)ccc21 1782005407 DHXKSYNMIKQAQD-QHCPKHFHSA-N 470.913 2.395 10 20 JECD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1cccs1 1782476936 DTWYFKQDWDBNFK-CMPZQBNXSA-N 481.665 2.226 10 20 JECD CC(C)c1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)CN2C(=O)CSC2=S)CCO3)cc1 1783430081 YDCCCUUOOXQZEE-QHCPKHFHSA-N 475.636 2.043 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccc2cnccc2n1 1787887427 YOJVIWUKTKYDOH-WXVUKLJWSA-N 498.543 2.016 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccnc(Cl)n1 1788875601 BJGRQIJZZAJGRH-PKWAYOAASA-N 467.309 2.102 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)C1 1791246248 AMMHVJOQVWUWMR-KXCAHRFWSA-N 494.972 2.324 10 20 JECD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)ccc1Br 1796139602 INPXGHDCVXVCIY-CCWDJLKJSA-N 476.327 2.081 10 20 JECD COc1ccc(OC)c(C(=O)CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)c1 1802262535 JCIRWOALRNVRQI-BJWYYQGGSA-N 483.521 2.425 10 20 JECD COCCCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1802983372 WLQIGQDIDQQZPG-BSIOYPLDSA-N 455.511 2.344 10 20 JECD CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1803596456 SAEIVLAHRSSJNF-DNVCBOLYSA-N 474.945 2.381 10 20 JECD O=C(Cc1ccccc1Cl)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804332436 YVEYJEMGGAAMHJ-QDMKHBRRSA-N 452.001 2.381 10 20 JECD O=C(COc1cccnc1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1804340728 GJXTUAZUCMRAFJ-MOQNJDDVSA-N 490.516 2.392 10 20 JECD Cc1nc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)ccc1F 1804944269 IZCFCEKXOGUJJP-QRWLVFNGSA-N 487.582 2.104 10 20 JECD Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1806605863 IFKQKVIVSPKUBK-CVDCTZTESA-N 482.631 2.499 10 20 JECD O=C(COCc1ccccc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1806880953 QISKCIRWWKHPAJ-WMZHIEFXSA-N 498.630 2.165 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc(O)n2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808467631 IWHDLDNSWWIYMI-MHECFPHRSA-N 484.516 2.295 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469563 PIKQNSITIUDDEJ-DCLXLUIPSA-N 475.549 2.307 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2ccc(O)cn2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470200 UBARCUGCTLOEPQ-NIYFSFCBSA-N 498.543 2.224 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cnc2ccc(F)cn12 1812238860 IELWTXHFIOZDML-IVZQSRNASA-N 476.468 2.308 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)[C@@H]1[C@H]2COC[C@H]21 1813659361 KJFWNUIMTXJERQ-FTDAXETJSA-N 457.914 2.358 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1nc3ccccc3[nH]1)CC2)c1cc(O)nc(O)c1 1816726397 YCKKCRBCRAWDBF-NSHDSACASA-N 450.480 2.365 10 20 JECD O=C(Cc1cccnc1)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362886 XRUVQQPLJMVVBT-MRXNPFEDSA-N 474.546 2.486 10 20 JECD CCc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)nn1C 1820963569 NHKJDCFMLYKZDV-CQSZACIVSA-N 491.577 2.458 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823475515 UMKWHBAXMGIUKH-QWYCDTIGSA-N 471.514 2.099 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3ccccn23)[nH]n1 1823498088 MFRILBMFAHCRPQ-CQSZACIVSA-N 483.579 2.224 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCOC1)CC2 1828199735 FQUHYKOPSCRPQA-CCRJBVLDSA-N 459.524 2.312 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3ccoc3cn1)CC2 1828246935 JQBOGVORIULVBX-LLVKDONJSA-N 487.588 2.370 10 20 JECD CC(C)c1cc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)n[nH]1 1828247597 ZSIWWUWAHWFPCT-JTQLQIEISA-N 478.625 2.076 10 20 JECD CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1831188408 SIPAMFQUOSUZRY-KDYSTLNUSA-N 496.608 2.079 10 20 JECD Cn1cncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876989 QOZDVFAIJPVEGZ-JHTBKMLMSA-N 454.527 2.484 10 20 JECD O=C(c1cscn1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898682 VVKDZRLASLVIRF-HNNXBMFYSA-N 452.627 2.237 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3nccc4[nH]ccc34)CC2)CC1 1838031514 KTZOZOVFJJQLRZ-UHFFFAOYSA-N 465.510 2.295 10 20 JECD Cc1cccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1840879929 NAHFXUFTPJORQG-VBIRRTOMSA-N 496.560 2.214 10 20 JECD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1841761725 ODIHNLIEPSODHY-UHFFFAOYSA-N 483.569 2.286 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)CC3CCCC3)cc2F)C[C@H](C)O1 725989161 HCHLAYZFUVJZDO-IRXDYDNUSA-N 463.550 2.295 10 20 JECD CC(C)(C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)n1cc([N+](=O)[O-])cn1 726502569 HXDDVHQDBXSJHS-UHFFFAOYSA-N 468.493 2.099 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1OCC(N)=O 731131290 JNVKGDGQRGYMRJ-UHFFFAOYSA-N 454.527 2.051 10 20 JECD COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)CC1 822953862 PPTZLTZVJIODCS-ZDUSSCGKSA-N 494.456 2.327 10 20 JECD C[C@H]1CN(C(=O)COC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CCO1 913364013 VMZYAPSXMYBDCW-IYVNWDGISA-N 499.408 2.441 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccc(OCc4noc(C)n4)cc3)nc12 918926302 CJSCYKHUKWHSSZ-UHFFFAOYSA-N 453.411 2.239 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1 920343104 UKIKAGWTZHNVBO-HZPDHXFCSA-N 494.545 2.332 10 20 JECD Cc1cc(C)cc(OCCN(C)C(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 920637781 IEMRDGTWOQNKQK-UHFFFAOYSA-N 450.513 2.075 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc(O)cc1 1780437232 WJRDADMWSUOKRQ-ATIYNZHBSA-N 476.533 2.313 10 20 JECD O=C(c1ccc(CO)c(F)c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007676 MGUVABTWQSMHOU-QFIPXVFZSA-N 464.877 2.140 10 20 JECD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1)n1cccc1C=O 1783222526 YLXFITWAMNBDDC-BXZVDQOMSA-N 497.548 2.206 10 20 JECD COc1ccc2cc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)[nH]c2c1 1785505519 JZLNVVNAZWHCHU-KCROQMHPSA-N 493.516 2.450 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(Cl)ccc3F)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537451 VIQPFHNKLRKMIK-QOKNQOGYSA-N 499.930 2.260 10 20 JECD CCn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)cc1C 1790244194 UEHJLYFJNUJSTF-RFUYNDQBSA-N 462.934 2.183 10 20 JECD CCN(CC)[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccccc1 1790670056 KBSKCIRHVIFETN-SODVOOIJSA-N 482.581 2.169 10 20 JECD Cn1cc(CCC(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)cn1 1792314025 WJYYNUXOUCZFNZ-UHFFFAOYSA-N 471.608 2.347 10 20 JECD CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799619901 JBPZJFYQRIQXGR-ACHVPNTGSA-N 480.609 2.460 10 20 JECD CCOc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799767133 RWMOHIUIMKTUMY-ZSBFGKGUSA-N 461.902 2.062 10 20 JECD CC(C)n1nccc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807995303 PCTBTOPGZVCUJR-IERDGZPVSA-N 450.499 2.299 10 20 JECD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808465487 WDBCYDNFQKUHRR-GOMRNUEMSA-N 477.565 2.287 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1n[nH]c2ccccc12 1809828170 OJUGWGLZPRPCGO-QRQCRPRQSA-N 458.478 2.398 10 20 JECD CO/C=C(\C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1810147669 PSJYYHOPEZWIGK-LHZMTJOASA-N 453.495 2.468 10 20 JECD CC(C)CNC(=O)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811804382 VZXBQCHDQJFWGA-HNAYVOBHSA-N 474.945 2.238 10 20 JECD Cn1cccc1C(=O)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813479435 NADLIRYGOYQRCE-KBUQRTECSA-N 490.516 2.139 10 20 JECD CCC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814130049 VFDHOQSXVPKGKT-BNQHHVCDSA-N 496.564 2.222 10 20 JECD COc1cccc(CC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1814186843 YPPKJPBXXJPVSW-MBSDFSHPSA-N 498.630 2.199 10 20 JECD CC(C)n1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)n1 1814189395 GOQXSKYLWITYPU-UZLBHIALSA-N 486.623 2.039 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1c[nH]c2nccc-2c1 1816835318 YVIUDGRVYFOECD-CYBMUJFWSA-N 450.480 2.317 10 20 JECD CCN(C)[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361671 BOJFCOBNWHZDGC-HUUCEWRRSA-N 468.583 2.188 10 20 JECD CC(=O)N/C(C)=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1821633899 NOXLFMPFOFHPAM-IURSYISVSA-N 477.525 2.235 10 20 JECD Cc1nn2cc(CC(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)nc2s1 1824811207 FNAZFADSTMTVRZ-GOSISDBHSA-N 484.582 2.381 10 20 JECD CC(C)c1nc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)no1 1825121305 PYLLGJPGRIIQCG-QGZVFWFLSA-N 457.531 2.475 10 20 JECD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)nn1C 1828195342 MJDHEXBROXJIEB-FLUIGGAXSA-N 469.523 2.241 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1cn3ncccc3n1)CC2 1828199521 XFCWXFKQIMHXGM-FLUIGGAXSA-N 492.517 2.242 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3nc[nH]c13)CC2 1828242872 UHKJROZCRAEMOU-JTQLQIEISA-N 486.604 2.106 10 20 JECD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)c1ccc(O)cc1 1828246629 GQLPTRQYDKHTPK-AAEUAGOBSA-N 490.632 2.425 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)c2ccnnc2O)CC1 1829537073 SYIWXCNJWJRPMO-NRFANRHFSA-N 476.537 2.208 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)Cc2ccccc2)CC1 1831551746 ZFVWXTUCVILZND-VQTJNVASSA-N 489.663 2.070 10 20 JECD CN(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cn1 1832901334 SZWWTWBIOTXJBY-SFHVURJKSA-N 489.667 2.241 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cnccc1C(F)(F)F 1834171511 XFRAZTVWXLIPLV-UHFFFAOYSA-N 493.486 2.406 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1841767137 LGPIFRKYUZYINP-IQIBNGDESA-N 473.526 2.029 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441343 ZTAJXTMRMLXRAM-QHCPKHFHSA-N 471.561 2.039 10 20 JECD CC(=O)Nc1ccc(CC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)cc1 1847037224 GABJAPDQAVYHLB-UXBLZVDNSA-N 465.506 2.221 10 20 JECD Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 108808686 CTRZYSQUOYNGFT-UHFFFAOYSA-N 466.567 2.313 10 20 JECD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 729285495 FAQPRXPOEFDXFC-FVJLSDCUSA-N 467.549 2.344 10 20 JECD Cc1noc(C)c1C(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 825248956 LHEHBXZWNNHTSV-LZYBPNLTSA-N 489.531 2.195 10 20 JECD CCNC(=O)NC(=O)COC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 913363992 VCOGKQLSZQHEMA-KPKJPENVSA-N 486.369 2.039 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCC(C)(C)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 914532658 RGMLKNXBDNHCQB-NHCUHLMSSA-N 461.651 2.394 10 20 JECD CCOC(=O)c1cnc(SCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nc1N 917184041 AJOBNYNQNUCXLA-KBPBESRZSA-N 477.562 2.397 10 20 JECD COC(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1Cl 918462503 BKGHMLDIWJZVJE-OAHLLOKOSA-N 472.929 2.083 10 20 JECD CN(C)C(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919729468 HCFNKXOJBGRSKJ-UHFFFAOYSA-N 498.584 2.123 10 20 JECD CC(C)n1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)n1 1781122775 MWKVZHNYDONKLT-VGOFRKELSA-N 477.949 2.365 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2)c1cc(O)c(O)c(Cl)c1 1781123128 WTIMEUHBIKJTEQ-QWNSIRQHSA-N 464.946 2.446 10 20 JECD C[C@H](Cc1ccccc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1782365600 LREZZHFCAZDFAJ-FLPMJASOSA-N 453.539 2.499 10 20 JECD Cc1ccsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1785910231 BEIKLUCAEBXYBJ-QRFRQXIXSA-N 466.563 2.443 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)ccn3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539762 SSFZOSPSIMPHAA-XERREHJYSA-N 481.940 2.121 10 20 JECD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1800610402 OIHUJCNAOVDTAN-YTRSHDDCSA-N 466.534 2.347 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nn[nH]c2c1)C1=NN(c2ccccc2)C(=O)C1 1801196370 UBVBMZNNQNUTHY-VBUUOAMHSA-N 457.494 2.003 10 20 JECD O=Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)s1 1807380981 BGHCGRZJPFSKBO-VBKZILBWSA-N 452.492 2.395 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)C1 1809506915 VHUHKHADJRXQOG-HRAATJIYSA-N 497.552 2.074 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cc2cccnc2[nH]1 1809904532 VUDPJMBKRXNOHN-OXJNMPFZSA-N 494.602 2.138 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1812868641 CSPMAXDDGHRMPS-MCHIPWSUSA-N 499.527 2.117 10 20 JECD CC(=O)N[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)C(C)(C)C 1815057795 KCBWKCAENHWLHN-BEFAXECRSA-N 458.519 2.073 10 20 JECD C[C@H](Cc1ccncc1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816730006 YELZEDJZWMYGPX-DOMZBBRYSA-N 453.524 2.449 10 20 JECD CN1CCN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CC1 1821291783 FADSSCWNGRUDIV-KRWDZBQOSA-N 476.965 2.028 10 20 JECD CN1CCCC[C@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1822587163 AQJPNTIULRGAAJ-BEFAXECRSA-N 480.594 2.332 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)COc2cccnn2)[nH]n1 1823480399 YGZAFLBADOSQMB-DYLHUKMJSA-N 480.481 2.101 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3C=CS[C@@H]23)[nH]n1 1823499426 GBIQQEMWPVHDDF-QMYPXSFVSA-N 463.610 2.137 10 20 JECD O=C(CNC(=O)c1ccco1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708672 MJEQNVQQMYUEQG-LLVKDONJSA-N 490.925 2.457 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)CSc2nc[nH]n2)CC1 1832150947 RJJWIVCOLXDERT-FQEVSTJZSA-N 495.609 2.309 10 20 JECD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)n1cccc1C=O 1832898616 SGNNUBOCPAJERT-VQIMIIECSA-N 490.651 2.342 10 20 JECD Cn1ncc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1Cl 1832901264 SJNRRPUDAFUGIH-HNNXBMFYSA-N 484.047 2.167 10 20 JECD Cc1cc(C)n(CC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)n1 1833839079 QFFOFRHRARUNAZ-UHFFFAOYSA-N 490.004 2.450 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(Cl)s1)CCO2 1838159529 HPZDARNUDFOGHZ-LJQANCHMSA-N 488.349 2.245 10 20 JECD CC(C)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)CCC1 1840611826 QTAGYQJTASBXIX-RUZDIDTESA-N 482.581 2.062 10 20 JECD C[C@@]1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CC=CCC1 1840881535 GEYANBJOZWENOS-ZSHMNPNXSA-N 472.538 2.019 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)CN1CCCCC1)C2 1843331434 XNFYDGCIUWNFBK-JOCHJYFZSA-N 499.656 2.394 10 20 JECD Cc1nc2sccn2c1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1844130673 KVVFZWYKJVDAKZ-UHFFFAOYSA-N 462.535 2.314 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)c1cccnc1)C2 1844251591 JVJPPUSPYLOUIA-IBGZPJMESA-N 496.564 2.446 10 20 JECD Cc1c(Br)c(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)nn1C 1844810998 RMFDEVPSOMAHPK-FNORWQNLSA-N 491.342 2.138 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)[C@H]2CCc3ccccc3O2)C1 1846334851 UHGJBFOMBGEQCG-JOCHJYFZSA-N 458.518 2.377 10 20 JECD CCN(CC(=O)NCc1ccc(N(C)C)cc1)CC(=O)Nc1ccc(N2CCOCC2)cc1 727178340 KPDAATVHZPGRDE-UHFFFAOYSA-N 453.587 2.166 10 20 JECD Cc1cc2[nH]c(=O)c(C(=O)O[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cn2n1 750211552 YUXPPNMIWHBFPY-CYBMUJFWSA-N 470.441 2.290 10 20 JECD CC(C)NC(=O)CNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 914443166 ROEXHFXUBXIYFU-QPEQYQDCSA-N 456.387 2.291 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)cc2F)C[C@@H](C)O1 917711541 NDFARHOOMDQTRD-RTBURBONSA-N 480.540 2.127 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cccc(C(=O)NC(C)(C)C)c3)CC2)cc1 918250363 PXXYEGUKNCGTFK-UHFFFAOYSA-N 495.624 2.491 10 20 JECD O=C1CSc2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2N1 918442939 YFIJMLGISUKMRL-UHFFFAOYSA-N 454.552 2.194 10 20 JECD CNC(=O)Cn1cc(NC(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cn1 918635336 YIOXTSPLLQWOBR-MKMNVTDBSA-N 494.396 2.232 10 20 JECD O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)NCc1ccc(N2CCOCC2)c(F)c1 918797785 CKAPNVAUVJDBKH-UHFFFAOYSA-N 468.485 2.005 10 20 JECD CCOC(=O)N1CCC(C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 918840814 MXPCLQJJCNEUSH-IAGOWNOFSA-N 479.549 2.467 10 20 JECD O=C(COC(=O)CNC(=O)OCC(F)(F)F)Nc1cccc2c1C(=O)c1ccccc1C2=O 919557867 FFFVSXSTBPDMSO-UHFFFAOYSA-N 464.352 2.232 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(CCCOCC(F)(F)F)CC3)cc2)C1 921123421 TWOMQUZPJPQFMV-LJQANCHMSA-N 485.551 2.185 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777848051 IEABJZSYLUADKC-SWWFSWNPSA-N 454.527 2.121 10 20 JECD Cc1nnc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)o1 1781753940 OUPWYHFVBHVWMD-RUZDIDTESA-N 463.538 2.472 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)CSC1CCCC1)CCO2 1785503570 KRZLDVFUPSTOPF-AVAOGFIGSA-N 462.568 2.322 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1ccc(Cl)c(Cl)c1)CCO2 1785544874 BZFWHHYEJMVPRE-IBGZPJMESA-N 488.418 2.297 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc(F)c(F)c(Cl)c1 1792042008 QRLJPBXGIDQLSW-NKFCBESUSA-N 467.856 2.332 10 20 JECD CC(C)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2)C(C)C 1796173445 XGWXBAUHMBODJF-USKVXJDGSA-N 453.587 2.440 10 20 JECD Cc1ccc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796482539 GTDUPARUOPHMFY-NHKMSHSESA-N 460.534 2.300 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccc(Cl)c1 1798878211 NDYIXXGEFADUCW-DOZWIBKZSA-N 458.898 2.373 10 20 JECD COCCCC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1802975560 TUPFBETYGDUQES-DVECYGJZSA-N 463.538 2.307 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCc2ncc[nH]2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808470248 UTJODCJVXQTAMU-DFBJGRDBSA-N 485.548 2.236 10 20 JECD C[C@@H]1Oc2ccc(C(=O)N3CCC4(CCCN(C(=O)c5cc(O)nc(O)c5)C4)CC3)cc2NC1=O 1810546440 HIJVKCKTSHUFBM-HNNXBMFYSA-N 480.521 2.371 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811803355 IGGNNXJPGRWSCN-AUJRIZCKSA-N 474.945 2.333 10 20 JECD O=C(/C=C/c1cnccn1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813484167 FSVTZNMNZHBRQR-GWESGUAXSA-N 495.543 2.384 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1COc3ccccc3O1)CC2)c1cc(O)nc(O)c1 1816722371 YYTLIMIPBUQZBK-WBMJQRKESA-N 468.491 2.015 10 20 JECD CC(C)(C)NCC(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362056 GBWGTNUMJVYTKV-AWEZNQCLSA-N 468.583 2.236 10 20 JECD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)n1cccc1C=O 1817844586 FMUUJUJOJSDTKG-SUMWQHHRSA-N 452.471 2.397 10 20 JECD Cn1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)c1=O 1824716908 VDUFDJAEEMDSRQ-HSZRJFAPSA-N 489.576 2.412 10 20 JECD COc1nn(C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1825735351 XLGVQNQUTWEXGI-XSBJJCPUSA-N 484.553 2.492 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)CCC1CCC1)CC2 1828242067 FMKSBTZAOWZNIL-GFCCVEGCSA-N 452.627 2.496 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccn3cncc3c2)CC1 1828684913 SRCHGTWDWJGKLG-IBGZPJMESA-N 485.635 2.428 10 20 JECD CSCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1831538556 WGRCJEIMUPOSEK-NRFANRHFSA-N 472.991 2.210 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(O)CC2)CC1 1832005419 WLMPXOAXPJKPRG-ABHNRTSZSA-N 467.657 2.018 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnoc4)C3)C2)cc1 1839348615 ZHXYOWUSWKOLPU-RUZDIDTESA-N 464.522 2.466 10 20 JECD O=C(c1ccc2ncncc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433483 JMXRJXJFHUGEAJ-DEOSSOPVSA-N 498.923 2.078 10 20 JECD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1841340228 WHPMWKFKEGUPKY-MUJYHSJXSA-N 472.538 2.390 10 20 JECD NC(=O)CCN(C(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)c1ccc(F)cc1 16742795 SQRGHSBWSOOABV-UHFFFAOYSA-N 489.459 2.249 10 20 JECD CCS(=O)(=O)N[C@H](CCSC)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 730542424 XIJCQSDOJFHIHH-QGZVFWFLSA-N 465.588 2.434 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CNC(=O)c3c(F)cccc3Cl)CC2)cc1 731077684 CJKFAFWPEBBKJL-UHFFFAOYSA-N 463.893 2.110 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 918442423 GXUZUDPPMWSKQW-UHFFFAOYSA-N 474.561 2.360 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cc(I)ccc3O)nc12 918829444 HWVQGNVLEFXRJO-UHFFFAOYSA-N 483.218 2.279 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H](NC(=O)c3ccco3)c3ccccc3)nc12 918941097 IPYCCOGIKICCLN-LJQANCHMSA-N 464.434 2.419 10 20 JECD Cc1cc(C)cc(N2CC[C@@H](C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)C2=O)c1 920575139 SLTDBDYQLQVHCP-OAQYLSRUSA-N 483.540 2.492 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cn2ccsc2n1 1779096201 RQGMILZBFGADOH-RVGDXEIMSA-N 498.561 2.354 10 20 JECD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1ccccc1 1783243498 JCJPJMHTBOJXPE-JTUHZDRVSA-N 475.636 2.164 10 20 JECD Cc1nn(C)c(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1784702014 JXTYFFGTIDWSSI-YEWWUXTCSA-N 462.934 2.009 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)cn1 1790243152 UOSQUPOHOGDPTQ-YEWWUXTCSA-N 461.902 2.062 10 20 JECD CC[C@@H](NC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1796179446 YWLXUMNLFYJLPN-PVIWCNJMSA-N 487.645 2.341 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccc(-n2cnnc2)cc1 1796931701 DFODJGPXNNXKOM-FJPGZJACSA-N 483.532 2.312 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccc2nn[nH]c2c1 1796934676 DSMJICIZCYUTNI-VBUUOAMHSA-N 457.494 2.003 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NO[C@H](c2ccccc2)C1 1797758766 VHXJCIHLRXLZIN-DFGXFYAUSA-N 472.592 2.003 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccccc1)C2 1802080999 IIZFZDGHYUTEHJ-AVTMWRGQSA-N 452.507 2.039 10 20 JECD CC(C)c1csc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)n1 1802081367 RJOLPOHKYQWSFX-LODQTJKBSA-N 473.551 2.300 10 20 JECD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)no1 1808469336 LROQWXMBXDDNND-UQBPGWFLSA-N 486.532 2.419 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc2n(n1)CCCC2 1809863637 GIQCVXHXLSRPDP-AOMKIAJQSA-N 462.510 2.054 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n[nH]1 1811470391 QEHZNJJNYRDZLT-FDDCHVKYSA-N 471.521 2.226 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)nn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811797272 CNRAEFHHGGQBNN-YJYMSZOUSA-N 469.885 2.275 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)[C@@H]1Cc2ccccc2N1 1812434510 YTFHVAMJIVBBEU-NYDSKATKSA-N 459.506 2.244 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2ON=C(c3ccccc3)O2)[nH]n1)c1cc(O)nc(O)c1 1817846373 ULOHIDKABGQRGJ-MWTRTKDXSA-N 478.465 2.257 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cnc4ccc(F)cn34)sc2C1)c1cc(O)nc(O)c1 1824270276 QFZBABAEMRILGH-GFCCVEGCSA-N 468.470 2.276 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)Cn2cc(Cl)cn2)CC1 1827084043 GKHSKQQPCWERNK-INIZCTEOSA-N 484.047 2.017 10 20 JECD COc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)ccc1F 1827605814 AVRPKYHDHJBKOW-NSHDSACASA-N 494.595 2.377 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCC(F)(F)C1)CC2 1828243730 UFVQZRCWNITXRS-VHSXEESVSA-N 474.580 2.351 10 20 JECD Cc1cnn([C@@H](C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1 1832190125 OFRLRSHJDXFBRF-WMZOPIPTSA-N 477.656 2.233 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1)c1ccc2cc[nH]c2c1 1835296526 YGFSAPQSUCQCFH-UHFFFAOYSA-N 499.662 2.213 10 20 JECD O=C(c1cn2cccc(Br)c2n1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250885 YUDKIBKWLCZBNS-UHFFFAOYSA-N 472.299 2.034 10 20 JECD C[C@@H](C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[S@](=O)c1ccccc1 1845776411 GLWSVDHNFROASC-FFZYEISDSA-N 478.574 2.179 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1847934956 PHVSMBCIMNTICK-AABGKKOBSA-N 496.564 2.444 10 20 JECD CCn1c(CCC(=O)NCc2ccc(N(C)C)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 18215012 GEBLPMHNDBFBAB-UHFFFAOYSA-N 499.637 2.392 10 20 JECD CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 726103123 OWYYJXHQNDTPSZ-RTBURBONSA-N 459.591 2.445 10 20 JECD O=C(CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCN(c2ncccn2)CC1 726607366 NERVDUDWNJNMTP-UHFFFAOYSA-N 453.547 2.204 10 20 JECD COc1ccc(N2CCCN(C(=O)NCCCCN3CCN(c4ncccn4)CC3)CC2)cc1 729232388 FKVHZJMLBPROLC-UHFFFAOYSA-N 467.618 2.309 10 20 JECD CNC(=O)CCN(C)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 729368695 NFICJRUMBHTNQF-LCYFTJDESA-N 456.387 2.245 10 20 JECD CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 729596498 IQUBLNJNTUPERE-UHFFFAOYSA-N 493.624 2.481 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)/C(=C/c3ccc(F)cc3)n3nnnc3C)CC2)cc1 818185846 XYOPCHHLXBBHGE-JCMHNJIXSA-N 480.500 2.019 10 20 JECD Cc1ccc(C(=O)OCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)o1 825224190 PARDKNONYPYFCL-MFOYZWKCSA-N 474.516 2.491 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NC[C@@H]1CCS(=O)(=O)C1 914454079 OSSDKWLNILBGKR-OBTCNRAFSA-N 489.438 2.201 10 20 JECD CCOc1ccccc1-n1nnnc1SCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 917172972 OSVDBPDTFXLPEQ-UHFFFAOYSA-N 472.546 2.445 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(N4CCNC4=O)c3)cc2F)C[C@@H](C)O1 918286327 GZVIYJRAEBVWHF-HZPDHXFCSA-N 469.517 2.224 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cc1 918428938 CZLLUGRBYGQSOX-UHFFFAOYSA-N 475.615 2.104 10 20 JECD COc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc(OC)c1OC 918440923 URLOXFHKKHCXJN-UHFFFAOYSA-N 461.490 2.068 10 20 JECD Cc1cc2nc(C(=O)N3CC[C@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)[nH]c2cc1C 1778929172 YJRXDPKGWRRNEF-JFAKYYBVSA-N 492.532 2.453 10 20 JECD COc1c(Br)cccc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1781577102 WLJMOWFUQKSAJS-OAQYLSRUSA-N 492.326 2.021 10 20 JECD Cn1cc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)ccc2n1 1782246533 XLHAMHLSJRHQBE-HSZRJFAPSA-N 470.913 2.395 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@@H]1C1CC1)C2 1783218425 OPEWPFMOZAXWST-LXZVPGGDSA-N 456.539 2.377 10 20 JECD Cc1c[nH]c(C)c1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1784206741 QUKHJTYDNIEHIK-APTRMMRNSA-N 491.592 2.337 10 20 JECD Cc1ncc(/C=C/C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)s1 1785510189 FWMFHFDGQPHJLT-BTAFLDDYSA-N 471.535 2.125 10 20 JECD COc1cc(F)ccc1CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785511856 WNYMKTZAKRVPCT-CIFMFNLYSA-N 486.496 2.037 10 20 JECD O=C(COc1ccc(F)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1786492006 YYQABFSSRUVAEX-MIGYXXLQSA-N 486.496 2.014 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cc(O)ccc1O 1790265213 HMPWRWDQNMGFRG-LLJZQGTPSA-N 462.886 2.070 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccc2c(F)cccc21 1793059620 IMTDTUNOIDYNSQ-QDMKHBRRSA-N 474.583 2.279 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3cc(Cl)ccc13)C2 1802079825 XCGJQQQTOSODJU-NHEOTCHKSA-N 498.923 2.250 10 20 JECD O=C(COCc1ccccc1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1806874051 OCCYWDIMSWDDSJ-DVECYGJZSA-N 462.506 2.424 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)o1 1807996700 ZZXXANOHMFEZLY-BTYIYWSLSA-N 465.466 2.073 10 20 JECD CC(C)Cc1cc(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)n(C)n1 1810362996 MYEHJNJYSMXRJC-UHFFFAOYSA-N 491.683 2.324 10 20 JECD Cn1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)c1=O 1811796870 MMCYXCIEJKAEEA-YWZLYKJASA-N 482.924 2.478 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CCc2ncc[nH]2)[C@@H]1c1cccnc1 1814164995 APXXCOJEPXCAAS-ROKXVKNSSA-N 477.521 2.274 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c(C)o1 1814185715 FBNZPAYEFOSGOL-UZLBHIALSA-N 472.592 2.471 10 20 JECD O=C(Cc1cccnc1Cl)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816721270 IOLPGVURGIPQBG-GFCCVEGCSA-N 459.915 2.466 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816730009 YELZEDJZWMYGPX-WFASDCNBSA-N 453.524 2.449 10 20 JECD COc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cc1O 1817843655 VHHCQLYPNVEETR-INIZCTEOSA-N 467.482 2.479 10 20 JECD O=C(Cn1cnc2ccccc21)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1825853728 ZCNRMLMVFDWLQF-CYBMUJFWSA-N 464.507 2.225 10 20 JECD O=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)c1ccccc1 1826292065 DDOOMQPLYVADEG-GOSISDBHSA-N 473.620 2.349 10 20 JECD O=C(c1ccc2nc(CO)[nH]c2c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827426997 AEFSFPIOLJZQOV-FQEVSTJZSA-N 479.537 2.409 10 20 JECD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)n1ccnc1 1828195506 OZKWLNFDXQFRTO-BMCHVXJUSA-N 469.523 2.343 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)CSc2nc[nH]n2)CC1 1832153021 OKNYCXIRUMFPOK-QQOXCAACSA-N 487.582 2.347 10 20 JECD C/C(=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)C(=O)O 1832818572 ZJBMTUKCPIDURK-NUTQULCTSA-N 466.538 2.430 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1n[nH]c2c(F)cccc12 1835597157 ZTDUQEZCCJSSCJ-UHFFFAOYSA-N 482.516 2.007 10 20 JECD O=C(CCc1ccco1)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1837182956 BNUDUVWOPUDQBT-UHFFFAOYSA-N 479.624 2.071 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1O 1838030295 KQKYTCHEDQZIDS-UHFFFAOYSA-N 498.536 2.083 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccn4)C3)C2)cc1 1839348311 MNNKJQPAXRAZCA-AREMUKBSSA-N 477.565 2.061 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)C(C)(F)F)C2 1844251571 HZWJUFJTYHZDKZ-HNNXBMFYSA-N 483.512 2.392 10 20 JECD O=C(c1cn2ccc(C(F)(F)F)cc2n1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054350 IWRUVMJTZQPFJQ-UHFFFAOYSA-N 497.524 2.030 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)NCc3ccc(-n4ccnc4)c(F)c3)nnc2n1 109059923 WMZIKBAORNQWFU-UHFFFAOYSA-N 470.538 2.116 10 20 JECD Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 918288214 UQHMSXPPWIGXOG-HOTGVXAUSA-N 477.558 2.406 10 20 JECD Cc1nc(-c2ccccc2NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)no1 918464499 ARMNGVSXKFDGQN-KRWDZBQOSA-N 462.510 2.002 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CCNC(=O)c3ccsc3)cc2F)C[C@@H](C)O1 918899225 AMVVBGBUYREAGI-HZPDHXFCSA-N 477.558 2.480 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(NC(N)=O)cc3)cc2F)C[C@@H](C)O1 918959162 DHIOZRBLYOJBFI-HUUCEWRRSA-N 458.490 2.403 10 20 JECD CCOC(=O)N[C@@H](C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(C)C 919761859 PUUCLANBDGIMEN-HXUWFJFHSA-N 458.538 2.329 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 920196065 JWZQAUSRPPVNTK-UHFFFAOYSA-N 475.549 2.163 10 20 JECD CC(C)CN1C(=O)/C(=C\Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)C(=O)NC1=S 920979644 FPHBMCHBDJLXKQ-JQFNYASXSA-N 464.613 2.302 10 20 JECD CCN1C(=O)C(=CNc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)C(=O)N(CC)C1=S 920980085 WICVMRLZKPZBOD-OAHLLOKOSA-N 464.613 2.399 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1nc3ccccc3[nH]1)CCO2 1782005707 WQHQYWHFXQCYFL-QFIPXVFZSA-N 456.886 2.385 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)c1ccccc1)C2 1783245503 YSWDAURHCBJBLP-ZWDAVXSWSA-N 479.599 2.071 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3cnc4ncccn34)cc2)CCC1 1789046039 ASJWWNQIGFXTFU-UHFFFAOYSA-N 480.575 2.337 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(CO)on4)[C@H]3C2)cc1 1789377729 HKOMRQJZPPIOSJ-APTRMMRNSA-N 478.549 2.482 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccc(F)cc1F 1789645715 GGDYOPGJTIFBBV-OHEPNIRZSA-N 482.487 2.351 10 20 JECD CC(C)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)cc1 1792239674 CXZGCDLTATWQOA-FHWLQOOXSA-N 475.636 2.264 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)Cn2cncn2)cc1 1797900001 ZULBSIIVPCQRLM-RSZNVJGZSA-N 476.581 2.225 10 20 JECD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cc1N(C)C 1799768947 HMGFVYPTQYCKIF-VPTLXERWSA-N 489.956 2.343 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccncc3)[nH]n1)C2)c1cc(O)c(O)c(Cl)c1 1799769485 QHZKTGNHEQUDSK-YVWYUNDQSA-N 483.912 2.053 10 20 JECD C[C@H](NNc1ccccc1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807991708 IQVFZZSTACYLPN-XAEMIUIASA-N 476.537 2.213 10 20 JECD CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)N(CC)CC 1807994776 ZUHFHFFEUIMTJW-SFGWALBWSA-N 455.559 2.328 10 20 JECD Cc1nc2ccccn2c1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807995153 CTTWAAHLPNAVSF-UZUQRXQVSA-N 472.505 2.477 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1n[nH]c2c1CCCC2 1808042893 QECOTEKRQHAGEB-OYHNWAKOSA-N 462.510 2.123 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnn3c2CCC3)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468857 FLBFTFXBRLBZRK-CLOONOSVSA-N 497.559 2.337 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1O 1810653805 RAMFUUJJYGPKSH-LAUBAEHRSA-N 484.603 2.276 10 20 JECD C/C(=C/C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)C(=O)O 1811813698 VMEXXKCNZJPLEU-WFJRWXJDSA-N 459.886 2.497 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2cccnn2)[C@H]1c1cccnc1 1814163499 FARMGSDHIXTYCI-QXMHPGBQSA-N 461.478 2.021 10 20 JECD CC(C)N(C)CC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814165508 GPFLCYACAGPYPW-AUODUWLLSA-N 468.554 2.258 10 20 JECD O=C(Cc1cccs1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1815595848 AOVPAVLFUFAHRR-SNVBAGLBSA-N 466.635 2.220 10 20 JECD COc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1NC(C)=O 1816727505 ZMZOTHNKRJHKFN-AWEZNQCLSA-N 497.533 2.456 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(=O)oc2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146295 BCUZIJIZMNDYET-LJQANCHMSA-N 474.477 2.462 10 20 JECD Cc1nc[nH]c1CSCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1819630315 SBBDEEJWVBZTEO-GFCCVEGCSA-N 474.568 2.140 10 20 JECD COc1nn(C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823477058 YZLBPGGUXQMMHV-DYLHUKMJSA-N 482.497 2.288 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccco2)[nH]n1 1823496005 ADQHYLZTHLESHD-OAHLLOKOSA-N 461.569 2.488 10 20 JECD C[C@H](Cn1cncn1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823710871 NADCGRLLXDKTMB-ZYHUDNBSSA-N 476.946 2.361 10 20 JECD COc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc1F 1828243751 UVHKWMUNLHBYQK-NSHDSACASA-N 494.595 2.377 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccoc3C1)CCO2 1830938219 WCCCJZPSKWJUOB-VOIUYBSRSA-N 490.940 2.219 10 20 JECD O=C(Cc1ccc(F)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835051861 FCHZYPDSQPTJQH-QHCPKHFHSA-N 478.904 2.203 10 20 JECD COc1ccccc1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838030342 OXZZCWLWHMQWRE-UHFFFAOYSA-N 455.511 2.427 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)CC1 1838031573 QXGNBHOTGZQETA-UHFFFAOYSA-N 469.542 2.021 10 20 JECD CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1839647930 IDXZCAKHMUJXCQ-WEPTWERGSA-N 494.592 2.204 10 20 JECD CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H]2C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250947 GYUNHPBMJOLSTN-CWPLJXCYSA-N 486.569 2.203 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(NS(=O)(=O)CC)c(C)c3)nnc2n1 108538887 XRXYMKKWQVJMKR-UHFFFAOYSA-N 493.619 2.184 10 20 JECD COCCn1c(N)c(C(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)c(=O)[nH]c1=O 109624854 UKWVHNAIDONUET-UHFFFAOYSA-N 483.472 2.166 10 20 JECD C[C@H](OC(=O)CNC(=O)Cc1ccc(O)cc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 726820372 AEMNQHGCQQXYCV-HNNXBMFYSA-N 486.480 2.397 10 20 JECD CN(c1ccc(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1)C1CCCCC1 742416656 KBZNASQJVYVBKO-HXUWFJFHSA-N 460.600 2.237 10 20 JECD Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 746989471 JLFAJIGRARCVBF-UHFFFAOYSA-N 464.444 2.204 10 20 JECD COCCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1Cl 747010138 WQDFIFWEVKJTPF-UHFFFAOYSA-N 450.898 2.176 10 20 JECD CC(C)NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 918440580 SMSIWSALDZNNRX-UHFFFAOYSA-N 456.518 2.180 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 919664005 ZNXCSEZVIOENMK-UHFFFAOYSA-N 452.511 2.073 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1)c1ccc(N2CCOCC2)cc1 920924462 BUYXWLLXYPUSKA-QGZVFWFLSA-N 461.522 2.304 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3cc4cccc(F)c4s3)C2)C1 1777796326 PDHHRZYIEWCXAN-OAQYLSRUSA-N 493.607 2.344 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccc3occc13)C2)c1cc(O)nc(O)c1 1777848389 RQGOBDLYJYNZJG-UZUQRXQVSA-N 452.467 2.075 10 20 JECD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1781119508 LRHKQCNVDFXJNZ-NGBFXSCGSA-N 494.972 2.468 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1782003801 MJCLXCSVCVXJLF-FQEVSTJZSA-N 453.829 2.182 10 20 JECD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)n(C(F)F)n1 1782007389 QXNPDFRAJHJDSU-HXUWFJFHSA-N 470.860 2.409 10 20 JECD CCc1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)co1 1783221551 FEQAHIHWAUVVKH-BUTSGQJWSA-N 471.510 2.195 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3F)C2)C1 1785201878 XWEVWZNNYOQESU-HXUWFJFHSA-N 469.391 2.408 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cc(F)cc(F)c1F)CCO2 1785511176 CILVPVRMYWPIJP-KFVKGYIZSA-N 478.423 2.378 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@@H]1CC(c2ccccc2)=NN1 1790544497 BYXXWZSMLCWXGP-SJJRHLGGSA-N 498.967 2.111 10 20 JECD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)ccc(F)c1F 1802082453 MERABNDYCPRQMY-GCZWLPJRSA-N 474.460 2.307 10 20 JECD Cc1ccc2c(/C=C/C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)nc(O)c3)C4)c[nH]c2c1 1802185518 RUJRONWEIQOSLM-MGNLIJHLSA-N 462.506 2.199 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1ncn(-c2cccc(F)c2)n1 1804283757 OGXRBOJXWYYWGE-ZLKFZVBQSA-N 493.495 2.488 10 20 JECD Cc1ncccc1CCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1804309371 NYDOYGKTRCJUDY-CVDCTZTESA-N 497.646 2.284 10 20 JECD Cc1nocc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1805820936 CBEIIXARYQRAPR-FDDCHVKYSA-N 472.505 2.491 10 20 JECD O=C(Cc1ccc(F)cc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1806576454 ZFEJBVMDXZWSGW-JTSKRJEESA-N 486.594 2.330 10 20 JECD CCc1cc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n(C)n1 1810923670 UJHHFFDECARGEL-KBMIEXCESA-N 499.575 2.490 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1ccc(O)nc1 1811462741 HMORALIAJGCFHT-HOYKHHGWSA-N 484.516 2.295 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811810632 WAKMOLYFNNXNGE-ZOCIIQOWSA-N 493.969 2.043 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1cnn2c1CCC2 1812141735 QMQKVAHERXYQFW-KBMIEXCESA-N 497.559 2.337 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccc(CO)o2)[C@@H]1c1cccnc1 1814163857 OCTYPTRSERNNPZ-JPSNIWGYSA-N 479.489 2.317 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722748 WJYRFSGOSMTUKW-YPMHNXCESA-N 454.512 2.071 10 20 JECD C=C(Oc1ccccc1O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816725842 QBUWLJXRGKVFGV-ZDUSSCGKSA-N 468.491 2.473 10 20 JECD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)n1ccnc1 1817363497 HBKPLBAHUAAIQM-LSDHHAIUSA-N 477.550 2.306 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CNC(=O)c2cccs2)[nH]n1)c1cc(O)nc(O)c1 1817843949 JWMGVXXKMUMNRE-AWEZNQCLSA-N 470.511 2.013 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(-c4ccccn4)[nH]n3)sc2C1)c1cc(O)nc(O)c1 1820641917 PXAYERRLWZFPLD-GFCCVEGCSA-N 477.506 2.274 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c[nH]nc23)[nH]n1 1823499040 ZMBWYRFTALFDFD-OAHLLOKOSA-N 483.579 2.452 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)Cc2ccccc2)CC1 1831544382 VPDQBXZOQWXZFQ-NHCUHLMSSA-N 453.539 2.330 10 20 JECD O=C(c1ccc(O)nn1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876232 GNCYQBJQJGPDMB-QKYXPGDISA-N 468.510 2.246 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cnccc1Cl 1835859805 NVCPISMMBDCKQN-UHFFFAOYSA-N 459.934 2.040 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)no1 1837521601 AYIKTQMJSSBKIZ-HWKANZROSA-N 471.510 2.425 10 20 JECD O=C(c1ccc2n[nH]cc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434307 XVABFDVZVMGOQZ-HSZRJFAPSA-N 486.912 2.011 10 20 JECD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CC1 13190683 FJSLTCMRTPYRLD-QPJJXVBHSA-N 476.467 2.420 10 20 JECD CON(C)S(=O)(=O)c1cc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1Cl 19197101 UEOGPBNSAQBARF-UHFFFAOYSA-N 483.974 2.403 10 20 JECD CC(C)(C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)n1cc([N+](=O)[O-])cn1 726664698 XIBYWFHJFQQZBD-UHFFFAOYSA-N 462.418 2.484 10 20 JECD COC(=O)CNC(=O)Cc1ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 726696575 RWFGMGMJVBVVOR-UHFFFAOYSA-N 454.527 2.317 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(Cl)c(NC(C)=O)c3)CC2)cc1 743432844 UFFYUUPDFBWKCY-UHFFFAOYSA-N 473.961 2.184 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1 747011198 NBDGNTPCSILTHJ-UHFFFAOYSA-N 480.562 2.186 10 20 JECD O=C(CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)N1CCN(c2ccccn2)CC1 748465120 KFXCJUYWVGHWNE-OAQYLSRUSA-N 467.570 2.217 10 20 JECD Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)sc2n1 753520571 MHMMARZNQGMNOR-LBPRGKRZSA-N 474.564 2.277 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 914792157 CWACGYCNJKMLKL-UHFFFAOYSA-N 496.383 2.437 10 20 JECD COc1ccc(-c2nc(CS(=O)(=O)CC(=O)N3CCN(c4ccc(OC)cc4)CC3)no2)cc1 915363138 NZYAFOUIEILBST-UHFFFAOYSA-N 486.550 2.017 10 20 JECD CCOc1ccccc1C(=O)N1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 918118128 WBLSFKAZJLYXEN-NRFANRHFSA-N 493.608 2.455 10 20 JECD CCN(C1CC1)S(=O)(=O)c1c(C)nn(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1C 920402444 YBNVNJQSVYGIOQ-UHFFFAOYSA-N 475.615 2.030 10 20 JECD NC(=O)[C@@H]1CC(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)=NN1c1ccccc1 934250253 GYPKILUKRNCBAS-QFIPXVFZSA-N 496.479 2.064 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1csc(-c3cccnc3)n1)C2)c1cc(O)nc(O)c1 1777848535 XXPXPSOHCBIBNJ-HOYKHHGWSA-N 495.561 2.453 10 20 JECD CCC[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)n1cccc1 1778046029 FCVXDJMFVKIAPN-PMAPCBKXSA-N 492.667 2.204 10 20 JECD C[C@H](Nc1ccccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1779568209 YZFPCZQPMSRVGC-ATCQTIRPSA-N 496.564 2.226 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCC(=O)N4C)C3)C2)cc1 1781371962 OZKJUWKJEQYWBJ-BKMJKUGQSA-N 464.566 2.158 10 20 JECD C[C@]1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)CC1(F)F 1783150508 AWXQCIMFHXIBMK-BPNVYIILSA-N 466.481 2.376 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cc(F)c3F)C2)C1 1785087310 NSHFZJWGKZEAMF-XMMPIXPASA-N 486.450 2.340 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccnc(C(F)F)c1)CCO2 1785509250 WWXYMZSQKODAPJ-KFVKGYIZSA-N 475.448 2.293 10 20 JECD O=C(Cc1ccc(F)c(F)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1786584796 VAWOOBKNQCPKLC-QOGCKDPTSA-N 488.487 2.317 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@H]1Cc2ccccc2O1 1788188099 YIMGBVIFOOYKOR-XCODNNPBSA-N 472.925 2.348 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)[C@H]1CCc2cccc(Cl)c21 1790691039 IPIDFXUBCRVEKV-XPYUAMARSA-N 471.941 2.470 10 20 JECD O=C(CCc1cccc(O)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1791399489 XPUHBDBJLAMXQC-APTRMMRNSA-N 490.560 2.097 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc(F)cc(F)c3)C[C@@H]21 1792219021 GYEDJWITNVFLBA-JKJQVWLGSA-N 488.487 2.317 10 20 JECD COC(=O)c1ccc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)cn1 1792315226 ROYYUHSKBMXBTI-UHFFFAOYSA-N 498.586 2.476 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1Cl)C2)C1=NN(c2ccccc2)C(=O)C1 1796480748 SBQPFKOSHOLTLA-XHNJZIHCSA-N 498.942 2.404 10 20 JECD COc1ccc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)[nH]c2c1 1796918778 SMUVYXYCVFDBEM-MXBFMXEXSA-N 493.516 2.210 10 20 JECD C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1801174922 ZJGBIWILEASIHZ-WRUHDHAJSA-N 466.534 2.285 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCCC=C1F 1802215379 TYAZFGBTNZLWQD-HALGKJSMSA-N 464.465 2.152 10 20 JECD Cc1noc(C)c1CC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804244287 KALXHQAXZHHYNT-ZHRRBRCNSA-N 451.483 2.055 10 20 JECD O=C(Cc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804331774 JZFYJFIPCJDUHF-MUJYYYPQSA-N 452.001 2.381 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)Cc3cncnc3)C2)CC1 1807187589 MTMRTYXDYLPKOT-HWKANZROSA-N 452.511 2.081 10 20 JECD Cn1ncc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1C(F)(F)F 1807991327 OWZXIBAIORVAMO-SCLBCKFNSA-N 490.442 2.274 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)CC1 1808002644 XDCSNQJBZRGNBQ-OXQOHEQNSA-N 497.552 2.265 10 20 JECD Cc1nc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)c(=O)[nH]c1C 1811797093 AYYVCLZMMJMVMK-QRWLVFNGSA-N 497.939 2.480 10 20 JECD C[C@](O)(C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)C(F)(F)F 1814162682 VECBVQLVNRSHLD-KYCOLUHFSA-N 495.454 2.231 10 20 JECD Cc1nc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cs1 1814185905 ICTFBPFISVZDJM-KSSFIOAISA-N 475.621 2.026 10 20 JECD Cc1ccc(C(=O)C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1814190087 QEBYFPCUCCRQMI-GHTZIAJQSA-N 496.614 2.139 10 20 JECD CN(C)c1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)o1 1817362949 CRWHSOSENPSWAB-CYBMUJFWSA-N 493.549 2.216 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccnc2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146383 FQEBTVSNCNEJTI-IBGZPJMESA-N 460.498 2.091 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc[nH]n2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818148000 UKBORTKFGRVCOE-IBGZPJMESA-N 460.498 2.161 10 20 JECD CCCC(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1819561243 LNYBYFFGJGYTRN-OXQOHEQNSA-N 493.568 2.500 10 20 JECD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1)n1ccnn1 1823475919 JZZCOFUURFEMJI-PSYXSKQDSA-N 467.486 2.085 10 20 JECD O=C1CCCN1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1826727180 IKGNLQNAIHHAJJ-JOCHJYFZSA-N 479.581 2.021 10 20 JECD O=C1Nc2c(cccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)C1=O 1827428566 WLTAAQQIDIUGPZ-SFHVURJKSA-N 478.505 2.175 10 20 JECD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)n1cncn1 1832212853 XBDGDMPWCPOVQO-NRUXISPGSA-N 469.542 2.289 10 20 JECD O=C([C@@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900220 LXANMWUQCCKORR-SJORKVTESA-N 453.630 2.036 10 20 JECD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)cn1C 1835132689 DMTIPEXPALHUBR-UHFFFAOYSA-N 490.608 2.312 10 20 JECD CC(C)n1ccc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)n1 1836184921 BZHIDOKRSXWHNW-GQCTYLIASA-N 497.596 2.479 10 20 JECD CC[C@@H](C)[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1837851550 FNCPPDQXGDOIRM-QYUAPJNHSA-N 475.586 2.189 10 20 JECD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1838984650 LDVHCXPSVXBADJ-HSZRJFAPSA-N 460.914 2.443 10 20 JECD O=C(CCc1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432727 YKJXTQXUTMKRIF-QFIPXVFZSA-N 464.902 2.047 10 20 JECD C[C@H](C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)N1CSCSC1 1844320143 MYVJOJRRPNHJEU-YVARQFDVSA-N 465.597 2.063 10 20 JECD CC(=O)Nc1ccccc1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1846839246 JKFYWLRRXWCFNF-CSKARUKUSA-N 451.479 2.292 10 20 JECD Cc1nn(CCC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(C)c1[N+](=O)[O-] 726504551 YJESKKFFSLCGAS-UHFFFAOYSA-N 482.520 2.370 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccccc3CN3CCOCC3)CC2)cc1 726728358 RGVWXRPBACUATK-UHFFFAOYSA-N 452.555 2.251 10 20 JECD O=C(COC(=O)c1cn(-c2ccccc2Cl)nn1)NCc1ccc(N2CCOCC2)c(F)c1 746903574 WLTXUSVTPMPBMV-UHFFFAOYSA-N 473.892 2.370 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 849207887 WKHLNYFGUUFFCI-KRWDZBQOSA-N 499.545 2.109 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 915744383 BXHOLVPQKIDPTO-UHFFFAOYSA-N 455.515 2.179 10 20 JECD CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1F 917834170 XPTVCTVARIXQKP-LJQANCHMSA-N 490.601 2.488 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cc2F)C[C@H](C)O1 918288433 VFHCREYBWPVBKK-IRXDYDNUSA-N 486.544 2.161 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 920252010 WXVYAUHYDPCYQR-KHPPLWFESA-N 452.530 2.388 10 20 JECD CCc1noc(C)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127880 OKPRDULUDAUDSK-QFQXNSOFSA-N 493.564 2.466 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(O)nc2ccccc12 1778549758 KCFVNKNUSDCHHE-KBMIEXCESA-N 478.505 2.188 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccccc3[nH]1)CCO2 1782005706 WQHQYWHFXQCYFL-JOCHJYFZSA-N 456.886 2.385 10 20 JECD Cn1ccc2cccc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)c21 1785505793 PRDSZRQWFJISKJ-WHVGEVHXSA-N 477.517 2.452 10 20 JECD Cc1ccccc1NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1786945639 MSDWEARHBVGBOR-AOPCHSIOSA-N 481.549 2.217 10 20 JECD Cc1nc(-c2ccccn2)sc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787292427 YOMXBJNTKCYEEQ-ZVZYQTTQSA-N 495.561 2.227 10 20 JECD CN(C)[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1)c1ccccc1Cl 1787294222 LONZWVFSKJNPHZ-DHKPLTOSSA-N 488.972 2.042 10 20 JECD O=C1C[C@H](C(=O)Nc2ccc(C3(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CCC3)cc2)CN1 1791277474 NOZPJXGMZXJMEI-INIZCTEOSA-N 459.506 2.050 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4cccc(F)c34)C[C@@H]21 1792218291 VLDQXSXVEQIIRJ-KGDAJWNSSA-N 496.495 2.126 10 20 JECD O=C(COCc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1795425008 LZFRCEZFNFKQJG-UPHUGPLXSA-N 460.914 2.171 10 20 JECD CCc1c(Br)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)nn1C 1796600449 JPMAHOWNMIVTDT-CLLJXQQHSA-N 478.347 2.117 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccc(OC(F)F)cc1 1804335751 JDXXXPAJFKSGGQ-BTTYYORXSA-N 469.535 2.400 10 20 JECD Cc1ccc(CCC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cn1 1804483130 WCUFGSOLZQXNRB-AUSIDOKSSA-N 497.646 2.284 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1ccc[n+]([O-])c1 1804784739 OPQHTYNHTMUKQY-FOIQADDNSA-N 468.897 2.413 10 20 JECD Cc1cnc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1805243457 RHMYREHTTANIAD-YOEHRIQHSA-N 475.621 2.026 10 20 JECD C[C@@](O)(C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)C1)C(F)(F)F 1806484290 CZVWDQWIYYYRPI-PEAOBZDDSA-N 472.460 2.361 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)C3CCOCC3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1814182527 WDARDOUWTHQNSV-HNNXBMFYSA-N 467.551 2.275 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2noc3c2CCCC3)[C@@H]1c1cccnc1 1814188821 AZZUZWSTWYMNMA-QVKFZJNVSA-N 499.618 2.128 10 20 JECD COc1cccc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1 1816722614 RFSFBCDQPMTHNZ-AWEZNQCLSA-N 454.508 2.426 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cn4cc(F)ccc4n3)sc2C1)c1cc(O)nc(O)c1 1819104511 DYFKWYZVDXRMAB-LBPRGKRZSA-N 468.470 2.276 10 20 JECD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1822444850 LLRWRRNYWSBBKI-ABAIWWIYSA-N 499.524 2.133 10 20 JECD Cn1cccc1C(=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1826995097 ZEIFGMDXINLOQK-AWEZNQCLSA-N 490.545 2.069 10 20 JECD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)n1ccccc1=O 1827428597 YISIUWLMRAJKRK-QFBILLFUSA-N 454.527 2.149 10 20 JECD Cn1ccc(=O)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716434 LMBZNYLQQHVQKY-QHCPKHFHSA-N 489.576 2.412 10 20 JECD CCOC(=O)/C=C/C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828198809 KHLPXBQQCRBEIN-HFTNPTAHSA-N 473.507 2.005 10 20 JECD Cc1noc(C)c1CCC(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240234 SEQZKBLNZCPHTQ-LBPRGKRZSA-N 493.636 2.153 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccn3cn2)CC1 1828326293 MILSGCFBMPUFMV-IBGZPJMESA-N 485.635 2.428 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccncc1C(F)(F)F 1835199477 YUXOMZPZPKNBML-UHFFFAOYSA-N 493.486 2.406 10 20 JECD Cc1[nH]ccc1C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1835218577 BEIGABNHCRQDJD-HWKANZROSA-N 468.554 2.339 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1836611755 KSDGFTUXBKYVOK-HNNXBMFYSA-N 492.573 2.018 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)c(C)o1 1837447524 UAJWPMFAKOWJQY-UHFFFAOYSA-N 479.624 2.369 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)ccc1O 1838030259 IXVXSNKSTRQOCZ-UHFFFAOYSA-N 455.511 2.433 10 20 JECD COc1cncc(CCC(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1842026131 IMACTVSGFLVSQF-UHFFFAOYSA-N 461.522 2.019 10 20 JECD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1845398921 RZEVUJXKHXPFTA-HSZRJFAPSA-N 481.549 2.406 10 20 JECD COc1ccc(CC(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1F 1846685001 QPSGHBIACDOFTK-VMPITWQZSA-N 456.470 2.410 10 20 JECD CCOc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OCC 798160173 NZNMGZKXJWBXPM-UHFFFAOYSA-N 491.610 2.258 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 918219287 HYIFIUAXNFHLNZ-UHFFFAOYSA-N 494.564 2.142 10 20 JECD C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919971027 GBRHPHMPPMHLQR-AREMUKBSSA-N 480.540 2.402 10 20 JECD C[C@H](Nc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 920870519 LTZFQVSOUUAFST-KRWDZBQOSA-N 477.587 2.444 10 20 JECD CC(C)CN1C(=O)/C(=C/Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C(=O)NC1=S 920978612 MVAZGSKEZHZXPJ-LDADJPATSA-N 464.613 2.302 10 20 JECD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N/C=C2/C(=O)NC(=S)N(CC(C)C)C2=O)cc1 920980299 IAMBIVNIWBPBNE-PWDRBQJJSA-N 466.629 2.151 10 20 JECD O=C(CS[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1779088191 LCWSPDZGQBTJBV-NQIIRXRSSA-N 470.975 2.455 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)COCCO)C3)cc1 1780987893 MOPTXQHMHDMFRU-ZEQKJWHPSA-N 469.582 2.231 10 20 JECD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1)c1ccc(O)cc1 1781261569 YNBMPCRSGMOQQL-QYBDOPJKSA-N 476.533 2.119 10 20 JECD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)[S@@](=O)c1ccccc1 1782684348 DCQWKZWALZJQSV-RKYFPIAGSA-N 492.981 2.391 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cscn1)C2 1783219799 CRAMEYBRLZIRRT-SUROQQEJSA-N 459.524 2.101 10 20 JECD C[C@H]1CC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)CC1 1784707602 OJFCNNGWPVRFSC-MHPIHPPYSA-N 452.555 2.436 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)CC1 1785712164 LBLNTXCWTCWLQS-QFIPXVFZSA-N 495.960 2.252 10 20 JECD O=C(CNC(=O)c1ccco1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1788255312 QOESWBGQKOSSNQ-UHFFFAOYSA-N 486.575 2.004 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccc2cccnc2n1 1788283868 KWBLYNACLHREKS-LEDOBFOHSA-N 498.543 2.016 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccc(Cl)nn1 1788837858 LNOQNTKLHADDTM-PKWAYOAASA-N 467.309 2.102 10 20 JECD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1)n1cnnn1 1791915385 FEBCEGHDBNZMRY-INIZCTEOSA-N 472.509 2.161 10 20 JECD COc1cc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)nn1C 1792314912 HUZXLOOHKDTBLL-UHFFFAOYSA-N 473.580 2.037 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1)c1cc(O)c(O)c(Cl)c1 1794386813 JRPXAOQUSKKWOS-DEQVHRJGSA-N 488.928 2.009 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)[C@@H](O)c1cccc(Br)c1 1796604943 XIULFCPOFCWJHS-RCJHGTSTSA-N 476.327 2.241 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccc2cccnc12 1796814563 MLIYIUAFYUTDDA-JWMIDBARSA-N 475.501 2.268 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc2[nH]ccc2n1 1797398131 VZGOQPJTOVFMTN-DBWKPXFBSA-N 456.886 2.145 10 20 JECD Cn1c(=O)n(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)c2ccccc21 1800718047 JTAPUGOSNSCSHR-MUJYYYPQSA-N 484.940 2.357 10 20 JECD C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800718985 OPGJVVYBJACEDU-HNKHHVNMSA-N 472.929 2.217 10 20 JECD COc1ccccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802078896 MHQQYXWKOGIAHZ-XEDZUWJUSA-N 482.533 2.048 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cc(Cl)ccc3n1)C2 1802079616 NACTUKLJYFLNKH-MSBPNGLFSA-N 498.923 2.021 10 20 JECD COCCCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1802983374 WLQIGQDIDQQZPG-KBUQRTECSA-N 455.511 2.344 10 20 JECD COc1cc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ccn1 1804275215 CZDUBSALSOUBAS-UUOWRZLLSA-N 477.521 2.244 10 20 JECD Cc1cc(C)n2ncc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c2n1 1807996486 TVRBLCLGXYADDY-HTAPYJJXSA-N 487.520 2.181 10 20 JECD Cn1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c(C(F)(F)F)n1 1810816753 GZAWQILZRFQMEF-FZKQIMNGSA-N 490.442 2.274 10 20 JECD Cc1ccc(C(=O)C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1812964076 VCYQWSRHYDFIOR-PGRDOPGGSA-N 460.490 2.399 10 20 JECD O=C(CCc1cnccn1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813447428 FMBUBSNIBVIHHM-HBXZTRSJSA-N 489.532 2.340 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccnnc2O)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147053 NFFCKBODKQYKSA-GOSISDBHSA-N 474.481 2.004 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cn[nH]c3cn2)CC1 1828756495 RFQMLAOJWPDQME-SFHVURJKSA-N 486.623 2.052 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2csnn2)CCO3)cc1 1831755332 UCTJEUVEFJHZOE-DEOSSOPVSA-N 481.578 2.329 10 20 JECD O=C(CC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898154 BXWGVLHABNASDP-ZDUSSCGKSA-N 451.536 2.419 10 20 JECD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1841763164 IQWIGRSBCPRRHP-CSKARUKUSA-N 475.542 2.323 10 20 JECD O=C(Cc1ccccc1I)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843248820 QPWPEUQLZKWTIZ-UHFFFAOYSA-N 493.301 2.157 10 20 JECD COc1ccc(F)cc1CC(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1846448517 ZWSIEZKLWDLNSS-XBXARRHUSA-N 456.470 2.410 10 20 JECD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cc(CNC(C)=O)ccc3OC)n2)c[nH]1 727247974 YALPGRZCKDBNEU-UHFFFAOYSA-N 464.525 2.370 10 20 JECD CC(C)(C)NC(=O)CCNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 728082541 YYASLUTWUDGFOY-UHFFFAOYSA-N 464.500 2.136 10 20 JECD COc1ccc(O)c([C@@H](C)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])c1 728908567 MVETWVDMLNUGDW-CQSZACIVSA-N 450.517 2.418 10 20 JECD O=C(CN1CCC(n2cccn2)CC1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 731354511 INVXIEQRIWXLQY-MOSHPQCFSA-N 499.618 2.266 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(=O)Nc1ccc(-n2cccn2)nc1 918276710 HFQKYMAXDFYXQZ-UHFFFAOYSA-N 474.443 2.378 10 20 JECD CCNc1ccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] 918854213 AEVGXDSRUMAWQC-UHFFFAOYSA-N 460.462 2.476 10 20 JECD COC(=O)c1cn(CC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc12 919005766 FTOYPLWKFWGZFH-UHFFFAOYSA-N 483.496 2.263 10 20 JECD Cc1cc(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1-n1cnnn1 919081635 RUJADWBXLLJZAK-IRXDYDNUSA-N 482.516 2.197 10 20 JECD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 919767787 XDPKQLQGYVLWBW-UHFFFAOYSA-N 467.975 2.031 10 20 JECD CS(=O)(=O)CCCNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 919887172 DNZIYXXLMYDMFG-UKTHLTGXSA-N 477.427 2.201 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3ccccc3o1)C2)c1cc(O)nc(O)c1 1777852732 QYXPNMJAVGINKF-UZUQRXQVSA-N 452.467 2.075 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@@H]1[C@H]2C=CS[C@@H]21 1781529966 CUUACXLQZHURFR-QBJNZZKDSA-N 480.590 2.168 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cc[nH]c3nccc1-3)CCO2 1782000776 BEAVZVREXCVVDT-QFIPXVFZSA-N 456.886 2.336 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccnc4ncccc34)C2)C1 1782343230 DCXMRRNUWVAEBD-QHCPKHFHSA-N 468.897 2.452 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cc(C(F)F)no1 1787143294 QPEVQLNYKOMUMF-WYJPARRNSA-N 479.436 2.036 10 20 JECD Cc1cnc(Cl)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1 1792218700 MJKSAJJYKFLAPK-CASRODDKSA-N 487.940 2.467 10 20 JECD CS(=O)(=O)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1792771159 YMDGXRFZCCUKQF-FNLKRUPLSA-N 494.573 2.135 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ncc(F)cc1F 1796931117 NESQFJSWDCTSLR-ACHSLPGTSA-N 453.449 2.405 10 20 JECD CC(=O)Nc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1797232628 NDTCSEKCGATZSY-FAQVEIGNSA-N 487.940 2.156 10 20 JECD C[Si](C)(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)co1 1799769469 OZYQNFDPJXGPFK-CCWDJLKJSA-N 479.005 2.406 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1ccc(-n2cnnc2)cc1 1804285153 HBSKAOPVVHCYRV-UTIDIXMJSA-N 475.505 2.349 10 20 JECD Cc1nc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)ccc1F 1804944268 IZCFCEKXOGUJJP-MGPUTAFESA-N 487.582 2.104 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)o1 1807996701 ZZXXANOHMFEZLY-QVKFZJNVSA-N 465.466 2.073 10 20 JECD Cc1nc[nH]c1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808677194 HGJHTMQVTCYBHC-FDDCHVKYSA-N 471.521 2.226 10 20 JECD CCN(C)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1812311040 OTJCRJYHLHGCDE-LJFZDNNRSA-N 476.581 2.221 10 20 JECD C[C@H](Cc1ccccn1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1813284793 OBCXOXXBVAEBEY-QSAZIKIQSA-N 461.522 2.481 10 20 JECD Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)nc1 1814184728 DSTGKSJPYVJFTL-WZONZLPQSA-N 497.646 2.284 10 20 JECD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720397 QGZNJMJTGPTRGU-XGQHYKRYSA-N 471.451 2.390 10 20 JECD N[C@@H](Cc1cscn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1816990543 NLJZZKLFGGYHDY-GWCFXTLKSA-N 493.998 2.460 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(O)nc1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817361804 HEGQZNBTUSKJMG-AWEZNQCLSA-N 476.518 2.262 10 20 JECD O=C(CCN1CCOC1=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1818850427 STZFKSCALKSGTD-BIENSFFJSA-N 485.497 2.074 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2coc(Cl)n2)CC1 1825540387 KXJJAPRRPFYLTM-CQSZACIVSA-N 471.004 2.422 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714704 HKKWFVCEOHIBOT-XMSQKQJNSA-N 481.597 2.314 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@H]3C[C@@]3(F)Cl)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835133967 QFQCHYGXTVAUQG-DVECYGJZSA-N 489.979 2.275 10 20 JECD COCC1(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)CC1 1836855345 DNXPWONFCUWOAY-UHFFFAOYSA-N 482.581 2.205 10 20 JECD CC(C)[C@H](CC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)NC(=O)OC(C)(C)C 1843250915 CDADXWHBZKWDIM-INIZCTEOSA-N 462.547 2.249 10 20 JECD CCOC(=O)c1sc(N/C=C2/C(=O)NC(=S)N(CCOC)C2=O)nc1-c1ccccc1 747840185 JWEFGUALKZWWHK-QBFSEMIESA-N 460.537 2.172 10 20 JECD O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 807755282 LSIAOOFPLNEYQD-IAGOWNOFSA-N 474.469 2.119 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1 918855503 FALGQGCNYKLFMB-ZIAGYGMSSA-N 460.462 2.403 10 20 JECD CC(C)(C)n1cc(C(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cn1 919761470 CULNJAZXGBHRDY-UHFFFAOYSA-N 465.533 2.393 10 20 JECD CCc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)n[nH]1 1777730915 KXOQSMHUBLPFFD-XMSQKQJNSA-N 462.934 2.478 10 20 JECD COc1ccc(OC)c(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1 1777847655 KPWYHEDQZNXCOK-QFQXNSOFSA-N 499.564 2.270 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777851252 WYZTZFUIWNOJMD-SWWFSWNPSA-N 455.511 2.088 10 20 JECD Cn1cccc1C(=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781123079 RWNUWMAAXUQKKO-WZONZLPQSA-N 475.929 2.100 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@H]1[C@H]2SC=C[C@H]21 1781529960 CUUACXLQZHURFR-DTFMIDNASA-N 480.590 2.168 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753930 UDHCWAWFVSNLIR-FNZWTVRRSA-N 466.582 2.404 10 20 JECD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007780 MGUMHUVWFCAOEM-NRFANRHFSA-N 477.857 2.122 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3cc4ccoc4cn3)C2)C1 1782186512 AUBPEGBMXQLXTN-VWLOTQADSA-N 473.489 2.064 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncccc1F)C2 1783221894 RBZVGFIMODXAED-BUTSGQJWSA-N 471.485 2.178 10 20 JECD CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1)c1ccccc1 1792238520 KRGGOEOYAXCFMG-RDGPPVDQSA-N 475.636 2.020 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)[C@H]1[C@@H]2CCC[C@H]1c1ccccc1N2 1795500118 OWMSHCNEEDPTNO-GZXGFVQQSA-N 478.549 2.074 10 20 JECD Cc1ccc(OCCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc1 1796479314 MHVNXRLGIJUJKZ-ZJZZYZHZSA-N 490.560 2.146 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cnccc3[nH]1)C2)c1cc(O)c(O)c(Cl)c1 1799769386 IQWCMIILHFZCAC-HBCWATKFSA-N 456.886 2.145 10 20 JECD Cc1nc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cs1 1804516613 HAGZPEHQVHRXCT-QVKFZJNVSA-N 453.524 2.215 10 20 JECD Cc1cnoc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808469160 IMWPFFLWUGFAHG-GCJKJVERSA-N 472.505 2.491 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccc(CO)o1 1810835209 WTOKQXVKQUOBLF-YXPIPHOMSA-N 479.489 2.317 10 20 JECD Cc1nn(C)cc1C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162457 SFNRRVPBBJACCS-AEVOMHCASA-N 477.521 2.273 10 20 JECD Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814185508 CFNJGWNIEJCTAK-WZONZLPQSA-N 498.630 2.335 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccncc3Cl)sc2C1 1820422951 ZCWXQCRRUQWDRK-VIFPVBQESA-N 482.012 2.278 10 20 JECD Cc1nnc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)c(O)c(Cl)c4)sc3C2)o1 1823708793 OWGPYRZILCJIFA-JTQLQIEISA-N 463.903 2.368 10 20 JECD CCN(C)[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1824446675 FKKDSHWRAYKMGZ-HUUCEWRRSA-N 468.583 2.188 10 20 JECD Cc1oncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1826033153 BMLCXCIAFPQPTD-MRXNPFEDSA-N 450.586 2.077 10 20 JECD CC(=O)Nc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)ccn1 1827427349 LEVLKMTZHHGYBS-IBGZPJMESA-N 467.526 2.393 10 20 JECD Cc1ccncc1CCC(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828239687 BYNAMXFAVATCPA-CQSZACIVSA-N 489.648 2.252 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1829091173 SZPOIAUAROZGRD-PGRDOPGGSA-N 479.581 2.090 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCc4ccccc4O3)CC2)CC1)c1cc(O)nc(O)c1 1834988178 IIDUAXBKKPRTOJ-JOCHJYFZSA-N 480.565 2.072 10 20 JECD COC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837662471 FMEZOWNAGXGCDO-UHFFFAOYSA-N 468.934 2.317 10 20 JECD O=C(Cc1cc[nH]n1)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838687848 HUUKPQYAHASKMF-UHFFFAOYSA-N 462.934 2.329 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ccsc3[nH]1)CCO2 1839522636 QIENBUAYOFZQQQ-UQPVFDRXSA-N 499.545 2.130 10 20 JECD O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250813 QREWOFPXISWEOJ-UHFFFAOYSA-N 499.321 2.228 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)CCC2 725995658 FKLRZXJXXUDQPQ-RPWUZVMVSA-N 479.577 2.019 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc21 728637008 GLZMDVISOWJJRQ-UHFFFAOYSA-N 459.524 2.347 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(CCN4[C@@H](C)CC[C@H]4C)CC3)CC2)cc1 729586284 GSHLVRCDTGAHQT-PSWAGMNNSA-N 486.705 2.407 10 20 JECD COCCN1C(=O)/C(=C\NNc2ncnc3scc(-c4ccccc4)c23)C(=O)NC1=S 814318476 NNKXRBQMDHZAAW-LCYFTJDESA-N 454.537 2.048 10 20 JECD CCN(CC)c1ccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC3CCCC3)c2=O)cc1 914582048 NYWOQWZVRQVIJE-UHFFFAOYSA-N 467.635 2.403 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 918009195 ICGOPQKENHJGKL-OAQYLSRUSA-N 499.637 2.172 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cc2c(cc1Br)OCCO2 918284323 AKQNXJGJUDMMKX-UHFFFAOYSA-N 494.317 2.451 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 918284693 OMZUQOQPDBCIOZ-OAQYLSRUSA-N 470.501 2.035 10 20 JECD COC(=O)[C@H]1CN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c2ccccc2O1 918294727 KBPIQHXBFQDYHI-OAQYLSRUSA-N 450.447 2.481 10 20 JECD O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 918296697 YWYZFIFDMKPECZ-FQEVSTJZSA-N 465.506 2.188 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(=O)n(-c2ccccc2)n1 919762155 WQUMGZCYUGJNAS-UHFFFAOYSA-N 485.523 2.418 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NC[C@@H](O)COc3ccc4c(c3)OCO4)cc2F)C[C@@H](C)O1 920237218 GLJKKIHAHVZZRH-SOLBZPMBSA-N 475.517 2.407 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccn(-c2ccccc2)n1 1780185038 QCMHCEAGSDWMKY-CJFMBICVSA-N 477.521 2.120 10 20 JECD CN1CCC(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)CC1 1790242514 UJUVZAQZFMCMOP-KNBMTAEXSA-N 465.978 2.076 10 20 JECD C[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1790726593 KJWGJMRWXLKUPG-QHERXFFYSA-N 457.502 2.104 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccc(O)cc2)CC1 1793028266 XEXKTCKEARFJEY-YVWYUNDQSA-N 472.925 2.392 10 20 JECD Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(C(F)F)n1 1797185489 MQTAHVQEIPQANS-RBVVOMGSSA-N 470.480 2.402 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c(Cl)cccc12 1800894926 QKSWSQVSSILNOG-ZSBIGDGJSA-N 477.999 2.328 10 20 JECD O=C1CCc2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)/C=C/c3ccc(O)c(O)c3O)nc2N1 1804285946 MEHTZPUWNZTXBV-FUEIOIHSSA-N 478.505 2.048 10 20 JECD C[C@@H]1[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)CCN1C(=O)OC(C)(C)C 1804630942 BHICCRJETXPHIA-LHKMKVQPSA-N 474.558 2.390 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)[C@H]1CCCO1 1807690852 RHZRKELOKLXFBO-ZEYPLWLESA-N 461.522 2.059 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807999482 SYIPQPUYJJFVRA-JTUHZDRVSA-N 461.522 2.481 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1nccc2[nH]ccc12 1808087390 RSZHSOWUEMQEMJ-IVZQSRNASA-N 458.478 2.398 10 20 JECD CC[S@](=O)CCC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808468412 QERBUYKQLKGVMZ-BGSAWDPPSA-N 495.605 2.039 10 20 JECD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810555070 ZSFSSEGKMHRPHU-RGEXLXHISA-N 468.510 2.108 10 20 JECD Cn1nccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1816481317 WJYIZFLMJPXUSE-VFADXPBXSA-N 452.471 2.279 10 20 JECD COc1ccccc1OCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720330 LYINKZARWBWTNI-CYBMUJFWSA-N 470.507 2.263 10 20 JECD CC(=O)Nc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)o1 1816724833 AOIRMXOXNKRPFU-LLVKDONJSA-N 457.468 2.040 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1nc3ccccc3[nH]1)CC2)c1cc(O)nc(O)c1 1816726395 YCKKCRBCRAWDBF-LLVKDONJSA-N 450.480 2.365 10 20 JECD COc1ccccc1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1825427051 WGVHVMSJQIBTDD-CYBMUJFWSA-N 490.632 2.167 10 20 JECD O=C(/C=C/c1cnccn1)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1827012768 SJYOFDMDEXSOJJ-LOWQCSRCSA-N 487.545 2.351 10 20 JECD Cn1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)n1 1827715655 OPGLQPQKNRDHFN-HSZRJFAPSA-N 476.581 2.375 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)[C@H]3CCCSC3)sc2C1 1828163552 MXZWXCVENBQNRR-QWRGUYRKSA-N 470.667 2.059 10 20 JECD O=C(c1cnccc1F)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902724 ROOIYMCKJHPGEI-QGZVFWFLSA-N 464.588 2.314 10 20 JECD CC(=O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1833412568 JWPZGVLNPZCTBP-FNORWQNLSA-N 473.570 2.003 10 20 JECD Cc1scc(C(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)c1C 1834320336 LBTMOMOYVAFBEB-UHFFFAOYSA-N 494.708 2.410 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cccc(F)c3F)CC2)CC1)c1cc(O)nc(O)c1 1834989016 YPJKTFQZNQTWJI-UHFFFAOYSA-N 460.481 2.270 10 20 JECD Cc1ccc(O)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1 1839433289 DFDQORVXDCEJFR-HSZRJFAPSA-N 476.913 2.149 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)[C@@H]2CCc3ccccc3O2)C1 1846334852 UHGJBFOMBGEQCG-QFIPXVFZSA-N 458.518 2.377 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(S(C)(=O)=O)c3)cc2F)C[C@@H](C)O1 918289664 ZPFCAEWTXLKCIO-GASCZTMLSA-N 463.531 2.098 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Br)cc3)cc2)C1 918464636 XZOKCGIVDBMHHH-HNNXBMFYSA-N 459.344 2.406 10 20 JECD CC(C)S(=O)(=O)c1ccccc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918644801 KZTGQWIUMGLUDD-UHFFFAOYSA-N 450.582 2.034 10 20 JECD CN1CCN(CCCCNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 918779682 PSZHUOKAQKKJLF-UHFFFAOYSA-N 457.541 2.369 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c3cnn(C)c3)c2C)cc1C 919130607 KPBWCBLMFGJNQF-UHFFFAOYSA-N 458.540 2.149 10 20 JECD CCOc1ccc(S(=O)(=O)N(CC)CC)cc1N/C=C1\C(=O)NC(=S)N(CC(C)C)C1=O 920979660 GFQZPBVNJHIWSD-FOWTUZBSSA-N 482.628 2.311 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc3ccccc13)CCO2 1785505450 IPYMCVDMJHUFJQ-AQBQYSGMSA-N 491.500 2.214 10 20 JECD CC(C)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)no1 1785508683 JHDVHFQFWCKIHI-DOHLAZSCSA-N 457.483 2.072 10 20 JECD CC(C)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)on1 1789368449 FLZIMMUVRWXHHU-ZHSOGYNESA-N 471.510 2.222 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3ccc(CO)o3)cc2)CCC1 1789765350 NEGXBFUELWQKFX-UHFFFAOYSA-N 459.549 2.380 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790246084 JZXLDRDWFXJDHM-QMCDYZKMSA-N 450.944 2.220 10 20 JECD COc1cc(C)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1 1792218297 VVGWSEUVIJQPLA-VLSQUYHSSA-N 482.533 2.427 10 20 JECD CC(C)(C)OC(=O)N[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2)C1CC1 1793213235 MBERNHIPDXBHRK-XMTFNYHQSA-N 474.558 2.438 10 20 JECD Nc1ccccc1/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1795655354 KXTVDNJYRUNBIB-CTSHNCOSSA-N 457.914 2.250 10 20 JECD CC[C@@H](NC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796748758 IRRXMEWGFOJFEM-PVIWCNJMSA-N 487.645 2.341 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cc(Cl)ccn1)C2)c1cc(O)c(O)c(Cl)c1 1799769608 ZSQQNKQDCUIAAZ-DBWKPXFBSA-N 482.320 2.082 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1804283221 NZMPCDWGTFPPLN-WRSHOCEHSA-N 458.511 2.044 10 20 JECD O=C(CCc1ccco1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1804591582 MZYWMCJXQOERSJ-HRAATJIYSA-N 472.592 2.174 10 20 JECD O=C(CCc1ccco1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1804591586 MZYWMCJXQOERSJ-IIBYNOLFSA-N 472.592 2.174 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3[nH]ccc3n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996220 OFPYMAKLKQGAPL-QRQCRPRQSA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3N2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001588 URBRGXMSRYKTFC-NYDSKATKSA-N 459.506 2.244 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cccc2nc[nH]c12 1808007593 LRMKUNKLIDVTIU-QVKFZJNVSA-N 494.602 2.138 10 20 JECD C[C@]1(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)CCCN1 1808469324 LOYFUEFBAFVOCG-FRPAHBMMSA-N 474.565 2.022 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1cc(O)no1 1810984097 TZUBXHFRBXRNHA-SGTLLEGYSA-N 458.858 2.473 10 20 JECD Nc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)s1 1817362928 YQWISXFPROSYNJ-NSHDSACASA-N 481.563 2.201 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCC4)sc2C1)c1cc(O)nc(O)c1 1819127438 YTFJXQUSFBEKLD-LBPRGKRZSA-N 454.512 2.022 10 20 JECD O=C(Cc1ccccc1O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822014882 NJNDHOLKJBNVDO-HNNXBMFYSA-N 473.580 2.210 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cccc4ccnn34)sc2C1)c1cc(O)nc(O)c1 1823927654 RHKQPBIHJDBZKK-GFCCVEGCSA-N 450.480 2.137 10 20 JECD Cc1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1827907645 YZQQUXYXUZENLG-SFHVURJKSA-N 460.625 2.484 10 20 JECD CN1CCN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1830739646 ODEOPBRJWYLRFU-FQEVSTJZSA-N 479.021 2.232 10 20 JECD O=C(/C=C/c1ccoc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1832651436 BQYSVWYTUJNFDU-RDUCDJESSA-N 462.886 2.128 10 20 JECD O=C(Cc1ccc(F)cn1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898289 JKKOLSSGWJQVII-SFHVURJKSA-N 478.615 2.243 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CC3CC3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132714 HAMPDCYWVUHIGK-UHFFFAOYSA-N 451.571 2.151 10 20 JECD CC(C)CC(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835132874 VVNKCUAMVDJKRI-UHFFFAOYSA-N 453.587 2.397 10 20 JECD CC[C@@H](C)[C@H](N)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331337 LVDBOMMQHCBENH-UIFIKXQLSA-N 487.645 2.281 10 20 JECD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1845541508 SUJAOVKBSAJBDI-UHFFFAOYSA-N 477.477 2.219 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037641 VDAUMFWZDSEQGT-XSCLSICSSA-N 499.564 2.420 10 20 JECD Cc1cc(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 10192355 WBTCTMLTAPNBRO-UHFFFAOYSA-N 482.474 2.129 10 20 JECD COC(=O)Nc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1F 727613932 CYMSIHNQYBONFJ-UHFFFAOYSA-N 462.453 2.359 10 20 JECD Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)sc2n1 753520564 MHMMARZNQGMNOR-GFCCVEGCSA-N 474.564 2.277 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@H](CC(C)C)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)CC2)cc1 784496874 YGXSGFWBSDAUBD-ZRBLBEILSA-N 497.592 2.253 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(C(=O)N4CCCCC4)CC3)cc2F)C[C@@H](C)O1 916975388 DUTKMVGXWPTOMS-WOJBJXKFSA-N 475.609 2.279 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnnn3Cc3ccco3)cc2F)C[C@@H](C)O1 917205406 GDFODTCHOCMQRX-GASCZTMLSA-N 460.535 2.476 10 20 JECD O=C(NC1CC1)C(=O)N1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 917639623 UGGZMYNODBDFLJ-NRFANRHFSA-N 474.521 2.157 10 20 JECD CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)ccc21 917834462 YLNPATYVLDXICF-HXUWFJFHSA-N 470.595 2.031 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(OC(C)C)nc3)CC2)cc1 918248887 BSJLYJQLXHUDKI-UHFFFAOYSA-N 455.559 2.144 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 918443128 UHOOWYSVWJRTJZ-UHFFFAOYSA-N 464.566 2.386 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2F)C[C@@H](C)O1 918965878 MPOGLSCUBTVCFV-HUUCEWRRSA-N 483.496 2.138 10 20 JECD Cc1nc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nn1-c1ccc(F)cc1 919019851 BZLQLBWISLYULU-UHFFFAOYSA-N 471.464 2.164 10 20 JECD CCOC(=O)N1CCC[C@H](C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 919063507 WOUJCTHCJSZIEA-LMMKCTJWSA-N 479.549 2.467 10 20 JECD O=C1COc2cc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)ccc2N1 919660597 VFCXWGIIYYIYIJ-UHFFFAOYSA-N 478.427 2.128 10 20 JECD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 919841104 YTJNPYMEBSQJII-UHFFFAOYSA-N 490.541 2.365 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3ccccn3n1)C2)c1cc(O)c(O)c(Cl)c1 1781122785 NYUVQVUDGGHZPW-UZUQRXQVSA-N 485.928 2.235 10 20 JECD Cc1nc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cs1 1782004329 VMWWDACJXXWBLM-FQEVSTJZSA-N 451.932 2.202 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cc4cccnn4c3)C2)C1 1782386365 WEKMIFCLXNGALZ-QFIPXVFZSA-N 456.886 2.156 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(C)C(=O)CC4)C[C@@H]32)cc1 1790124400 WCOXDCRRTDQHBM-SSPYTLHUSA-N 491.592 2.296 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)C1Cc2ccccc2C1 1792317882 AELFJKPIJBRZJG-XDVNFZHTSA-N 478.545 2.211 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2cccc(F)c2)CC1 1793781471 RWOXMAUVBALMBJ-MRSFGVLCSA-N 490.535 2.240 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@@H]1CNc2ccccc21 1795621181 UVKWWTSDXIFNOI-FKEXNYPISA-N 457.914 2.164 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccc(Cl)c1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479337 NEYHCBOYUOGQDJ-XHNJZIHCSA-N 496.951 2.101 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncc[nH]1)C2 1796749160 ARKJUDBIQABOJO-IYWMVGAKSA-N 482.585 2.380 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cc[nH]n1)C2 1796749320 UPTCGLMYYGOOAV-CIAFKFPVSA-N 496.612 2.309 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cc2n(n1)CCCC2 1796934751 RIOSOGIFTRSTPQ-PDFPEKILSA-N 460.538 2.264 10 20 JECD Cc1ccc(C)c(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1800603328 QYXGZEWXMZVIIW-VSVJTWGKSA-N 474.561 2.228 10 20 JECD CC(=O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1803407131 YVDKVVRIPTXELB-WMZHIEFXSA-N 475.549 2.496 10 20 JECD O=C1Nc2ccccc2/C1=C/C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807995600 HBZAHKUFISDMBF-KZNXYACJSA-N 485.500 2.243 10 20 JECD Cn1cccc1C(=O)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808470163 TYEOPZDEVGNJDY-CYFREDJKSA-N 498.543 2.102 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccno2)[C@@H]1c1cccnc1 1814162145 GSZMPQIQBILBMN-CVTZPFNJSA-N 450.451 2.219 10 20 JECD CC(C)NCCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814163110 ZGJUCIVTLLFWJX-BIUKZJPMSA-N 468.554 2.306 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCCO1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817356785 CXWVFNPCIMACAB-KBXCAEBGSA-N 467.551 2.417 10 20 JECD COCc1oncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1817805849 BDLMBACOPWPBCW-QBODLPLBSA-N 486.506 2.334 10 20 JECD CCOC(=O)/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146590 RKYCLJRCIKJAMR-TZZQJPOUSA-N 478.509 2.314 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc(OCCCO)cc1 1821335735 YFIOOIKZSRGYTA-HNNXBMFYSA-N 484.534 2.250 10 20 JECD O=C(Cc1ccc2c(c1)CCO2)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822135560 FBEUDDBVUHSAJD-QGZVFWFLSA-N 499.618 2.440 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]cc3c2CCC3)[nH]n1 1823500129 QKTXIGOHUIHOAT-OAHLLOKOSA-N 472.596 2.393 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@H]2CCCCN2C(=O)Cc2cncnc2)CC1 1825288566 PJVRHJLGIPGPKY-HSZRJFAPSA-N 474.565 2.432 10 20 JECD CCn1nc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cc1C 1829397629 MUKCVRNYHBXQIC-SFHVURJKSA-N 477.656 2.305 10 20 JECD O=C(c1cccnc1S)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899134 GPORUCNGQBCDIR-MRXNPFEDSA-N 478.665 2.464 10 20 JECD Cc1onc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)c1C 1833607525 WFPZFCOVBXRHIP-GQCTYLIASA-N 484.553 2.307 10 20 JECD Cc1noc(C)c1C(=O)NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1834156328 WWILHHAQOCDRTF-UHFFFAOYSA-N 492.580 2.270 10 20 JECD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc(C)c1O 1834988445 TXUILIRUKZQAOQ-UHFFFAOYSA-N 468.554 2.314 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)CC1)c1cc(O)nc(O)c1 1834988711 HOFLTLMFMWVRFD-UHFFFAOYSA-N 477.565 2.402 10 20 JECD CC(C)c1cc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)no1 1837564157 ZWKSMABDCSEDTH-UHFFFAOYSA-N 494.639 2.271 10 20 JECD O=C(COc1cccnn1)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838688597 OOLGROOPNXIPGY-UHFFFAOYSA-N 490.944 2.232 10 20 JECD CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)CCCC1 1839432695 XLQQOZIJURRFTG-JOCHJYFZSA-N 452.935 2.402 10 20 JECD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1847041107 SXMLMWQWUWJGRD-GUFQSERGSA-N 487.553 2.323 10 20 JECD Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCOCC1 16134467 PCOLZTMVTKJWJC-UHFFFAOYSA-N 473.595 2.125 10 20 JECD Cn1c(SCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nnc1-c1cccs1 726769502 CJPMHKZXBLBAAD-UHFFFAOYSA-N 477.637 2.187 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(-c4ncon4)cc3)CC2)cc1 727032529 DEGZMDQBHLECBG-UHFFFAOYSA-N 464.526 2.012 10 20 JECD NS(=O)(=O)c1ccc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1[N+](=O)[O-] 864004513 QJEPNYWUYBBLSB-UHFFFAOYSA-N 487.517 2.110 10 20 JECD O=C(CN1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1)NC1CC1 914443545 YLIVJURYFOEZTG-LGMDPLHJSA-N 478.665 2.152 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(-n4nnnc4C)c3)CC2)cc1 915350225 MVNQTKGOLNMVCQ-UHFFFAOYSA-N 450.547 2.313 10 20 JECD C[C@@H](OC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 915463019 ORTCOTXOKVPJHZ-GFCCVEGCSA-N 496.472 2.433 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 918309545 ANROWCZTIRBENB-UHFFFAOYSA-N 465.959 2.177 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)c3ccc(=O)n(C)c3)c2C)c1 919199894 SJUZPPSETAIDOV-UHFFFAOYSA-N 480.473 2.406 10 20 JECD CCC(=O)N1CCC[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 919455287 RIPWHNZSKJMTML-QGZVFWFLSA-N 475.567 2.116 10 20 JECD CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O 920635500 GWIOJDDISAAMPW-UHFFFAOYSA-N 470.525 2.360 10 20 JECD C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccc(N2CCOCC2)cc1 920880705 MSCLEJLKSZTFMP-FYSMJZIKSA-N 454.502 2.307 10 20 JECD Cn1ccc2cccc(C(=O)N3CC[C@@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)c21 1777971745 AGPKDPWRGNKOLZ-WHVGEVHXSA-N 477.517 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3sccc3[nH]1)C2 1783248179 OTHBLPFRTRMNLX-IIBYNOLFSA-N 492.648 2.217 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c3cccc(Cl)c13)CCO2 1785541690 XZMWWNJDXUXSIR-OAQYLSRUSA-N 493.010 2.125 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccc4ccccc34)C[C@@H]21)c1cc(O)nc(O)c1 1787290258 NAIJTALMYWJRCX-XJABCFGWSA-N 477.517 2.318 10 20 JECD COc1cc(F)ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787541603 WBYZNCVTCCGSND-GRWTVWFQSA-N 494.523 2.221 10 20 JECD Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)nc2ccccn12 1792219241 LSCBHBVBANNPGG-AIONWGCTSA-N 492.532 2.066 10 20 JECD CCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796749227 QOITUIXJYQFKRB-PLACYPQZSA-N 474.602 2.379 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc3cnccc13)C2)c1cc(O)c(O)c(Cl)c1 1799769020 JXKMWXRLOYSLDQ-YVWYUNDQSA-N 468.897 2.211 10 20 JECD O=C(Cc1cnc2ccccn12)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1803101878 PAWDEYCWGIKEGS-MZNJEOGPSA-N 472.505 2.098 10 20 JECD O=C1CSC(=S)N1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc(F)c3)CC1)C2 1804331535 YTYSWBXXYHOLTP-BJWYYQGGSA-N 461.584 2.356 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)no1 1805832808 OIWZCQPPWREYAI-MBSDFSHPSA-N 472.505 2.491 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)C[C@H]3CCCCO3)C2)CC1 1806599768 GDBPDDXLXUHBOI-MRXNPFEDSA-N 453.630 2.037 10 20 JECD O=C(CCN1C(=O)c2ccccc2C1=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1806736822 JWLMPFQWDJCPRF-UHFFFAOYSA-N 492.532 2.024 10 20 JECD COC(=O)c1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1807997722 DKSZWOYSBKKMLH-DVECYGJZSA-N 490.516 2.237 10 20 JECD CN1CCC(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)CC1 1808465191 RIYCQXVERJIBLH-BWKNWUBXSA-N 488.592 2.222 10 20 JECD CC(C)c1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n[nH]1 1811504661 QZFZVNZYXNBYPU-VFNWGFHPSA-N 450.499 2.368 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)n1cccc1 1813315244 RUDUHJAFXZHSAM-MDYRTPRTSA-N 471.608 2.010 10 20 JECD Cc1cccc(/C=C/C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)n1 1814185547 SJTLMTLMOYKAIO-MPAHJKEMSA-N 495.630 2.365 10 20 JECD Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)o1 1814190852 AZACZIQLLUENRD-HRAATJIYSA-N 472.592 2.092 10 20 JECD COc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cc1O 1814649083 UEAGRNVYUPXCGT-MRXNPFEDSA-N 467.482 2.479 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1cc(=O)cco1 1816652245 RLSQOCMFZMVUJX-BIENSFFJSA-N 466.450 2.499 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(N4CCCC4)ccn3)sc2C1)c1cc(O)nc(O)c1 1817578276 LPTVFAVMAYPREZ-AWEZNQCLSA-N 480.550 2.484 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc2cccnc2[nH]1 1819114909 DXDGZMXCLSAADW-OAHLLOKOSA-N 483.579 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3ccccc23)[nH]n1 1823500252 XYSWOEJLHQNJBX-HNNXBMFYSA-N 483.579 2.452 10 20 JECD COc1nn(C)cc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708072 IZRIRNGGTGVNBS-SNVBAGLBSA-N 477.930 2.489 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1824533232 NYUZWZIDWOTWQQ-RQMBKDMJSA-N 473.570 2.351 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2)n1cccn1 1826867892 LPXPGIYENGLIAP-OWZHMFJBSA-N 469.523 2.343 10 20 JECD C[C@@H](Cn1cncn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716664 UDONLEUCVCLCOH-CVDCTZTESA-N 491.596 2.327 10 20 JECD CC(=O)Nc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)c1 1827738401 GOBITPOLJQJMKF-OAHLLOKOSA-N 467.507 2.447 10 20 JECD Cc1ccn(CC(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)n1 1828194934 DNZOQLYOJJTHBG-RRFAQUSLSA-N 469.523 2.090 10 20 JECD Cc1nocc1C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828195705 SNWYPWDNPYVFET-QDBLGGKGSA-N 456.480 2.496 10 20 JECD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1O 1839267651 CZCJYIUFINQRDF-QHCPKHFHSA-N 476.913 2.149 10 20 JECD CCCCC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881333 PLPXWLKIOUQAAV-DYECNDOXSA-N 476.570 2.489 10 20 JECD CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845500530 MBMZTFOAZGCAMT-DYVFJYSZSA-N 497.976 2.496 10 20 JECD CCOC(=O)N(CC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)Cc1ccco1 1847036769 BWVWRCXFYFBZCF-VQHVLOKHSA-N 499.520 2.272 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3c(Cl)nc4sccn34)cc2)C1 728583933 MPBGIOVRBYKRKO-CYBMUJFWSA-N 453.977 2.229 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 729496249 GPBIHDGWWOPHKI-IBGZPJMESA-N 494.564 2.454 10 20 JECD C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 729595735 ACFPHDPZYGHNTG-BGYRXZFFSA-N 461.626 2.487 10 20 JECD O=C(N[C@H]1CCN(CC2CC2)C1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 731054687 KJECPRVYMYNNAK-INIZCTEOSA-N 460.512 2.315 10 20 JECD CN1CCCc2cc(CNC(=O)N3CCN(S(=O)(=O)c4c[nH]c5ncccc45)CC3)ccc21 746983060 QGZPUZCPGIKNPB-UHFFFAOYSA-N 468.583 2.161 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(NC(=O)c4ccoc4)c3)cc2)C1 749029121 BZTRXLRFVOIFAD-SFHVURJKSA-N 489.532 2.489 10 20 JECD O=C(COC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NC[C@@H]1CCCO1 913361868 JOOSZPJYBXFODX-GFKDLEGOSA-N 499.408 2.489 10 20 JECD COc1cc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)ccc1C 918122532 MAIDUSMGJBXDKE-JOCHJYFZSA-N 493.608 2.373 10 20 JECD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c2ccccc2O1 918437527 JARBSBYAUHYJNL-QFIPXVFZSA-N 482.606 2.176 10 20 JECD CCOC(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1Cl 918466315 ZJPUWDFIKBPPNG-MRXNPFEDSA-N 486.956 2.473 10 20 JECD CCO[C@H]1C[C@@H]1C(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 919427620 OVNWFOVNXBXANA-GMAHTHKFSA-N 490.578 2.266 10 20 JECD Cc1cccc(-n2nnc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2C)c1 919569462 CVWDTDOFHOPBIA-UHFFFAOYSA-N 467.501 2.333 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@H]1CCN2CCC[C@H]2C1 919782752 DSALREXETXVIGG-PMACEKPBSA-N 453.566 2.368 10 20 JECD Cc1c[nH]cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1778199874 MAKPNHNVPIURIG-PXDATVDWSA-N 463.538 2.244 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1ccccc1Cl 1780293350 WDRCZLFPSUUTCR-IIBYNOLFSA-N 482.027 2.328 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(=O)oc1)C2)c1cc(O)c(O)c(Cl)c1 1781121103 DKOOZIXFEYCGLA-VGOFRKELSA-N 462.886 2.146 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)c[nH]1 1783222076 HMTVZZXOUHDINT-XHDSPZKDSA-N 455.511 2.281 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CCO2 1785510147 OMGHHMARGLFPRA-ZGVNINRLSA-N 487.440 2.008 10 20 JECD Cc1cnn([C@H](C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)c1 1790246040 GZAVETUDPOVXTH-DFHZNHDVSA-N 462.934 2.111 10 20 JECD Cc1cccc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1799654269 BAQODYZAQQUSEA-JWMIDBARSA-N 452.507 2.337 10 20 JECD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)C1 1799766903 FATMJDGEWXVCSI-DNEZFVSUSA-N 494.972 2.324 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1800193666 WEHOXCUTJPDYOQ-NYYTWLDWSA-N 459.930 2.228 10 20 JECD COc1cc(Cl)ccc1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1801475210 RPMBLDPOFRCTEI-MUJYYYPQSA-N 482.027 2.390 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc(Cl)nc1 1802291723 FLDKRINGRNRNPD-KUHUBIRLSA-N 490.010 2.310 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(C(F)F)no2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995061 WZMLVHKQFJRSKE-SGTLLEGYSA-N 459.409 2.447 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccc3nc[nH]c23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995484 ZJLLNWNAFAXYAP-IVZQSRNASA-N 458.478 2.398 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)C1 1807999603 VBRMRZYHSCKLQN-UTAOTPEMSA-N 482.537 2.187 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccn2cncc2c1 1809969882 FPKLHDXIPVJBTE-VGSWGCGISA-N 458.478 2.169 10 20 JECD CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)C1 1810550039 QCGAWLVLIBVIES-UHFFFAOYSA-N 492.548 2.297 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCN(C(=O)CNC(=N)N)[C@@H]2c2cccnc2)cc1 1811265581 ZEQDBQVOOVZJKD-ZJSXRUAMSA-N 473.581 2.292 10 20 JECD COc1ccccc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1811729383 ZGNROSCYXDCQEM-IIBYNOLFSA-N 484.603 2.270 10 20 JECD Cc1nc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)no1 1811798565 RRAWZSPZGVGWKW-VBKZILBWSA-N 471.901 2.400 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc(F)cc1 1811903201 ZEVCFYGOXUASEB-UZLBHIALSA-N 472.567 2.401 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816727058 CQXSFEWJRQCCNT-CQSZACIVSA-N 481.534 2.431 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC(c3ccccc3)=NN2)[nH]n1)c1cc(O)nc(O)c1 1817846851 DVVVYXUMFMFCCD-RTBURBONSA-N 475.509 2.288 10 20 JECD Cc1ncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)s1 1823498029 LRRZYKYATGEZLW-LBPRGKRZSA-N 464.598 2.341 10 20 JECD COCc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c1 1823500169 UEKXZTIKTGMDOS-OAHLLOKOSA-N 476.584 2.050 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)CCc2cccnc2)CC1 1827218217 RLDSPQJXXVFNGX-LJQANCHMSA-N 474.652 2.494 10 20 JECD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)C1 1832896798 QFEZKOAWYGNVOY-KSZLIROESA-N 495.667 2.056 10 20 JECD O=C(CSC1CCCC1)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1833459515 FGRFKFKPTOXGBT-UHFFFAOYSA-N 498.740 2.094 10 20 JECD CCN(C)[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838110376 DIJUEJOGTNNCNS-IBGZPJMESA-N 483.613 2.118 10 20 JECD COC(=O)Nc1cccc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1 1843442286 ISXPLCASAJDNKC-UHFFFAOYSA-N 475.505 2.475 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCC(=O)N3CCc4ccccc43)CC2)cc1 726192115 QAGQNNKVFURPHF-UHFFFAOYSA-N 451.571 2.096 10 20 JECD NC(=O)c1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1F 726854277 IRFRCNNYQGHRHO-UHFFFAOYSA-N 450.417 2.250 10 20 JECD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 727768245 YCBXLJDNAMVHTK-AUSIDOKSSA-N 477.565 2.203 10 20 JECD COc1cc(OC)c(CCNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(OC)c1 731045291 ATHFOZJHFDJPLM-GOSISDBHSA-N 470.570 2.456 10 20 JECD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc2O1 750362112 VTRAUKUOOOCGEO-DEOSSOPVSA-N 494.592 2.238 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3cccc(OCCS(C)(=O)=O)c3)CC2)cc1 750710560 NUTSLQFQLOPDHS-UHFFFAOYSA-N 476.599 2.062 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)Cn3c(-c4ccc([N+](=O)[O-])cc4)noc3=O)cc2F)C[C@H](C)O1 750959522 LBKJTMBANURXDA-GJZGRUSLSA-N 485.472 2.481 10 20 JECD Cc1cc(CN2CCN(CC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)CC2)on1 916974006 CPCYKJCAOBKCQV-RTBURBONSA-N 459.566 2.170 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(I)cc3)cc2)C1 917930267 OSHPAGPONCRMSN-HNNXBMFYSA-N 499.374 2.471 10 20 JECD CN(C)C(=O)COc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 918031927 AHZMLSXJIOIOSG-SFHVURJKSA-N 453.543 2.177 10 20 JECD CN(C)C(=O)COc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 918295808 HJFPCGRVCZQFLE-FQEVSTJZSA-N 455.511 2.006 10 20 JECD O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)NCc1ccc(N2CCOCC2)c(F)c1 919094637 ZPFQTQWVFBAXFJ-INIZCTEOSA-N 491.466 2.153 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3cc(OC)c(OC)c(OC)c3)CC2)cc1 920253215 UTSWDGUASZXBEY-MDZDMXLPSA-N 469.538 2.242 10 20 JECD Cc1nn(C(F)F)c(C)c1CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 920916683 ODVKBBWMUCNLJD-UHFFFAOYSA-N 454.449 2.273 10 20 JECD CCOC(=O)COc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 920925901 MEFLYUOIMXTFCZ-KRWDZBQOSA-N 455.511 2.281 10 20 JECD Cc1ncnc(O)c1CCC(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1337701732 KHDRXXLWNCPHFA-GJZGRUSLSA-N 460.506 2.036 10 20 JECD CC(C)n1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)n1 1780206715 JBQLPPZBKJYKTK-ATIYNZHBSA-N 492.580 2.384 10 20 JECD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)n(C(F)F)n1 1780313546 UNNKOFJONBXTQP-HXUWFJFHSA-N 470.860 2.409 10 20 JECD CCOC(=O)O[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1781514778 WQRXSEIYAQMPGX-NYFKNOIKSA-N 484.933 2.440 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)N2CCN(C)CC2)CCO3)cc1 1781754459 UTVJJSVBXUIOSM-QDPGVEIFSA-N 493.652 2.174 10 20 JECD C=C(Oc1ccccc1O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782002961 XWYMMLIIMMHIIA-QHCPKHFHSA-N 474.897 2.493 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)CCc3c[nH]c4ncccc34)C2)C1 1785497502 SSTYJRQUPSXNSM-QBHGEWLWSA-N 492.532 2.156 10 20 JECD CCc1[nH]nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)c1Cl 1787135325 OTHDOZRQYGPFCO-UPXVOXCFSA-N 490.944 2.049 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4cccs4)on3)C[C@@H]21)c1cc(O)nc(O)c1 1787293257 FIBVQSHKTVTDRV-JDFRZJQESA-N 470.507 2.116 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1snnc1C1CC1 1787741552 VHOVGKDVTWUDGZ-RBOXIYTFSA-N 478.958 2.387 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(=O)n4O)C[C@@H]32)cc1 1790126346 VECGANLQTOUVAS-SSPYTLHUSA-N 490.560 2.400 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243769 KSSHMBPBWOQXFU-UTLVKMTRSA-N 491.884 2.272 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3nc4ccc(F)cn4n3)CCC2)cc1 1792315848 HKTXBWQSGBYHSG-UHFFFAOYSA-N 498.565 2.476 10 20 JECD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1802247086 CIFMPCYJZVAIPR-FSUWWEFTSA-N 470.522 2.210 10 20 JECD CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)N(CC)CC 1803699954 SGSMPAIUNDFUIE-JUXOCIIHSA-N 455.559 2.328 10 20 JECD CCN1CCN(c2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(O)nc(O)c3)C4)cc2)CC1 1803901238 PTPREINNBBPNNN-QQFNCUIESA-N 479.581 2.200 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1cc(Cl)c2nncn2c1 1804285698 IHLFQEJBUDWRSG-KOTZLPFRSA-N 483.912 2.465 10 20 JECD CCn1ccc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)n1 1805906894 APIYBSDJUGMECA-XZSBDORCSA-N 477.521 2.448 10 20 JECD CC(=O)c1cc(C(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)n[nH]1 1807933513 OEGXRLFIXUAKCF-UHFFFAOYSA-N 476.537 2.250 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807997869 GCMOZFSTBXRBMF-JIGPKXGUSA-N 463.494 2.070 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)on1 1808467964 LLNAWPQDLGRWOX-FDDCHVKYSA-N 472.505 2.491 10 20 JECD COc1cnc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cn1 1814162833 RRJGCPBOGWMXNK-VVVOIBFMSA-N 491.504 2.030 10 20 JECD Cc1nc[nH]c1CSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817846228 LNRGJGOZGZNZBX-INIZCTEOSA-N 471.543 2.487 10 20 JECD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1820678793 OFOPXMRUHFRBQV-ACJLOTCBSA-N 496.499 2.479 10 20 JECD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)n1cccc1 1822679328 MEEJBCLZRWWSLI-HIFRSBDPSA-N 460.585 2.325 10 20 JECD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)c1ccccn1 1823502044 ZZINTEUARYGERI-CJNGLKHVSA-N 472.596 2.461 10 20 JECD O=C(c1nccc2nc[nH]c12)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827425875 BUNBNNNCXWDQIT-KRWDZBQOSA-N 450.499 2.311 10 20 JECD CC(C)(C)n1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)nn1 1832900510 HVQYAPWHFZAHJR-QGZVFWFLSA-N 492.671 2.127 10 20 JECD CN1CCC[C@H](C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)C1 1838110448 LAKINHYZMWUWGZ-FQEVSTJZSA-N 495.624 2.120 10 20 JECD CNc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1839433724 AOXFUMZXSVAJJW-HSZRJFAPSA-N 475.929 2.177 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)/C=C/c2ccc(Cn3ccnc3)cc2)C1 1841982510 NIRGMKZNDGBJNH-VOTSOKGWSA-N 495.630 2.008 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)[C@@H]2Cc3[nH]nc(C(F)(F)F)c3C2)C1 1845859150 JRDLWHYCEUGFCH-LQPUYASZSA-N 492.454 2.177 10 20 JECD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)C1 1846357268 CCDQTWKSYBVBJH-WBVHZDCISA-N 474.558 2.393 10 20 JECD CCS(=O)(=O)CCOc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1 746354465 PGBVWHSERZECPV-UHFFFAOYSA-N 454.570 2.138 10 20 JECD COc1ccc(NC(=O)c2cccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)c2)cn1 749030706 KTWDXWKXZVFYAG-UHFFFAOYSA-N 489.532 2.434 10 20 JECD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)N1C[C@@H]2C[C@H]2C1 1779255030 ACSUKMWGFXRDRO-UZIVIXNWSA-N 477.989 2.219 10 20 JECD C[C@H](Nc1cnccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781121841 BNWFUHBEBXIKBT-FPULEUEGSA-N 489.960 2.169 10 20 JECD CC(C)(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)cc1 1781732348 XHLSWUUXPMBEKP-QHCPKHFHSA-N 491.635 2.168 10 20 JECD O=C(CCc1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1785414675 MGVOTZCXKXJFGF-XJABCFGWSA-N 480.590 2.453 10 20 JECD Cc1[nH]nc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)c1F 1787165494 BVERASVHYIRTQX-UHFFFAOYSA-N 461.544 2.465 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)C[C@@H]21)c1cc(O)nc(O)c1 1787292450 RERCBFGOLZMERF-ZZKADIETSA-N 473.476 2.168 10 20 JECD CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1)N(CC)CC 1790242965 IGYGUYAFUIILTO-LLYILUEJSA-N 467.994 2.465 10 20 JECD COC(=O)[C@H]1CC=CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1791237162 CUQVEYRWYXRJRV-GWKKSSCLSA-N 492.956 2.100 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1c(F)cccc1Cl)C2)C1=NN(c2ccccc2)C(=O)C1 1796479340 NIAGMRKBRQZDRR-VJZPNJBGSA-N 498.942 2.404 10 20 JECD COc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)c(OC)c1 1796604263 WUIWRDRIIXAMEB-BCDXTJNWSA-N 455.511 2.395 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)[C@@H]1CNc2ccccc21 1807173929 BLERCLCKIWMZCQ-XKDCRVNJSA-N 459.506 2.417 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2COc3ccccc3O2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993663 LLBHXYVAFDBZMB-ITSWEJNFSA-N 476.489 2.047 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811806425 MPFSIKDTIKVWDI-KZULUSFZSA-N 486.872 2.411 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)[C@H]1CCCSC1 1814143431 AGJQJIQUTBDMAZ-BXWFABGCSA-N 478.665 2.091 10 20 JECD C[C@H](Cn1cccn1)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162607 NYWDXFNRYUDYRV-HXDUALHLSA-N 491.548 2.450 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc(Cl)nc2)[C@H]1c1cccnc1 1814184680 CUTDNUIRBXNFNJ-KUHUBIRLSA-N 490.010 2.310 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)COc2ccccc2)[C@@H]1c1cccnc1 1814185478 CBHHWYYDCJXNCT-HTAPYJJXSA-N 484.603 2.027 10 20 JECD Cc1nccn1CC(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362281 UOUJYDLNBAKNKY-HNNXBMFYSA-N 477.550 2.053 10 20 JECD CC(=O)c1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)n[nH]1 1818145756 ITOUEUACVDXNDN-HXUWFJFHSA-N 488.508 2.434 10 20 JECD COc1nn(C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145801 KBSLBJAGJHUJLW-IBGZPJMESA-N 490.524 2.251 10 20 JECD CN1CCC[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)C1 1822560036 UPASZSVRHXIHFL-KOMYPQRHSA-N 472.567 2.227 10 20 JECD Cc1cc(C)n(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)n1 1822665031 DITQTMWBISBMMQ-QGZVFWFLSA-N 453.503 2.425 10 20 JECD Cc1nccn1[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822886234 ZGVMRBHHQRUAMB-SWLSCSKDSA-N 475.600 2.028 10 20 JECD CC(=O)N[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)C(C)(C)C 1824361767 YEWWJEMHFSPSMX-NQIIRXRSSA-N 460.575 2.277 10 20 JECD COc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc1F 1828243750 UVHKWMUNLHBYQK-LLVKDONJSA-N 494.595 2.377 10 20 JECD CCc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)n(C)n1 1829328298 WKHLWEVVUSFFLP-KRWDZBQOSA-N 477.656 2.076 10 20 JECD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(C)c1 1838904655 RVCFTNGWXVMMKM-OZJHFHSKSA-N 482.533 2.204 10 20 JECD Cc1nn2cccnc2c1C(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 109128640 HRCNYBPAAIAJIA-UHFFFAOYSA-N 467.507 2.132 10 20 JECD CSC[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 728300532 HVZMGAFUVDVHRO-HBMCJLEFSA-N 459.612 2.388 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NCC1(N2CCCC2)CCOCC1 729599373 GJYLJUFZMCRAQI-UHFFFAOYSA-N 497.619 2.387 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N[C@@H](CN3CCOCC3)c3ccc(C)cc3)CC2)cc1 742947641 KENCXZJRJXZRFC-SANMLTNESA-N 481.641 2.498 10 20 JECD O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCN(c2ccncc2)CC1 913640694 JSPPKHNHAVZLHP-UHFFFAOYSA-N 483.506 2.459 10 20 JECD CCNC(=O)c1cccc(CNC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 916197087 NENBFJVLRLZCGO-UHFFFAOYSA-N 453.587 2.456 10 20 JECD C[C@H](OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 916523768 JUNDHUGTRVZVLL-WHDAMIPWSA-N 489.484 2.053 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cn3cnc4c(oc5ccccc54)c3=O)cc2)C1 917832920 JPMLGYPUMWYTOZ-KRWDZBQOSA-N 459.506 2.161 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cc(S(C)(=O)=O)ccc3F)cc2F)C[C@H](C)O1 919623038 ZNHJFXNTNYBERF-GJZGRUSLSA-N 496.532 2.455 10 20 JECD C/C=C/C=C\C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1781729898 CIVUNWSZPIBBTN-WYJSHWGJSA-N 450.539 2.426 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCn1ccnc1)C2 1783222938 RCAZEGQEWHUGRE-OOSRFHLNSA-N 484.553 2.007 10 20 JECD Cc1nnc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)s1 1785325611 WCZXZRNLZOHIST-JDFRZJQESA-N 480.974 2.137 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1786865774 CTCWKPSHDFUXJW-BAGFXWCHSA-N 474.945 2.240 10 20 JECD Cc1nc2sccn2c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792217670 GUQWDDRZOZCFRL-HTERZNMPSA-N 498.561 2.128 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C13CC(c4ccccc4)(C1)C3)C2)C1=NN(c2ccccc2)C(=O)C1 1796482568 JFLISCDWOORWNH-MPRYPCJVSA-N 498.583 2.491 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COC(=O)C(F)(F)F)cc1 1797655364 NLZDLSDDSSILLU-RMFSNUHRSA-N 493.482 2.403 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccccc1C(F)(F)F 1798845152 NIBNYGNPAAZIHQ-IVWMJMPLSA-N 451.401 2.029 10 20 JECD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc1 1802079399 HDHJJBVKRHXLDV-SLYQKEBESA-N 466.534 2.347 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ccccc1)C2 1802081361 QYTLQCBBDFHATN-TYLLUKGSSA-N 470.547 2.199 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccc(-c2cc[nH]n2)cc1 1804336048 SZUHZLBMTYUIJM-BJWYYQGGSA-N 469.592 2.189 10 20 JECD Nc1ncc(C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)s1 1808467972 LOBRBKZPSLEZFS-HRAATJIYSA-N 489.561 2.233 10 20 JECD C=CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1810532914 RJLWYTNIVISENZ-WAWZGNHOSA-N 472.929 2.157 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1cc(CO)on1 1811592253 LGIVBOQLEKDPLF-BFUOFWGJSA-N 472.885 2.260 10 20 JECD N=C(N)SCC(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811803905 OSOFCIGBHQGEAU-PXAZEXFGSA-N 463.947 2.092 10 20 JECD O=C(CC1(O)CCC1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813635474 XPXUVDYBIIYILC-YADARESESA-N 475.549 2.185 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722319 XPPMFDCUFSLCJP-SJLPKXTDSA-N 479.562 2.232 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)nc3n[nH]cc13)CC2)c1cc(O)nc(O)c1 1816722843 YRRQTCPPOJYSQZ-VIFPVBQESA-N 485.913 2.414 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(Cl)o1)CC2 1828245045 XIXBPLFRUBQBCW-QMMMGPOBSA-N 470.985 2.476 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)Cc3cccc(F)c3F)CC2)CC1)c1cc(O)nc(O)c1 1834987319 LFZUQPZOSVMPLZ-UHFFFAOYSA-N 474.508 2.199 10 20 JECD Cc1nccc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)n1 1838156826 MWNRRKCICFUINZ-HWKANZROSA-N 482.537 2.227 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cc3F)C2)C1 1839433715 RMYUFNYCODMGIO-QFIPXVFZSA-N 482.867 2.413 10 20 JECD Cc1ccc(C)c(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1839936734 PXCGUAIVSGNIIW-WZSLKZGSSA-N 496.560 2.133 10 20 JECD O=C(COc1ccc(F)cc1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442086 WRJAMWTYXMRXEP-UHFFFAOYSA-N 450.470 2.201 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc4sc(C)nc4cc3OC)CC2)cc1 726857301 SZDXFVJETVUILR-UHFFFAOYSA-N 483.594 2.499 10 20 JECD COc1cc(C)cc(CN2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)c1O 818277646 OKZYDOKCYHSBPG-UHFFFAOYSA-N 481.958 2.200 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 918439201 UWDQSVRSPPRHHV-UHFFFAOYSA-N 466.563 2.144 10 20 JECD Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1C(=O)N1CCCC1 918463954 PVWZYVVYWGXBMM-HXUWFJFHSA-N 491.592 2.188 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)nc12 918836295 CUPCBYKTQPBQGV-UHFFFAOYSA-N 454.483 2.382 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3sccc3NS(C)(=O)=O)cc2F)C[C@@H](C)O1 919371852 HUWRMPPPIIHSPY-ZIAGYGMSSA-N 499.586 2.346 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cnn(C)c3-n3c(C)ccc3C)CC2)cc1 920410147 RKQFBHDSPOFHJW-UHFFFAOYSA-N 451.527 2.342 10 20 JECD CN(Cc1cc(Br)cs1)C(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O 920637464 HCNBCJIUYDCWHE-UHFFFAOYSA-N 477.358 2.403 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1778753240 JPWPBRZLQCTXKI-JOCHJYFZSA-N 456.886 2.385 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)C1 1780669264 QUYHXNBWUZYFCP-LJQANCHMSA-N 487.525 2.009 10 20 JECD COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1F 1785510645 VIMPQDMNPRQOPT-OGPASDKVSA-N 486.496 2.037 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1ncccc1-c1ccccc1)CCO2 1785539555 DEWRBEZMYISZJJ-XMMPIXPASA-N 496.614 2.052 10 20 JECD Nc1ccccc1/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1786908779 RDVWCHXHSPAJMQ-IVJPNDJTSA-N 479.533 2.092 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787540148 JLWZBFLOJWSLCE-OQZHBAMCSA-N 490.560 2.227 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCSC3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245640 VJCPDELJSBKDNW-HRJSJKBJSA-N 454.976 2.488 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccn2nccc2c1 1796934879 WQRNCNPBNXKZCL-ZHPFXUNLSA-N 456.506 2.379 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2nc3ccccc3[nH]2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995902 KXGQVOAESHAVDP-QVKFZJNVSA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc2[nH]ccc2n1 1809794068 PFOBFTZZJKSBJP-BTYIYWSLSA-N 494.602 2.138 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)[S@](=O)c1ccccc1 1812355373 XUBOVLDKEAUCAV-CGEIVOOTSA-N 494.573 2.404 10 20 JECD O=C(Cn1cnc2ccccc21)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812969617 JIIHMUMSINTLST-MZNJEOGPSA-N 472.505 2.257 10 20 JECD CCn1ccc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1814162797 QACWGXBSDLZKKJ-XZSBDORCSA-N 477.521 2.448 10 20 JECD COC[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162896 YGRPXKNORXUFSK-AWXYDUOHSA-N 455.511 2.200 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)CCc2cccc(O)c2)[C@H]1c1cccnc1 1814191185 IKOCXFSDVGXHFB-JPYJTQIMSA-N 498.630 2.286 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(C(F)F)no3)sc2C1)c1cc(O)nc(O)c1 1815828320 HJWANRZTXAZBHW-QMMMGPOBSA-N 451.411 2.415 10 20 JECD CC(C)n1cnc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)n1 1817691377 LPRZLFDWOGZQBP-GBVBUYCNSA-N 484.538 2.372 10 20 JECD O=C(Nc1cccnc1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823710455 DXFCVMGGLBNDQA-LLVKDONJSA-N 487.925 2.467 10 20 JECD N[C@@H](C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cccc(Cl)c1 1834731212 BJTHFCOLPGSVFN-JOCHJYFZSA-N 487.988 2.031 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc(Cl)ccn3)CC2)CC1 1838029895 NLNNRKRERDTKDQ-UHFFFAOYSA-N 460.918 2.467 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc4c(c3)COC4)CC2)CC1 1838031619 WFDITDRFNPZAJJ-UHFFFAOYSA-N 467.522 2.449 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)C(C)C)C3)C2)cc1 1839348773 LEHDIAOSWRJGNA-JYFHCDHNSA-N 469.582 2.181 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1839434034 JXBWBUPSSKAAME-HSZRJFAPSA-N 486.912 2.011 10 20 JECD CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)C1CC1 1843360288 UMMYECCXKGRHNN-NRFANRHFSA-N 495.580 2.286 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cccc(Br)c2F)C1 1845319723 XRHFHKXLPISQKB-UHFFFAOYSA-N 486.388 2.266 10 20 JECD CCNC(=S)NCC(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1845399194 ABZJTPPFYQOBFS-UHFFFAOYSA-N 453.612 2.395 10 20 JECD COc1ncccc1CCC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847033861 LUEBDAJGBXCJGP-UXBLZVDNSA-N 453.495 2.056 10 20 JECD O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 914438436 XTFCLVNFIREESS-WIZMWCRPSA-N 499.705 2.061 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC(C(=O)N4CCCC4)CC3)cc2F)C[C@@H](C)O1 916975093 PBZPQVJAVZFAGI-RTBURBONSA-N 460.594 2.390 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)cc2F)C[C@@H](C)O1 917918391 PBBOPKCXGLPZGM-IYBDPMFKSA-N 464.563 2.482 10 20 JECD COc1ccccc1C(=O)NCC(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918968155 WKZNAHFFUFKLMZ-CALCHBBNSA-N 487.528 2.037 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cc(C(F)(F)F)ccc3=O)cc2F)C[C@@H](C)O1 1251193501 KNOKXTHFJOPCBW-HUUCEWRRSA-N 499.461 2.479 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1778592047 LZERIRSMNNDNPO-JOCHJYFZSA-N 456.886 2.385 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781753884 SWUXSQIKRRCPGJ-RXFWQSSRSA-N 464.566 2.228 10 20 JECD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc1OCC1CC1 1781884007 WMWXIPCNVJFMKY-VWLOTQADSA-N 483.521 2.048 10 20 JECD CC(C)Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)cc1 1781920630 DCBJJCLWJXKZCD-QHCPKHFHSA-N 475.636 2.189 10 20 JECD CC(=O)Nc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1782005497 JNIADUOMAPUYCA-XMMPIXPASA-N 487.940 2.396 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1c(F)cccc1F)CCO2 1785507069 JPWGSMXBEKXYJG-NKOINVLESA-N 460.433 2.239 10 20 JECD COc1cccc(/C=C/C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785510232 HTYSTUAGALFBKT-CPPXCMDSSA-N 480.517 2.369 10 20 JECD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1)N1C[C@H]2C[C@H]2C1 1789449738 PZRWCNXQJUDDQI-HRCADAONSA-N 472.636 2.321 10 20 JECD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c(-n2nccn2)c1 1798631436 SSSCYULTTSKKKI-VPTLXERWSA-N 497.939 2.157 10 20 JECD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1)c1ccc(O)cc1 1799769090 LCHPQGQCIVHYGD-ZIKOISBGSA-N 460.914 2.464 10 20 JECD COC(=O)[C@H]1CCC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1802257508 IFNBYLNPTMKVLC-PDOGQZKBSA-N 472.538 2.434 10 20 JECD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1803587256 IAIUFNNPOIFMPQ-WTANOLMUSA-N 495.985 2.147 10 20 JECD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)ncc1[N+](=O)[O-] 1804285828 GYTLDQAEGKYWOJ-NCSLWMNCSA-N 468.466 2.380 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1ccccc1-n1nccn1 1804289888 YEQVMTFGUFUVIA-GFPDGJBOSA-N 475.505 2.349 10 20 JECD CC(C)(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cn1 1804334522 LYJLFYBJCPXBDJ-MUJYYYPQSA-N 460.625 2.491 10 20 JECD N[C@H](C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1)c1ccccn1 1809792672 SKTZMUBPYOZEHW-QHCPKHFHSA-N 474.565 2.106 10 20 JECD Cc1nnc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)o1 1811803994 PYWVTBLHUZSOTD-XOBRGWDASA-N 471.901 2.400 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1O2 1812893157 DXHTUZTZCVTMKM-RYRPVMDLSA-N 479.533 2.485 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cnc3ccoc3c2)[C@@H]1c1cccnc1 1814188991 IOSSFUKVGBBFSQ-YCRPNKLZSA-N 495.586 2.403 10 20 JECD COc1ccc([C@@H](O)C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cc1 1814635726 JXMYPGFSIAJXNL-DYESRHJHSA-N 467.482 2.264 10 20 JECD Cn1ccc(=O)cc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823712562 OFWLASNXWVPNJZ-NSHDSACASA-N 474.926 2.446 10 20 JECD C[Si](C)(C)c1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)co1 1835725806 NZDPHFSGPYBPPO-UHFFFAOYSA-N 486.645 2.130 10 20 JECD Cc1cnoc1C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838110408 HBJBRHGCYMVRLD-UHFFFAOYSA-N 479.537 2.388 10 20 JECD Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 918140860 DPPJBLFIFZVSLI-UHFFFAOYSA-N 484.557 2.452 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(C(=O)N4CCCCC4)c3)cc2)C1 918463003 GFXVKZBGZSLOII-OAQYLSRUSA-N 491.592 2.269 10 20 JECD NS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1F 918614846 IKQRKTYICJUJMN-UHFFFAOYSA-N 461.437 2.259 10 20 JECD C[C@@H](CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)CN1CCCC1 919782955 PTSCLIBJIZGESB-IBGZPJMESA-N 455.582 2.473 10 20 JECD O=C(NCCCN1CCCC1)C1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 919790950 UMBMQGWFIXYKMC-UHFFFAOYSA-N 457.619 2.047 10 20 JECD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 919818283 FIENSJKYYXYUKC-INIZCTEOSA-N 480.518 2.331 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 920031525 FMSXPMDMWNQNSN-IEKAHNGHSA-N 476.577 2.285 10 20 JECD C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)c1ccc(N2CCOCC2)cc1 920881709 XHGOGGLLBORMCK-MGPUTAFESA-N 458.946 2.028 10 20 JECD CCSc1ncccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777846521 MQEGXJKCZAGAEO-UZUQRXQVSA-N 472.567 2.441 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(F)c(F)cc1F)C2)c1cc(O)nc(O)c1 1777852627 ODSALRHFTFGOQH-VGOFRKELSA-N 465.428 2.351 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C3CC3)on1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126943 TZODGEQXTAKPAB-ATIYNZHBSA-N 491.548 2.472 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCSCC1)C2)C1=NN(c2ccccc2)C(=O)C1 1778127606 SOYSXPUKLDUGEE-PXDATVDWSA-N 484.622 2.436 10 20 JECD CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1779038396 UCWMDPTYSYUINF-RUZDIDTESA-N 483.638 2.022 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C2)C1 1781884305 GQVCMLCGXWXGFX-AQBQYSGMSA-N 490.516 2.350 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cccc4nccn34)C2)C1 1782360988 GVBWULLZMGKQHU-QFIPXVFZSA-N 456.886 2.156 10 20 JECD C[C@H](C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1)[C@@H]1SC(=N)NC1=O 1788427907 DVDIMRUJBIGMQD-GTNSWQLSSA-N 469.523 2.043 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2)c1cc(O)nc(O)c1 1796141263 VHXDOCWHVRAQBS-VTEUUUEMSA-N 484.490 2.133 10 20 JECD O=C1Nc2c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(O)c(O)c(Cl)c3)cccc2C1=O 1800718369 WKQOUZODHBNBPH-CLLJXQQHSA-N 469.881 2.452 10 20 JECD COc1ccc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c(F)c1 1802079684 RCWSHIWKMSQNNC-CCZPZZJPSA-N 498.507 2.267 10 20 JECD CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1803162089 MFQKCYIKMMWZBE-ZWSUVBHBSA-N 488.592 2.365 10 20 JECD CCOC(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c1F 1804336001 PLEJTKZIHCYPCO-BTTYYORXSA-N 493.582 2.115 10 20 JECD CCn1nc(C)cc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807983488 KXEOBLCEFTZGMJ-IIBYNOLFSA-N 450.499 2.046 10 20 JECD COc1ccc(OCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1807990781 ACBFJCFYBGTZAA-MZNJEOGPSA-N 478.505 2.295 10 20 JECD CCOCCC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808470263 VGSWSNGAEQYZSZ-CYFREDJKSA-N 463.538 2.307 10 20 JECD Cc1cc(C)n2ncc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c2n1 1809191853 YJBYRSZQFXPGEV-VGSWGCGISA-N 487.520 2.181 10 20 JECD CS(=O)(=O)c1ccc(F)c(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)c1 1810554567 NZJPGHQWFNPMAV-UHFFFAOYSA-N 491.541 2.194 10 20 JECD CCc1noc(C)c1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1810942864 YRIWZENYVNNORU-FOIQADDNSA-N 487.607 2.120 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cc2ccoc2cn1 1812068326 QNOUSKRONPFRRA-IIBYNOLFSA-N 495.586 2.403 10 20 JECD COc1cnc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)c(F)c1 1816215217 YWTSPAYWIMMPON-AWEZNQCLSA-N 492.558 2.119 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cn3ccccc3n1)CC2)c1cc(O)nc(O)c1 1816725309 NPXDBFNNAPAEQR-GFCCVEGCSA-N 450.480 2.137 10 20 JECD O=C(CCc1cnccn1)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817367197 RUCGPMYNDBYJBR-HNNXBMFYSA-N 489.561 2.271 10 20 JECD CC(C)(C)n1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)nn1 1817847649 QGEIOJDAYKATSO-HNNXBMFYSA-N 454.491 2.182 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)[C@H]1CCCS1(=O)=O 1821837866 DHFCREOJEGJOET-GDBMZVCRSA-N 482.946 2.357 10 20 JECD CCS(=O)(=O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1824467657 BBIJIAGKYJBKAF-QGZVFWFLSA-N 472.991 2.419 10 20 JECD CO[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)c1ccccc1 1828242235 FOZWARUPIPOUQG-SCLBCKFNSA-N 490.632 2.303 10 20 JECD Cc1cccc(/C=C/C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)n1 1828243789 VUUKNRQFMNDGSC-OWNNVSBGSA-N 487.632 2.332 10 20 JECD O=C(c1cc(O)n[nH]1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877430 KJIDPOMNGWVZAA-QQOXCAACSA-N 456.499 2.179 10 20 JECD CCOC(=O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832885609 RWQXODKPXLUKCB-MRXNPFEDSA-N 483.656 2.056 10 20 JECD Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c(O)n1 1832900255 GTGXANKODHECRH-KRWDZBQOSA-N 476.624 2.189 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccc(C(F)(F)F)nc1 1834226772 PLHGVCYWAUGSSO-UHFFFAOYSA-N 493.486 2.406 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc(F)cn3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132907 ZNBUOTCUFNNKES-UHFFFAOYSA-N 492.555 2.199 10 20 JECD Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)nc1C 1837332744 VODDKCZRHQXBPP-UHFFFAOYSA-N 454.527 2.431 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1839434028 JTPRFDKYKKSQOG-HSZRJFAPSA-N 486.912 2.011 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccccc2OC(F)(F)F)C1 1841156256 MSEPHDPXZZKZMJ-UHFFFAOYSA-N 473.498 2.263 10 20 JECD CC(C)C(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1842614205 LPOZXSXMKGUQEW-KRWDZBQOSA-N 461.559 2.393 10 20 JECD COc1ccc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c(O)c1OC 1843442612 WJMUSJUSCZKDSI-UHFFFAOYSA-N 478.505 2.019 10 20 JECD O=C(c1cccc2nc(C(F)(F)F)[nH]c12)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054680 VVKMWZYSMSKKLS-UHFFFAOYSA-N 497.524 2.259 10 20 JECD Cc1cc(CN2CCN(CC(=O)c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)CC2)on1 22253307 TYTYSSHDLUSWJB-UHFFFAOYSA-N 471.583 2.038 10 20 JECD Cc1cc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(C)n1-c1ccc(Cl)cc1 749573490 XEJUEQHTULVJKX-UHFFFAOYSA-N 456.930 2.181 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 749733668 XCQAOZIPCZJDCC-OAQYLSRUSA-N 469.513 2.437 10 20 JECD O=C(COC(=O)C1CCCC1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 825188258 PYKOJIKMACZKBD-YVLHZVERSA-N 462.549 2.466 10 20 JECD COc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(OC)cc1Cl 918463935 PLAKQWLDOOBFPE-OAHLLOKOSA-N 474.945 2.314 10 20 JECD C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1317724721 OVCVJDPQIYXJSB-HNNXBMFYSA-N 492.509 2.311 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3cc4cc[nH]c4cc3Cl)C2)C1 1778002996 RPYRFMKDSFGKIX-OAQYLSRUSA-N 493.010 2.125 10 20 JECD COC(=O)c1ccc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)nc(O)c5)CCO4)C3)ccc2c1 1782523758 FZMDQMGBFYBVEM-AREMUKBSSA-N 491.500 2.190 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cc3sccn3c1)CCO2 1785508219 BCHDYHPCZHGRHE-ZGVNINRLSA-N 469.519 2.275 10 20 JECD Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c(C(F)(F)F)o1 1785509177 OSDLYMYYDANYER-LAEWNIMASA-N 497.426 2.276 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(F)cc1)CCO2 1785509518 SSDWRICEIFTDHE-LHLOKTHNSA-N 456.470 2.028 10 20 JECD O=C(/C=C/c1cnccn1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1791927420 BORHQDRUIICNOX-VOTSOKGWSA-N 467.576 2.484 10 20 JECD CC(C)c1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)co1 1792217768 LQQDWUTYUWJEHG-XLKQXPMPSA-N 471.510 2.222 10 20 JECD Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)cn1 1795110662 HZLWTNHTWQLUPW-CIAFKFPVSA-N 496.612 2.390 10 20 JECD COc1nccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)c1F 1796931654 AECFKZWKGARAIT-ACHSLPGTSA-N 465.485 2.274 10 20 JECD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)C(=O)OC(C)(C)C 1796932013 ZAHXPCZWNFWGQU-GGPHIMKMSA-N 483.569 2.284 10 20 JECD O=C1Cc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C3=NN(c5ccccc5)C(=O)C3)C4)ccc2N1 1797979342 UOERWTVHXSXTGV-FNLKRUPLSA-N 471.517 2.226 10 20 JECD C[C@H](Oc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799767978 HMPCRHSDUZYXEX-NTNQKNOYSA-N 460.914 2.422 10 20 JECD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccccc1 1802098013 GZAFKYQMLSWTFL-ZLWLXJDCSA-N 460.534 2.173 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1803041701 JQKPTZIQQSTHOD-IMWIHDJQSA-N 453.495 2.317 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1803041702 JQKPTZIQQSTHOD-OUVYDVBVSA-N 453.495 2.317 10 20 JECD COc1ncc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1C 1806097903 CTYGSFULWQFVTC-HRAATJIYSA-N 463.494 2.233 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)[C@H]1CCCO1 1807690846 RHZRKELOKLXFBO-QTGUNEKASA-N 461.522 2.059 10 20 JECD CN1CCCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808463564 DAYSRQSZUIJHAR-XRODADMRSA-N 488.592 2.365 10 20 JECD O=C(/C=C1\C(=O)Nc2ccccc21)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810186338 BKMZKEOEGASUMS-KZNXYACJSA-N 485.500 2.243 10 20 JECD C[C@H](O)C(=O)N1CCC2(CCCN(C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)CC1 1810801083 POGRUYYNAIPNLW-GHTZIAJQSA-N 488.629 2.317 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)ncn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811796805 LLMWSRTZZPBKOG-DJJJIMSYSA-N 469.885 2.275 10 20 JECD COCCOCC(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811804330 VOHBCIWNFKCIDS-FOIQADDNSA-N 463.918 2.129 10 20 JECD CCOC(=O)C1(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)CC1 1812468859 LEBZGZFKXUNCOA-GLCUETTDSA-N 495.532 2.261 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)n1cccc1C=O 1815382527 HOYASDHBBGLGDF-YPMHNXCESA-N 455.496 2.050 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1cncnc1 1816511059 NUDFUIZGVSDRNS-BIENSFFJSA-N 450.455 2.336 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3[nH]ncc13)CC2)c1cc(O)nc(O)c1 1816724744 FTYOWWBMLQUTKM-LLVKDONJSA-N 450.480 2.365 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnsn1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817364814 ZVWCWJILFGYXJJ-NSHDSACASA-N 467.536 2.013 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCOC2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147627 AVRYWNWQFKNFPO-BEFAXECRSA-N 450.499 2.231 10 20 JECD Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)o1 1822910376 AHUVHUKQWXOYMP-OAHLLOKOSA-N 461.569 2.406 10 20 JECD Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)n1 1825852225 GWGGRQSPDXTVFO-SFHVURJKSA-N 460.625 2.484 10 20 JECD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)n1cccc1C=O 1827073991 XVIMLTNWYRYBTM-APWZRJJASA-N 490.651 2.342 10 20 JECD CN(CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)C(=O)c1ccccc1 1827423748 FHFQVQHPZNWQPY-NRFANRHFSA-N 480.565 2.498 10 20 JECD O=C(Cc1cnccn1)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714474 AYXHUOWCUJQUGT-QHCPKHFHSA-N 474.565 2.432 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)C(Cl)(Cl)Cl)CC2 1828247550 YGEQELGXRNBINP-ZCFIWIBFSA-N 487.843 2.286 10 20 JECD CCNC(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876268 GUTALCTYNIFHQD-MXFAVLBMSA-N 488.585 2.144 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)Cc3c(F)cccc3F)CC2)CC1)c1cc(O)nc(O)c1 1834988905 RDBMTITYTDKOMY-UHFFFAOYSA-N 474.508 2.199 10 20 JECD CC(C)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)CCC1 1840615333 HNJXRLCMHVEUJN-SXBBHYFQSA-N 474.554 2.099 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 1841859041 NGWRKLODCXCFNV-HNNXBMFYSA-N 461.946 2.359 10 20 JECD COc1cccnc1CCC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847033818 GSDUFZSVRAUASK-RMKNXTFCSA-N 453.495 2.056 10 20 JECD CN(C)c1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)cc1 18215332 HQOKYCMXHZFSDX-UHFFFAOYSA-N 466.523 2.465 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 18475175 CHBPMXFWFKQWOD-UHFFFAOYSA-N 464.544 2.387 10 20 JECD O=C(CSc1n[nH]c(=O)n1C[C@H]1CCCO1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 104603151 OGHDPRJPFXLSNE-CQSZACIVSA-N 464.503 2.257 10 20 JECD COc1ccc(CCC(=O)N2CCCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)cc1 116616020 XGPQKLZMOLMHFT-UHFFFAOYSA-N 475.567 2.080 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NC[C@@H](c3cccc(F)c3)N3CCOCC3)CC2)cc1 726244889 JUUQUSZZWFWEAO-VWLOTQADSA-N 485.604 2.329 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(CN4CCOC4=O)cc3)CC2)cc1 726728098 MUFHXQPCULLAOR-UHFFFAOYSA-N 452.511 2.371 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc(-n4cnnn4)c3)n2)s1 727246538 MNOWFUYPZMVUDY-UHFFFAOYSA-N 461.554 2.284 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(CN4CCC(O)CC4)cc3)cc2)C1 729600026 UVIJXXBMMYWBSJ-HSZRJFAPSA-N 479.625 2.344 10 20 JECD CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 744290025 VXNBNUTVJGLDIW-SJORKVTESA-N 457.554 2.045 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCc2ccc3c(c2)CCCN3C)cc1 746889434 NHVBRDLTUSINQP-UHFFFAOYSA-N 472.611 2.146 10 20 JECD CN1CCCc2cc(CNC(=O)NCCNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc21 746980967 DFGQZRPHKOQLJP-UHFFFAOYSA-N 461.544 2.292 10 20 JECD COc1ccc(N2CCCN(C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)CC2)cc1 748465730 RJDFIRHTMHKDEK-UHFFFAOYSA-N 466.586 2.051 10 20 JECD CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 834817071 HQIQIYUUTGFGPQ-SFHVURJKSA-N 489.594 2.278 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)c2C)cc1C 914656561 UOIDHPJUWQNRAF-FPOVZHCZSA-N 486.590 2.472 10 20 JECD COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 915743639 JTORNKJMJFUXTO-UHFFFAOYSA-N 488.972 2.402 10 20 JECD Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C(=O)N1CCCC1 918284670 NFRKTHXLYCUJGU-UHFFFAOYSA-N 468.529 2.462 10 20 JECD COC(=O)COc1ccc(NC(=O)C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c(C)c1 918461650 KDSWBRPCRHZAML-UHFFFAOYSA-N 455.511 2.233 10 20 JECD CCOc1cc2c(cc1NC(=O)C(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)O[C@H](C)C2 918463946 PUNRBHPHLWOTOH-AEFFLSMTSA-N 480.565 2.365 10 20 JECD O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 920092179 LUJOPPBLWVGNHF-HXUWFJFHSA-N 482.516 2.380 10 20 JECD CC(C)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)CC1 1785547396 ZCQDCUHFOZIGMK-DRSNIGMVSA-N 467.657 2.139 10 20 JECD C[C@@H]1CCc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C[C@@H]43)n[nH]c21 1787952676 DHOJQZVVOWMDEN-XHUUTOEUSA-N 474.945 2.431 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)[C@H]1CCc2ccccc21 1791386302 DFDFIVYEGASWQM-KNKUVARMSA-N 486.572 2.489 10 20 JECD Cc1cc(Cl)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)c1 1792245443 RSIHMMVUKPZRJK-JQFCIGGWSA-N 482.027 2.102 10 20 JECD O=C(Cc1ccc2ncccc2c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1793619421 LGSZLNXKYPQNGI-AGPMEKIXSA-N 497.555 2.160 10 20 JECD Cc1nn(-c2ccccc2)c(O)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796599001 VLLPZKSTJZBWAF-VBUUOAMHSA-N 463.494 2.258 10 20 JECD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(C)n1 1801232317 GSHYORKHGJHUGH-XHQGLMHISA-N 481.549 2.051 10 20 JECD O=C(Cc1[nH]nc2c(Cl)cccc12)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804336129 XUQCQPOMTQLWAN-CLLJXQQHSA-N 492.026 2.257 10 20 JECD COc1cc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c(C)c1 1804336163 ZAKHRDDMUDLDRR-MUJYYYPQSA-N 461.609 2.424 10 20 JECD Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cn1 1804483134 WCUFGSOLZQXNRB-WMZHIEFXSA-N 497.646 2.284 10 20 JECD O=C(O)c1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)ncn1 1804968806 OGYGVCKXPYQQJE-DJJJIMSYSA-N 497.895 2.268 10 20 JECD Cc1c(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cnn1C 1805932307 HRNRHMZTOJDDTL-AEVOMHCASA-N 477.521 2.273 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cnc2ccccn12 1809217105 JNTXCLMSONVFSW-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811806324 KGPLPUBWJQJJQK-OXQOHEQNSA-N 468.897 2.413 10 20 JECD Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1O 1814190359 YHHLTKWSDIZRAS-DYESRHJHSA-N 484.603 2.276 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)CCc2cccc(O)c2)[C@@H]1c1cccnc1 1814191184 IKOCXFSDVGXHFB-FDDCHVKYSA-N 498.630 2.286 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3nc[nH]c3[N+](=O)[O-])sc2C1)c1cc(O)c(O)c(Cl)c1 1817202975 MKBWQVXVONGNBN-QMMMGPOBSA-N 478.874 2.379 10 20 JECD CC[C@@H](NC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1817462758 HYQYHDWDTOOUTE-APWZRJJASA-N 451.531 2.193 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2COc3ccccc3O2)[nH]n1)c1cc(O)nc(O)c1 1817843266 KEOJOWSPDORUFF-MAUKXSAKSA-N 465.466 2.362 10 20 JECD CCC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818147710 FHXPMLBYVJOJIE-WIYYLYMNSA-N 493.568 2.500 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)c3cnc4ncccn34)sc2C1 1818440853 IZOMMRUVBDBNSW-MXPWBENCSA-N 492.517 2.242 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1822164771 PSYVXVCMKXGKKX-DZQNVJDRSA-N 488.504 2.432 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cscn2)[nH]n1 1823496327 LHUAVBBTAHSCAR-LBPRGKRZSA-N 450.571 2.032 10 20 JECD O=C(c1ccc2nncn2c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428123 IWMKFEYDEGEEQM-SFHVURJKSA-N 450.499 2.083 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1nc3ccccc3o1)CC2 1828246899 HZFXYQPDDQWEQV-JTQLQIEISA-N 487.588 2.370 10 20 JECD O=C(O)c1cnncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877358 YHEIJPHNVDVXCT-WSSFADSRSA-N 496.520 2.238 10 20 JECD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)cc1C 1838943138 KVTZEFPNERRVQL-MHZLTWQESA-N 490.560 2.166 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)cc1 1839348467 CAKZGFNGJRIVNM-MHZLTWQESA-N 490.560 2.111 10 20 JECD COc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843440962 VKKGHZQZHWYIDY-UHFFFAOYSA-N 462.506 2.070 10 20 JECD CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 729049164 GUBLZUFMKZOYHB-RTBURBONSA-N 463.598 2.135 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3sc4nc5n(c(=O)c4c3C)CCC5)CC2)cc1 742927271 LNSSDTILBYIOFG-UHFFFAOYSA-N 467.595 2.273 10 20 JECD Cc1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)cnn1C 1781121208 JYJRCOABVANBDU-XMSQKQJNSA-N 462.934 2.234 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)[C@]3(F)CCCC=C3F)C2)C1 1785703031 UDXBMTRQVSPPMW-BERBRYSFSA-N 464.465 2.392 10 20 JECD CN1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1793828161 OAHCGNFEAPFFHK-TWWGPRNNSA-N 485.968 2.011 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)C1CCC2(CC1)OCCO2 1804289747 ROLBQJIEBGKSFN-XWXKOERESA-N 472.538 2.388 10 20 JECD O=C(Cc1cccnc1Cl)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804360524 FWPMIAZRAVRFLL-IERDGZPVSA-N 467.913 2.499 10 20 JECD N=C(N)SCCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1807130274 XKAPFENSUBTNPB-FZKQIMNGSA-N 477.974 2.483 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(Cl)cc3nn[nH]c23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995030 MKJLQIXFMSYUCY-ASSNKEHSSA-N 493.911 2.446 10 20 JECD CC(C)NCCC(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808467553 HUBMJBBICMGVAU-CPJSRVTESA-N 476.581 2.268 10 20 JECD Cc1noc(N)c1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808467653 JDVHJPCDSFTIRV-VGSWGCGISA-N 487.520 2.073 10 20 JECD COCCCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814161901 MXCKCWMAMNHVOH-AVUHJFIJSA-N 455.511 2.344 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)CCCc2ccncc2)[C@@H]1c1cccnc1 1814184921 GYYZYYOBMSGLTI-AUSIDOKSSA-N 497.646 2.366 10 20 JECD CC(C)N[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)C(C)C 1817453284 CNADXJLNDHGDPY-DNVCBOLYSA-N 480.660 2.285 10 20 JECD CCN(CC)C[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1821683069 RXVSPAJEXZSHBC-GDBMZVCRSA-N 480.660 2.240 10 20 JECD O=C(O)CSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878237 GSGLMYNJOXAEBZ-UABRLCRWSA-N 478.567 2.254 10 20 JECD Cc1nc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)o1 1832902083 XNKPMQZEBKBYCI-INIZCTEOSA-N 464.613 2.385 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)CCC1CCCC1)CCO2 1834673818 NWWKLUWFUFCVRX-HJKZNEBBSA-N 474.554 2.243 10 20 JECD Cc1ccc(O)c(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1836248944 PCROVMSMBOYEKW-UHFFFAOYSA-N 454.527 2.006 10 20 JECD C[C@@H]1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1836758089 GDGDQTFEUQQXKN-YGHRGLEHSA-N 452.935 2.257 10 20 JECD Cc1ccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1 1840881245 KHEYDZBBQAUCHQ-HSDHKRTLSA-N 496.560 2.214 10 20 JECD O=C(c1cc(Br)cc2cn[nH]c12)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250098 LEGVUQGDDGFGEI-UHFFFAOYSA-N 472.299 2.262 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846949358 USMNCNVBTULZFY-DLBZAZTESA-N 474.558 2.393 10 20 JECD CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 23512794 YUFWPXYROLKIAR-UHFFFAOYSA-N 489.594 2.231 10 20 JECD C[C@H](NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)c1ccc(N2CCOCC2)cc1 727617267 KOMOZFDYTIIUHT-ZDUSSCGKSA-N 467.494 2.021 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1C(=O)O 728015927 ZNYUVRFLOMBFAQ-UHFFFAOYSA-N 455.333 2.381 10 20 JECD CS(=O)(=O)c1ccc(OCCCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 743633086 UILSKIAMSXNZOD-IBGZPJMESA-N 473.595 2.267 10 20 JECD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCc3ccc4c(c3)CCCN4C)CC2)c1 746814566 PVGYLAIKJMXJLJ-UHFFFAOYSA-N 456.612 2.146 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1)c1ccc(N2CCOCC2)cc1 749034040 RHTZXBPMBQERNG-GOSISDBHSA-N 479.581 2.041 10 20 JECD CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C1 917191846 ZZSVMEANBQCKPW-OAHLLOKOSA-N 492.510 2.452 10 20 JECD CN(C)C(=O)CN(CC(F)(F)F)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 917684419 UDKSYQBXCGRIMK-UHFFFAOYSA-N 463.368 2.463 10 20 JECD COc1cccc(C[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n2nnnc2C)c1 917708077 FRDAKFBGEIENPQ-JOCHJYFZSA-N 454.506 2.066 10 20 JECD CCCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 918463241 JXGQYKNVBIZRDT-LJQANCHMSA-N 466.538 2.210 10 20 JECD O=C(COC(=O)Cc1cc2ccccc2nc1O)NCc1ccc(N2CCOCC2)c(F)c1 919159752 JCNFIOYQNLBRJZ-UHFFFAOYSA-N 453.470 2.318 10 20 JECD O=C(CNC(=O)c1ccc(F)c(F)c1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919761891 SCDQTPPLWAYVPY-UHFFFAOYSA-N 484.482 2.267 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 920188526 HYRKRZJDSBAGEM-UHFFFAOYSA-N 495.599 2.449 10 20 JECD COc1ccc(N2CCN(C(=O)CNc3cccc(C(=O)N4CCOCC4)c3C)CC2)cc1 920402668 VVICHRXHVNKUOQ-UHFFFAOYSA-N 452.555 2.237 10 20 JECD CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 920637550 JEUMOAJBHTYKLJ-CQSZACIVSA-N 477.539 2.430 10 20 JECD CC(C)CN1C(=O)/C(=C\Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C(=O)NC1=S 920978613 MVAZGSKEZHZXPJ-PDGQHHTCSA-N 464.613 2.302 10 20 JECD Cc1cccn2ncc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)c12 1782521185 JQKPHDMGYGETCA-QHCPKHFHSA-N 470.913 2.465 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)nc1C 1787537329 OOBWVJYETPYNHN-LEDOBFOHSA-N 475.549 2.085 10 20 JECD CC(C)n1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)c(C(F)(F)F)c1 1796137473 ITZFKJXMWBCJPE-HBCWATKFSA-N 482.459 2.411 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1CC1)C2 1796307404 HRVYHRNKBHYRMV-MHXAIHSWSA-N 486.613 2.094 10 20 JECD Cn1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)cc2c[nH]c3nccc-3c21 1796601513 RYDWCKCPPXPQNP-MUJYYYPQSA-N 460.494 2.378 10 20 JECD C[C@@H]1CCc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)n[nH]c21 1796974390 XXWLTOHDZIKJSE-LHAXHYPGSA-N 460.918 2.041 10 20 JECD COc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c(F)c1 1797864381 HVTFTIRRJDAZCP-MUJYYYPQSA-N 479.599 2.265 10 20 JECD O=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)=Cc2ccccc2N1 1799768876 FHMHZNOWLRVEFH-FAQVEIGNSA-N 497.935 2.380 10 20 JECD COc1ccc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CN3C(=O)CSC3=S)[nH]c2c1 1804333100 DSUARYYNKZYWCE-QDMKHBRRSA-N 472.592 2.289 10 20 JECD COc1ccc([C@@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1 1804334599 TVPPXACDLVPOLN-MXASKKJJSA-N 461.609 2.297 10 20 JECD Cn1c(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc2ccccc21 1804334826 XDJCNKNNYGZFKO-BJWYYQGGSA-N 470.620 2.219 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1ccno1 1805624114 OEGAPFMMVYCYOJ-JTSKRJEESA-N 458.478 2.182 10 20 JECD N=C(N)SCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1807130276 XKAPFENSUBTNPB-SCLBCKFNSA-N 477.974 2.483 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1noc2c1CCCC2 1808031254 OBTQEZCBODFLEV-YCRPNKLZSA-N 499.618 2.128 10 20 JECD CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808467253 DNBYCCJNMRJMEG-PZVOEZMOSA-N 476.581 2.254 10 20 JECD Cc1cnn(CC(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)c1 1808468392 QEJHVZWSXYHAPC-CJFMBICVSA-N 485.548 2.085 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1n[nH]c2ccccc12 1809828154 OJUGWGLZPRPCGO-NYHFZMIOSA-N 458.478 2.398 10 20 JECD Cn1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)n1 1811803226 GKAPQPWXSJUPGH-VFNWGFHPSA-N 469.929 2.442 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cncnc2)[C@@H]1c1cccnc1 1814162643 OUVZTNMJWRZRRS-NWWLCNQNSA-N 461.478 2.021 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814190019 OHXAQBVSSXBKQW-RADWXHQJSA-N 498.630 2.415 10 20 JECD C[C@@H](CS(C)(=O)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1815231137 KEIKDEGSQVYYOI-XHDPSFHLSA-N 484.962 2.461 10 20 JECD COc1cnc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)c(F)c1 1816210752 NOKMEVSXRUTSND-HNNXBMFYSA-N 456.434 2.378 10 20 JECD Cn1ccc2c(O)ncc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)c21 1820092322 YFDZFPUPMDPGOI-INIZCTEOSA-N 477.481 2.428 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1821741140 WRXLWSGQYWOQHL-GFCCVEGCSA-N 493.505 2.398 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])CC1 1827645737 IRZSZDBIGGWUSR-IBGZPJMESA-N 493.524 2.344 10 20 JECD COC[C@@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830739461 JDCGWHYPHGPXEJ-RTBURBONSA-N 481.977 2.136 10 20 JECD O=C(CSC1CCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1831362934 OCYYKUCJYSHQIF-QFIPXVFZSA-N 485.002 2.497 10 20 JECD Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c(O)n1 1832900261 GTGXANKODHECRH-QGZVFWFLSA-N 476.624 2.189 10 20 JECD N[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cccc(Cl)c1 1834986915 JFKFZTBUHIHJIU-QFIPXVFZSA-N 487.988 2.031 10 20 JECD Cc1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1838900024 FQPSIDJLDLZVRC-QHCPKHFHSA-N 460.914 2.443 10 20 JECD Cc1nc2sccn2c1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441780 PQGIRZWQQKPIMT-UHFFFAOYSA-N 462.535 2.314 10 20 JECD O=C([C@@H]1ON=C(c2ccccc2)O1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501497 WNPPSPBRBQRHEX-NRFANRHFSA-N 457.870 2.303 10 20 JECD Cc1cc(C(=O)COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 726660941 HZGNZNLPQDFQEU-UHFFFAOYSA-N 489.510 2.007 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)CC2)cc1 742919753 KGRDDJQBHMJMGG-HSZRJFAPSA-N 464.610 2.415 10 20 JECD CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 746393271 PSOUMFWNBXRHBO-NRFANRHFSA-N 454.571 2.055 10 20 JECD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)C2)cc1 919754432 RQEPGOVMMFHAQD-VXKWHMMOSA-N 498.649 2.414 10 20 JECD CCC(=O)N1CCCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 920458795 SPPUCUOUEXSUBQ-UHFFFAOYSA-N 476.511 2.186 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc3cc(Cl)ccn13)C2)c1cc(O)nc(O)c1 1777848323 QDUJMBBNVZDXON-UZUQRXQVSA-N 485.928 2.235 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1ccc3cnccc3n1)CCO2 1782005541 MFKUQTNILHHZSA-QHCPKHFHSA-N 468.897 2.452 10 20 JECD O=C(C[C@@H]1CNc2ccccc2O1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007300 OWWBDYCJRPOFBP-VOIUYBSRSA-N 487.940 2.458 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)c1ccccc1)CCO2 1785503934 UNZMQUYJHGFBFV-QMNIYLKUSA-N 456.470 2.357 10 20 JECD COc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1785508198 AEASWMDSLAAIAD-KDZJVGDTSA-N 482.533 2.288 10 20 JECD O=C(CCc1cc(F)ccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1794027377 GWRRJDLSGYMBNL-VTEUUUEMSA-N 463.893 2.121 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccoc1C(F)(F)F 1797020257 RRVKXHSVAILUIB-JGPRNRPPSA-N 461.487 2.411 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-n2ccnc2)ccn1 1799461836 VEKHXNOSGRNENR-XBMZCVMLSA-N 475.505 2.349 10 20 JECD C[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CC1 1801505139 WDNROHNUSAGJMC-MXVJPWMRSA-N 452.555 2.195 10 20 JECD CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)N(CC)CC 1803699964 SGSMPAIUNDFUIE-LRXVAGHRSA-N 455.559 2.328 10 20 JECD CN1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1803943255 GEEKCGPNOKCTKO-LQFPLNRMSA-N 466.538 2.012 10 20 JECD C[C@](O)(C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)C(F)(F)F 1803999935 YUMGBGMQDUJNEV-KYCOLUHFSA-N 495.454 2.231 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)[S@@](=O)c1ccccc1 1808001221 RUEBSIQOVNQZKM-JGNSYJNKSA-N 494.573 2.404 10 20 JECD C[C@]1(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)CCCN1 1808098954 AXJOLNCHWHELBT-HPVKENARSA-N 466.538 2.060 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)COc2cccnc2)[C@H]1c1cccnc1 1814161525 HOOCGJWXSLTKBD-MOQNJDDVSA-N 490.516 2.392 10 20 JECD Cc1cnc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cn1 1814161701 BDYHCLMGNWVCOR-NTPDFONASA-N 475.505 2.330 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814188833 BJCBYJRQWXOVBD-NRJQMVOHSA-N 497.646 2.448 10 20 JECD Cc1ccc(O)c(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1814189913 KPQYUAIDVFTUDA-IIBYNOLFSA-N 484.603 2.276 10 20 JECD O=C(COc1ccc(O)cc1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1814692580 PAHCQOMBCUESKK-MRXNPFEDSA-N 489.579 2.047 10 20 JECD O=C(Cn1cccn1)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1817627027 BSUXDHMNUXNXJQ-IBGZPJMESA-N 460.498 2.091 10 20 JECD Cn1nc2c(c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c3cc(O)nc(O)c3)n[nH]1)CCC2 1817846842 DKRZRSLJLDBPCJ-INIZCTEOSA-N 451.487 2.058 10 20 JECD O=C(CS[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1819869612 UFQUOADBGZBTGT-KPZWWZAWSA-N 464.569 2.435 10 20 JECD CN1CCC[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476366 AJCRZXUNWNQTSA-LHWQUMODSA-N 455.515 2.326 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)C(Cl)(Cl)Cl)sc2C1 1825345188 IDDJVIYHNUKAAB-LURJTMIESA-N 487.843 2.286 10 20 JECD COC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1829119484 XJOSRNIHLJGLCP-RBUKOAKNSA-N 481.977 2.136 10 20 JECD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1)n1cnnn1 1830740530 KQCPYKYJDTXZTO-GUYCJALGSA-N 462.938 2.232 10 20 JECD Cn1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c(C(F)F)n1 1832902679 QVZIZNZZIAAUDN-OAHLLOKOSA-N 499.609 2.451 10 20 JECD Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)cn1 1833866737 WXVFTZHKIZFQOO-FNORWQNLSA-N 494.592 2.334 10 20 JECD C[C@H]1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)N1C(=O)OC(C)(C)C 1843248936 VRCGWGWAJHVLPF-HOCLYGCPSA-N 460.531 2.098 10 20 JECD Nc1c(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)ccc2c1C(=O)c1ccccc1C2=O 727179867 SVYKHPUUBZAEDT-UHFFFAOYSA-N 461.455 2.223 10 20 JECD COc1ccc(N2CCN(C(=O)Cn3c(=O)c4c(ncn4CC(C)C)n(CC(C)C)c3=O)CC2)cc1 727465262 YDMHFYMRFHEWJN-UHFFFAOYSA-N 496.612 2.029 10 20 JECD Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C)n1-c1ccc(Br)cc1 728698283 MZPWQOUYHDVJHK-WOJBJXKFSA-N 496.427 2.084 10 20 JECD NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)c1 728835947 PNPXGKPMYBSAHN-UHFFFAOYSA-N 471.517 2.483 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCCN1CCN(c2ncccn2)CC1 729233396 OWBQERCSIRDELW-UHFFFAOYSA-N 467.618 2.057 10 20 JECD CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 744377177 LHBXBTBBFKQVKM-OLZOCXBDSA-N 464.500 2.134 10 20 JECD Cc1cc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc(S(=O)(=O)N(C)C)c1C 749738953 SXSBKAAAHMIHEN-UHFFFAOYSA-N 461.584 2.435 10 20 JECD O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 916588234 OHOIQXCBCVBMHS-UHFFFAOYSA-N 473.555 2.411 10 20 JECD CCS(=O)(=O)N1CCC[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 919649603 BZARCFXKTGJMIS-JKSUJKDBSA-N 498.557 2.394 10 20 JECD C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(N2CCOCC2)cc1 920873223 PBWCJVSSKFKCMR-LJQANCHMSA-N 487.626 2.342 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3ncccc3C(F)(F)F)C2)C1 1779714301 RALAODJTOHIFJF-LHXJMTLCSA-N 493.438 2.374 10 20 JECD CSc1cccc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1O 1780149388 OBLSXXYOOHONPJ-RUZDIDTESA-N 494.573 2.351 10 20 JECD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)cc(C)c1C(=O)O 1781193807 XCAJJJGDIRZRAA-IQGLISFBSA-N 483.521 2.249 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3ccccc13)CCO2 1782005515 KXOWTQLIYFBNOI-QFIPXVFZSA-N 456.886 2.385 10 20 JECD O=C(c1ccn2nccc2c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007032 GYRJSIUNEFMXBQ-JOCHJYFZSA-N 456.886 2.156 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1 1782007372 DSUGQSNEORPPBJ-XMMPIXPASA-N 497.939 2.398 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@]2(F)CCCC=C2F)C1 1783333039 CVPCDRVSYDYICA-LPTQZCDUSA-N 487.594 2.106 10 20 JECD CO[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1)c1ccccc1 1787539128 RQGJLAYFSIOBMQ-OKQJERNYSA-N 490.560 2.147 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nccn4c3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245020 MTXAMSOLYYGREK-QOKNQOGYSA-N 470.913 2.306 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCCC1(F)F)C2)C1=NN(c2ccccc2)C(=O)C1 1796480508 KXLRQKJLBVBNQA-HPNQWNLUSA-N 474.508 2.194 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)sc1Cl)C2 1802105246 IENKXJWMLFEELV-ICCCGROCSA-N 494.447 2.118 10 20 JECD CNc1nsnc1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1802477119 NHMDWFYTAYEUAF-ZPASTWNFSA-N 496.549 2.125 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cccn3cncc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995185 DTSWJDMXEBFQJT-OPAMFIHVSA-N 458.478 2.169 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1807998237 BJJFIMABXYHQJR-KOSHJBKYSA-N 499.531 2.410 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc2c[nH]nc2c1 1808050191 GQJYDMNGZMQCCG-JTSKRJEESA-N 458.478 2.398 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)C1 1809506916 VHUHKHADJRXQOG-IERDGZPVSA-N 497.552 2.074 10 20 JECD CCc1cnc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)s1 1810558819 GZHBWUNLGDOUBA-RDTXWAMCSA-N 489.648 2.280 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1[nH]cnc1-c1cccnc1 1811330421 YDEZJKOUFCMSPD-HXOBKFHXSA-N 485.504 2.306 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811806424 MPFSIKDTIKVWDI-KPZWWZAWSA-N 486.872 2.411 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccc(-n2cncn2)c1 1811822358 FESWVYBBLRUUPG-MBSDFSHPSA-N 485.504 2.102 10 20 JECD C[C@H](Cn1cccn1)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162608 NYWDXFNRYUDYRV-LLGWGGQPSA-N 491.548 2.450 10 20 JECD C[C@](O)(C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)C(F)(F)F 1814162680 VECBVQLVNRSHLD-BSBQXMDQSA-N 495.454 2.231 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1cnccn1 1816361605 RXAWZZKCWOTPQG-LJQANCHMSA-N 458.482 2.299 10 20 JECD O=C(C[C@H]1CNc2ccccc2O1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816725867 NAAVJNGCYGQPAA-KGLIPLIRSA-N 481.534 2.438 10 20 JECD COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)c(O)c1 1821967564 PYKKWKIBWOIXKM-NSHDSACASA-N 456.480 2.203 10 20 JECD CCN(CC)C[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823499816 ZGOPATBRVMUMPA-GDBMZVCRSA-N 480.660 2.240 10 20 JECD O=C(O)CSCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823713162 FHNMYIJGWWFVJC-VIFPVBQESA-N 471.944 2.251 10 20 JECD Cc1c(F)ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c1N 1828242434 HVBSRELLOPPMDJ-SNVBAGLBSA-N 493.611 2.259 10 20 JECD Cc1nnc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)s1 1832896370 FQDWLFYWLWNLCE-INIZCTEOSA-N 495.696 2.259 10 20 JECD O=C(c1cnc2ccccn12)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902385 LAMJZDVLFAIDAD-QGZVFWFLSA-N 485.635 2.428 10 20 JECD O=C(c1cccn2ccnc12)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902712 RFMAJGBHYHHOMA-SFHVURJKSA-N 485.635 2.428 10 20 JECD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)o1 1836027078 ZVKLNGUCMMJXCC-SANMLTNESA-N 493.564 2.098 10 20 JECD O=C(/C=C/c1ccoc1)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1837108536 DELKVAZNPHAMTP-OWOJBTEDSA-N 477.608 2.152 10 20 JECD Cn1ccc(=O)cc1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1838530643 JAXIEAFRALNXES-UHFFFAOYSA-N 489.956 2.376 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC(OC2CCN(C(=O)Cc3ccncc3)CC2)CC1 1838616006 IVEXSUPPQLVHOC-DUXPYHPUSA-N 481.549 2.453 10 20 JECD COc1ccccc1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432935 AGJIJNFWTKRUME-DEOSSOPVSA-N 490.940 2.073 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1839433491 JTABFHPBFMLUEM-HSZRJFAPSA-N 486.912 2.011 10 20 JECD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc1C 1840881408 SUVYRMLKZQVRHD-AQBQYSGMSA-N 482.533 2.204 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CC1 1843249438 JHHYEBLCEWLOMF-MRXNPFEDSA-N 474.558 2.347 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ccc(-n3cccn3)cc2)C1 1845384397 UOCKRURPMNTCBW-UHFFFAOYSA-N 468.517 2.482 10 20 JECD C[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)cc1 115948917 NLCIDPPIWDCZLE-KRWDZBQOSA-N 460.552 2.336 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCN([C@H]2CCC[C@H]2O)CC1 728746238 RQDLAVPIMOGJDN-VQTJNVASSA-N 456.509 2.283 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 728979606 JFLVFVVOSSKQTN-HNNXBMFYSA-N 489.550 2.361 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1 729062622 SUCOPGFEJQGNHN-XHSDSOJGSA-N 455.511 2.466 10 20 JECD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 731131968 PUDZWBQEMFNCNX-UHFFFAOYSA-N 480.565 2.010 10 20 JECD CN1CCCc2cc(CNC(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)ccc21 746718900 WODRTCKBBAAQMC-UHFFFAOYSA-N 472.611 2.230 10 20 JECD COc1ccc(N2CCN(C(=O)c3ccc4c(c3)SC3=NS(=O)(=O)CCN34)CC2)cc1 872062989 RZEKPPROQGXABZ-UHFFFAOYSA-N 458.565 2.269 10 20 JECD CC(C)(C)C(=O)N1CCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 914493500 ZQIUENYWUYYKSG-UHFFFAOYSA-N 490.538 2.432 10 20 JECD Cc1cc(C)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(C)c1NS(C)(=O)=O 917732101 MLEZWOXINVLZBF-UHFFFAOYSA-N 461.587 2.156 10 20 JECD CCc1ccc(C(=O)N2CCN(C(=O)/C=C/C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2)cc1 920254821 PAIDSTMCZFOWCW-OUKQBFOZSA-N 490.604 2.447 10 20 JECD Cc1cc(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1Br 920291016 SVEORWGEBCCCKY-OAHLLOKOSA-N 482.400 2.232 10 20 JECD CC(C)CN1C(=O)/C(=C/Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C(=O)NC1=S 920974443 LPVOAZKPDGFKHI-SFQUDFHCSA-N 450.586 2.056 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1)C2)c1cc(O)nc(O)c1 1777850481 FCSINGPMGWGZBV-XZWCOCNFSA-N 451.523 2.424 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cnnc3ccccc13)CCO2 1782005718 XNJBQYQICRTQKQ-HSZRJFAPSA-N 468.897 2.452 10 20 JECD Cc1nccn1CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009259 VFNXQFOFKRZREP-JOCHJYFZSA-N 462.934 2.180 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3nc4ccccc4o3)C2)C1 1782233292 LJHLBTFSEZLDPO-RUZDIDTESA-N 473.489 2.064 10 20 JECD COc1cccc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1F 1785301495 GBQWTWLGUXVONF-YFTVHVBSSA-N 472.469 2.108 10 20 JECD O=C(/C=C/c1cc2ccccc2o1)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785540692 NJHASWGGUXMYOH-AWUSRGSFSA-N 485.587 2.136 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4scnc4c3)C[C@@H]21)c1cc(O)nc(O)c1 1787293877 UAZHIJZUJJLSSP-QRTARXTBSA-N 454.508 2.010 10 20 JECD N[C@@H](C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1)c1ccccn1 1788043727 KETKMMRACKWOTK-LJQANCHMSA-N 469.592 2.076 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nnc2ccccc21)c1cc(O)c(O)c(Cl)c1 1793956828 CXYYANRXGKSCKL-QDMKHBRRSA-N 455.902 2.448 10 20 JECD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2)C(=O)OC(C)(C)C 1795766715 MWTCNMOUXOTLKF-GGPHIMKMSA-N 483.569 2.284 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccc(Cl)cc3)CCC1)C2)c1cc(O)nc(O)c1 1796140936 KIIHQUTUYXMISX-VPTLXERWSA-N 471.941 2.471 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccoc1I)c1cc(O)nc(O)c1 1796395219 QHZCTROQMBVAOR-ZSBIGDGJSA-N 483.262 2.256 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1csc(-c2ccccc2)n1 1796695237 MBYQNVMIKKNTPU-CWPLJXCYSA-N 466.519 2.133 10 20 JECD Cn1cnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)c1 1796748613 BGSLBRWBWJWROW-PLACYPQZSA-N 496.612 2.390 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)C1=NN(c2ccccc2)C(=O)C1 1796934318 HRODHUKWXYOOIS-ZHPFXUNLSA-N 498.543 2.210 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3ncccc13)C2)c1cc(O)c(O)c(Cl)c1 1799768069 ISCXTYKKMXUCSJ-IVWMJMPLSA-N 456.886 2.145 10 20 JECD Cn1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)c(C(F)F)n1 1804286497 RRAASLJWVJEAQY-JDGWPXKUSA-N 462.453 2.440 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CNc2ccc(F)cc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995450 YWSYLNKLZBMHFJ-MWTRTKDXSA-N 465.485 2.459 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810281841 HHTQQNWYBMXAQW-HXOBKFHXSA-N 489.532 2.237 10 20 JECD COc1ccc([C@H](O)C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)cc1 1810549346 MRZVQVBFZHGARE-NRFANRHFSA-N 455.511 2.080 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cnoc2)[C@@H]1c1cccnc1 1814163546 HGBAWXBJLDRCRH-CVTZPFNJSA-N 450.451 2.219 10 20 JECD CCOC(=O)N1CCC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)CC1 1817848610 SFQOYSRNUIGMQB-KRWDZBQOSA-N 486.529 2.390 10 20 JECD COc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)nn1 1818147111 REKKHVLYLDUYIC-IBGZPJMESA-N 488.508 2.307 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccn3cncc3c2)[nH]n1 1823499962 HRFKDLLSJMJVTM-INIZCTEOSA-N 483.579 2.224 10 20 JECD CC1=C(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CCO1 1827288346 KRSDDEVSKLZJAG-KRWDZBQOSA-N 451.614 2.161 10 20 JECD O=C(c1ccc[n+]([O-])c1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715585 WGMJSZQGYGHKBA-HSZRJFAPSA-N 475.549 2.346 10 20 JECD COCCn1nccc1C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828198431 CWBPFUMTNRHDOP-UFZAZABTSA-N 499.549 2.042 10 20 JECD Cc1cc(C)n2ncc(C(=O)N3CCC(OC4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)c2n1 1838031492 HXBWEVYUAQJUEQ-UHFFFAOYSA-N 494.552 2.078 10 20 JECD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)sc1C 1838411079 VMKATIJRFGFWCO-NRFANRHFSA-N 481.958 2.208 10 20 JECD COc1ccc(CCC(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cn1 1841933753 IQEHDSWFGURNGE-UXBLZVDNSA-N 453.495 2.056 10 20 JECD COCCCC(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251780 WLORHOMEIQJYQY-GOSISDBHSA-N 491.585 2.164 10 20 JECD Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CSc2ncc(-c3ccccc3)n2C)CC1 10197386 LZJFVIASXXVHTK-UHFFFAOYSA-N 475.596 2.317 10 20 JECD Cc1cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1-c1ccc(Br)cc1 21467301 CTUJJUKKMQNNRY-UHFFFAOYSA-N 470.327 2.487 10 20 JECD CCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)ccc2c1=O 108451933 BOEYPYSGWJPGTA-GJZGRUSLSA-N 454.502 2.392 10 20 JECD CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NCc3ccc(N(C)C)c(F)c3)cc2)CC1 728393849 RQIXUHHMHBAAEJ-UHFFFAOYSA-N 456.566 2.424 10 20 JECD CCN(C(=O)COC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)[C@@H]1CCS(=O)(=O)C1 728637444 LHXXUELGVDIWGQ-GOSISDBHSA-N 450.557 2.097 10 20 JECD CN1CCCc2cc(CNC(=O)CCNS(=O)(=O)c3ccc4c(c3)OCCCO4)ccc21 746880183 YDQUVWXXAUYJMD-UHFFFAOYSA-N 459.568 2.215 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)C(C)(C)C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 826541944 HKXVPJAVHRDZCM-AWEZNQCLSA-N 463.556 2.018 10 20 JECD Cc1c(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)c(O)nc(=O)n1C 904906896 WIDMVQQUZAJQOI-UHFFFAOYSA-N 461.481 2.079 10 20 JECD CC(=O)N[C@H]1CCCN(C(=O)COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 919064470 SOTHKMUYHAMXNB-ZCQLHAAUSA-N 495.648 2.400 10 20 JECD C[C@@H](Cc1ccccc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1782367753 ZJEXSGMQRWAGAW-RGZWJVDOSA-N 489.663 2.239 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccccc1O)C2 1783223071 UCMPSXJBEMNDIW-SNTDARCBSA-N 482.533 2.279 10 20 JECD O=C(CCc1c[nH]c2ccc(F)cc12)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783669621 KLQQRIKHIIUNAW-DEOSSOPVSA-N 468.485 2.190 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)CCc3ccccc3F)C2)C1 1784738751 CCJOFRKZUFOSDP-CZNRWDAFSA-N 470.497 2.418 10 20 JECD COc1cccc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1C 1785509916 CKIHXMFXBAEJLR-TTZARTBGSA-N 482.533 2.206 10 20 JECD CN(C)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)nc1 1785749286 GMWYIQRJKHYIAZ-RISOHXOYSA-N 474.945 2.119 10 20 JECD Nc1nc(C(=O)NC2(c3ccc(NC(=O)CN4C(=O)CSC4=S)cc3)CCC2)cs1 1792313791 GRRVQNCBLDQTPA-UHFFFAOYSA-N 461.594 2.333 10 20 JECD Cc1scc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1C 1794957860 CWXWEQIBOXITKW-UUYBIMOCSA-N 458.536 2.398 10 20 JECD COCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1795776945 AHVSBBOFWCRCRY-PLACYPQZSA-N 474.602 2.379 10 20 JECD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)C(=O)c1ccccc1 1796931123 NXQSCEUBRAUXMQ-QQFNCUIESA-N 487.560 2.190 10 20 JECD CN(C)C(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796935374 BIKSRJUXELKYJX-QQFNCUIESA-N 487.560 2.433 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncon1 1799032093 SPVYFEAJOKBRHI-FCGDIQPGSA-N 484.557 2.040 10 20 JECD O=C(CCNC(=O)c1ccc[nH]1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800715913 XISBHSOJQONWHQ-QDMKHBRRSA-N 460.918 2.151 10 20 JECD C[C@H](NNc1ccccc1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1802516275 GZYBCHCNVCPENG-XAEMIUIASA-N 476.537 2.213 10 20 JECD Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)o1 1803787458 DYBLDVFUZBVRQO-DNVCBOLYSA-N 458.565 2.163 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1csc(C(F)(F)F)n1 1804335863 NXLMATLKVRTBFJ-ILWJIGKKSA-N 478.543 2.274 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cn2ccccc2n1 1809049413 QUFYQXQQCLWAIJ-KSFYIVLOSA-N 458.478 2.169 10 20 JECD COCCCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814161904 MXCKCWMAMNHVOH-KBUQRTECSA-N 455.511 2.344 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cc3cccnc3[nH]2)[C@@H]1c1cccnc1 1814189010 JATYJLPFFSPCIL-OXQOHEQNSA-N 494.602 2.138 10 20 JECD O=C(CC1CCOCC1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1817169386 CSOWYWUDXPSTFT-OAHLLOKOSA-N 465.601 2.079 10 20 JECD CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1)C(=O)OC(C)(C)C 1817844591 GAAWWAAOZYTIRX-HNNXBMFYSA-N 474.518 2.389 10 20 JECD C[C@@H](Nc1nccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1818091761 KDMDGHJIMZNTET-DGCLKSJQSA-N 493.640 2.219 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ccc(O)c([N+](=O)[O-])c1 1821043463 VIJTVFDQYAQIFF-AWEZNQCLSA-N 468.426 2.449 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc[nH]2)[nH]n1 1823498409 QJIJHPHLONOIMU-OAHLLOKOSA-N 460.585 2.223 10 20 JECD Cc1nnc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)o1 1827115424 FLCMRAALJFRZMB-JHTBKMLMSA-N 470.526 2.370 10 20 JECD CC(C)N(C)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1827252555 AVBDZRLOLALPHL-OAHLLOKOSA-N 468.583 2.188 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)cco1)CC2 1828198429 CTLKMEWBIGLCEY-RDNKVPPGSA-N 469.475 2.152 10 20 JECD CC(C)N[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)C(C)C 1832898175 DCZGNVYROXJHKF-RXVVDRJESA-N 482.716 2.489 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C34CC(C(F)(F)F)(C3)C4)CC2)CC1)c1cc(O)nc(O)c1 1834985897 OGJPELMGZAUINB-UHFFFAOYSA-N 482.503 2.411 10 20 JECD O=C(c1ccnnc1)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837431005 CBWWIZHAUFBBOD-UHFFFAOYSA-N 460.918 2.467 10 20 JECD Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)CCO3)c1 1839348336 OTQQYTOKNIUCKH-MHZLTWQESA-N 491.592 2.369 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cnccc4n3)C2)C1 1839434068 LCUGTICZEJAJAT-DEOSSOPVSA-N 498.923 2.078 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1ccon1)C2 1843331435 XORABULAOABPEW-LJQANCHMSA-N 469.542 2.210 10 20 JECD C[C@H]1Oc2ccc(C(=O)N3CC4(CCCN4C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)cc2NC1=O 1843442451 LGKPHPRHEXZTIC-MRXNPFEDSA-N 487.516 2.016 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442697 YEUUTMRLERVBBG-UHFFFAOYSA-N 468.897 2.361 10 20 JECD O=C(COC(=O)c1ccc2c(c1)C(=O)NC2=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 729294323 MYCCIKDJKNCWPT-UHFFFAOYSA-N 454.394 2.141 10 20 JECD COc1ccc(Cn2nnnc2SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 741733209 TWSGWBHTMNJHIO-UHFFFAOYSA-N 454.556 2.180 10 20 JECD CCOc1ccccc1N1C(=O)C(=O)N(CN(C)Cc2ccc(N3CCOCC3)cc2)C1=O 818221742 SLRXMGOIIFJFRX-UHFFFAOYSA-N 452.511 2.307 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)CC2)cc1 916196604 NURGSRJTPNPHRG-OAQYLSRUSA-N 457.619 2.155 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(CCOc4ccccc4)CC3)cc2)C1 918117773 IOLLILRCYSBZBX-QFIPXVFZSA-N 465.598 2.295 10 20 JECD C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1)n1cncn1 918266488 NNKHPEKFNLGUON-KRWDZBQOSA-N 461.526 2.333 10 20 JECD CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 918644947 MKOONWJBVWTKBN-UHFFFAOYSA-N 497.614 2.019 10 20 JECD CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C 918797555 NDZAMCUPJZCBPD-UHFFFAOYSA-N 461.490 2.257 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1F 919800466 UZTJVOQUKRETPX-UHFFFAOYSA-N 482.491 2.345 10 20 JECD CC(C)(C)c1nc(CN2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)cs1 919814895 UPTAQGCMAUIDNG-UHFFFAOYSA-N 452.602 2.476 10 20 JECD COc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc(Cl)c1OCC(N)=O 919970397 ZRMCTBPPUVEQTI-UHFFFAOYSA-N 461.946 2.351 10 20 JECD Cc1cc(C)cc(N2CC[C@H](C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)C2=O)c1 920575133 SLTDBDYQLQVHCP-NRFANRHFSA-N 483.540 2.492 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(F)cnc1Cl)C2)c1cc(O)nc(O)c1 1777850774 IEAQUHFYYBBSDS-QVKFZJNVSA-N 464.881 2.122 10 20 JECD O=C(Cc1ccc2c(c1)OCO2)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782002001 PNOOJGNRTKTRIM-HSZRJFAPSA-N 474.897 2.166 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC1CCOCC1)C2 1783220251 VQWAWVDLUUZHOM-KSCMVAJDSA-N 474.554 2.147 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1789753215 ZHOUUPOHPNAMFI-YEWWUXTCSA-N 497.976 2.258 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1onc2ccccc12 1790404012 CQNYNJZONRRPRP-BPXKWBHBSA-N 487.516 2.214 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccccc3)CCC1)C2)C1=NN(c2ccccc2)C(=O)C1 1796482785 ZKFXWKNJXGEJKK-NXKWYNOOSA-N 486.572 2.491 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1snnc1C1CC1 1797197466 VLHFBMRYNYJAHI-RRJKNOHSSA-N 456.524 2.498 10 20 JECD CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799621028 ZFDQVIQDZPKTJP-DXKRWKNPSA-N 481.597 2.005 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2ccc(O)nn2)C3)cc1 1799622316 GLBNPKRBNPKVHY-VSVJTWGKSA-N 489.576 2.426 10 20 JECD COc1ccc2nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CN3C(=O)CSC3=S)ccc2c1 1804333827 YQBZMZDZDRKGRG-MUJYYYPQSA-N 484.603 2.356 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1ccc[n+]([O-])c1 1804784744 OPQHTYNHTMUKQY-QRWLVFNGSA-N 468.897 2.413 10 20 JECD Nc1c(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)sc2nccnc12 1807315442 YDNYSLLAUGGQNW-BFUOFWGJSA-N 491.533 2.108 10 20 JECD COc1cccc(CC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)c1 1809249185 XQLLREGFMHFSDP-UHFFFAOYSA-N 475.636 2.329 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccn(C(F)F)n1 1810908839 OQTUVPBQTIIAQK-FZKQIMNGSA-N 458.425 2.113 10 20 JECD N=C(N)SCCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811803502 JUVTWHPWEBFGHI-UGSOOPFHSA-N 477.974 2.483 10 20 JECD Cc1cnc2c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)cnn2c1 1817846297 PSPKZRICUJAPJB-MRXNPFEDSA-N 462.470 2.187 10 20 JECD Cn1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)cn1 1825931808 KPRNMWRBOINKLQ-QFIPXVFZSA-N 462.554 2.446 10 20 JECD N=C(N)SCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877581 SLTUSPRCPQXGIX-YERXGYGTSA-N 462.572 2.063 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)[C@@H]1C[C@H]1C1CC1 1833249139 FPQCRBCPVSSVQZ-XZOQPEGZSA-N 477.609 2.397 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cscn3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132884 XQAPXMWLJODOAV-UHFFFAOYSA-N 480.594 2.121 10 20 JECD CN1CCCC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836726478 NGVOYHSPKBDZQH-DEOSSOPVSA-N 495.624 2.262 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837076051 VPHKSYLZGJGFIM-HSZRJFAPSA-N 494.592 2.162 10 20 JECD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1838967089 IQJQWQOWNYTVAN-QHCPKHFHSA-N 476.913 2.144 10 20 JECD CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)c1ccccc1 1840880227 DCWCABNNQGPGFR-YVEBZSINSA-N 496.560 2.467 10 20 JECD CCCN1CCN(c2ccc(C(=O)N3CC4(CCCN4C(=O)c4cc(O)nc(O)c4)C3)cc2)CC1 1843250881 YIJXHSJMTKOBCA-UHFFFAOYSA-N 479.581 2.156 10 20 JECD Cc1nc(-c2ccccn2)sc1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1843455570 GQFRRUQKDFVJPR-UHFFFAOYSA-N 451.508 2.451 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cnc3cc(C(F)(F)F)ccn23)C1 1845718078 AOJYLLRAGJNBPN-UHFFFAOYSA-N 497.524 2.030 10 20 JECD COc1ccc(OCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2=NN(c3ccccc3)C(=O)C2)cc1 1847400404 XBUFSAVWUKPZNF-VXKWHMMOSA-N 462.506 2.069 10 20 JECD C[C@H]1NC(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)=NN(c2ccccc2)C1=O 108634398 JUELZKKNEFOTJG-OAHLLOKOSA-N 475.471 2.497 10 20 JECD CCOc1cc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)cc(Cl)c1OC 727178616 YLOUXDVTJSUPRO-UKTHLTGXSA-N 450.991 2.498 10 20 JECD O=S(=O)(NC[C@H]1CCCO1)c1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1 727468417 NLNWEQRIEJAHQY-HXUWFJFHSA-N 463.575 2.409 10 20 JECD CN(C)CCNC(=O)c1cccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 727479436 JEILQWCZVAPKGV-UHFFFAOYSA-N 453.587 2.156 10 20 JECD Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C)n1-c1cccc(C(C)C)c1 728699411 UJTBHEUEXYVTGP-DHIUTWEWSA-N 459.612 2.445 10 20 JECD CCN(C1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1)S(C)(=O)=O 731359480 KSMJYPKSHIVCES-IRXDYDNUSA-N 470.611 2.395 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)c2C)cc1F 914655014 OQCSCLARMTWWGZ-MJGOQNOKSA-N 490.553 2.303 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1S(=O)(=O)N1CCCCC1 915732138 UYMVLLAHKDSAKS-UHFFFAOYSA-N 474.583 2.191 10 20 JECD CCN(CC)C(=O)N1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 916978219 IFGQXICOXRMLCF-RTBURBONSA-N 463.598 2.135 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2F)C[C@H](C)O1 917918850 UGLITUKJZKPZRU-HOTGVXAUSA-N 485.603 2.168 10 20 JECD CC1(C)Oc2ccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2O1 918465808 SQSDXKCRWDZWKW-MRXNPFEDSA-N 452.511 2.151 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc([C@@H](C)NC(C)=O)s3)CC2)cc1 918744288 ZLRJIYRCRCUMSC-QGZVFWFLSA-N 480.656 2.444 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccccc3S(C)(=O)=O)cc2F)C[C@H](C)O1 918799406 WOPBZLVKNXWMCT-HOTGVXAUSA-N 478.542 2.316 10 20 JECD Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)c1C 919806143 NBHZZGRHOMPFAN-UHFFFAOYSA-N 495.623 2.144 10 20 JECD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCc1ccc(N2CCOCC2)cc1 919821331 BDIPGVRNVRDWPS-QGZVFWFLSA-N 462.528 2.192 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(Cl)c1N1CCOCC1 920196596 YRYUVAFOUUMRDV-UHFFFAOYSA-N 458.946 2.268 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1ccc(N2CCOCC2)cc1 920924713 DCYKXTRXPAZLBS-ZWKOTPCHSA-N 491.552 2.130 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)cc1 1781753964 HRZULZRRQMDLAU-SANMLTNESA-N 491.548 2.112 10 20 JECD O=C(/C=C/c1ccccc1)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785508216 ARCACPMBFVLMFB-XVVOFJSXSA-N 450.491 2.360 10 20 JECD CCN(CC)[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccccc1 1790670052 KBSKCIRHVIFETN-FVLCUVFVSA-N 482.581 2.169 10 20 JECD COc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1F 1792106063 LIJLRUDHTMOHEY-BPXKWBHBSA-N 494.523 2.221 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3CCCC4)C[C@@H]21 1792245051 KALRUSXSVAVWKO-VDGAXYAQSA-N 487.647 2.019 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1cnc2ccc(Br)cn12 1796601053 XBJSZBLLKFZJTK-QDMKHBRRSA-N 486.326 2.469 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cn2cc(F)ccc2n1 1797429910 RZZXUZCMSMSNPH-DBWKPXFBSA-N 474.876 2.055 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1Cc2ccccc2O1 1797829882 BQZOMCIWSVZMIY-JIKJNHBQSA-N 450.491 2.459 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)cc1 1799620320 WLMGKSFDXLDTDJ-IRJINJETSA-N 492.536 2.102 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccccc2=O)C3)cc1 1799620750 XASCWSYQGJGUQM-MOOYMSSBSA-N 474.561 2.159 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(F)CCCCC1(F)F)C2 1802079514 GOKDJXWCRXQUKH-KNXJYALFSA-N 484.471 2.324 10 20 JECD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1802240035 DJZMIFNULGUROD-RSRIQPTJSA-N 478.549 2.173 10 20 JECD O=C(COC1CCCCC1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1802912724 DFSGAOIKAXBXIA-VGSWGCGISA-N 490.651 2.297 10 20 JECD COc1ncc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1F 1804961711 WRAKCWHZHMOTNE-VBKZILBWSA-N 467.457 2.064 10 20 JECD CCc1nn(C)c(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1Cl 1807991781 SWIRVAJTAVMAJJ-JLTOFOAXSA-N 484.944 2.471 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996403 RMNAWUGBRMSCBW-SBUREZEXSA-N 476.489 2.292 10 20 JECD O=C(CC(F)(F)C(=O)O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1810876010 GTULLAVLXXOHCJ-UHFFFAOYSA-N 476.480 2.121 10 20 JECD CC(C)(O)CC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162151 HCDQPGQRUUMFPV-QXMHPGBQSA-N 455.511 2.079 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccc(O)cn2)[C@H]1c1cccnc1 1814162298 IHTCWOPBDQLGDF-HGALLEHASA-N 476.489 2.332 10 20 JECD Nc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)sc2nccnc12 1817845032 VFHYQZZGUGXDSR-GFCCVEGCSA-N 480.510 2.423 10 20 JECD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccccn1 1822903107 FQJQYFMGUAPRSZ-CZUORRHYSA-N 472.596 2.461 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2nnsc2C2CC2)[nH]n1 1823498612 RAFUXKFXEJOSJU-GFCCVEGCSA-N 491.624 2.305 10 20 JECD COC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836912531 CUFQURYLEWIFKR-SFHVURJKSA-N 470.570 2.060 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)[C@H]3CC3(F)F)CC2)CC1 1838110352 AZQWMGSCEMCPOW-LJQANCHMSA-N 474.508 2.433 10 20 JECD O=C(c1c(C(F)(F)F)nc2ccc(F)cn12)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250756 LZTSOJQAFARSNR-UHFFFAOYSA-N 479.390 2.429 10 20 JECD CO/C=C(\C)C(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1844180584 QOWODXDBSKALLV-QCUIPMNBSA-N 489.569 2.287 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)C3=NN(C)C(=O)CC3)c2C)c1 17734261 QAIBJIRQANVOAI-UHFFFAOYSA-N 483.477 2.001 10 20 JECD C/C=C/C=C/C(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 25461001 NKXFCZBSIZLPRU-VSPVGFJASA-N 460.533 2.408 10 20 JECD COc1ccc(N2CCC(NC(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 726561648 IQOGUTIBWRPFLZ-UHFFFAOYSA-N 462.528 2.057 10 20 JECD CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 730529877 MTGPYXUMPDVWJC-LJQANCHMSA-N 451.589 2.327 10 20 JECD COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)o1 730932840 RGJMARBCODYTHE-UHFFFAOYSA-N 471.538 2.241 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3-n3ccnn3)cc2F)C[C@@H](C)O1 918289660 ZNHHJRNMMQVGNP-IYBDPMFKSA-N 452.490 2.275 10 20 JECD O=C(COC(=O)c1ccc(OCC(F)(F)F)nc1)NCc1ccc(N2CCOCC2)c(F)c1 918937087 FAXVFWGDEZTWAT-UHFFFAOYSA-N 471.407 2.472 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1[nH]nc2ncccc12 1777913917 HWDZDVUAMQXZBJ-UZUQRXQVSA-N 485.928 2.464 10 20 JECD Cc1onc(-c2ccncn2)c1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1780048947 BTCCWOWGWWJBTF-HSZRJFAPSA-N 499.911 2.262 10 20 JECD Cc1ccc([C@@H](C)C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)cc1 1781879759 NESBHPYXMBBTSM-ROMRWMGNSA-N 489.663 2.473 10 20 JECD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)[S@@](=O)c1ccccc1 1782009624 XNWASCJMFHPDBQ-UAUDRKICSA-N 492.981 2.391 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1nnsc1C1CC1 1787679359 GJSPEYHFNTVAFR-RBOXIYTFSA-N 478.958 2.387 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)nc3F)C[C@@H]21 1792218142 ZGEGGCLAOVCGEH-FZKCQQSSSA-N 491.903 2.298 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796602382 CCDYKJMZYGGRDM-NRSFXHEJSA-N 474.558 2.392 10 20 JECD Cc1cccc2[nH]c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)cc12 1797400596 XKMNSYSEMYDDPB-LWDWJGHZSA-N 485.544 2.472 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1Cc2ccccc2O1 1797829885 BQZOMCIWSVZMIY-RDMZFHBCSA-N 450.491 2.459 10 20 JECD CC(=O)N(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799619737 BQGWVJSPMXYAKP-BRTYFSMRSA-N 466.582 2.166 10 20 JECD COc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1F 1801927802 POPLHPZRZYHYNM-DBWKPXFBSA-N 464.877 2.416 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1cnn(-c2cccnc2)c1 1804283617 IIZXVGKWPFHOOH-QGZGNFAASA-N 475.505 2.349 10 20 JECD O=C(Cc1cccc(C(F)(F)F)n1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804331558 ZOQLLGNDCZYJRJ-BTTYYORXSA-N 486.541 2.141 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccn2ccnc12 1809886579 HZOCNXOQBABFIP-IIBYNOLFSA-N 458.478 2.169 10 20 JECD Cn1ccc2c(O)ncc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c21 1811277035 XWNPRTDTWYQSOQ-BTYIYWSLSA-N 488.504 2.114 10 20 JECD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)no1 1813332232 PKRYJCDZIBOSLF-UQBPGWFLSA-N 486.532 2.419 10 20 JECD CC(C)OCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162956 ZUKKXBIEQKFBND-AEVOMHCASA-N 455.511 2.343 10 20 JECD O=C(CCN1Cc2ccccc2C1=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816725406 JGKPDPSUONUNQZ-HNNXBMFYSA-N 493.545 2.221 10 20 JECD Cc1ccnc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1 1827760384 LVJNGDKFMRIACQ-GOSISDBHSA-N 460.625 2.484 10 20 JECD Cc1cnn([C@H](C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1 1832190124 OFRLRSHJDXFBRF-SJLPKXTDSA-N 477.656 2.233 10 20 JECD O=C(Cc1cnccn1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832874463 ARZSZOJKACJTLK-ZEZYUPADSA-N 466.538 2.469 10 20 JECD C[C@@H](Nc1nccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902439 MDPBZZPQUDCJCH-ZBFHGGJFSA-N 495.696 2.424 10 20 JECD O=C(c1cn2ccc(C(F)(F)F)cc2n1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250702 FFTVFEXBDFIUIO-UHFFFAOYSA-N 461.400 2.290 10 20 JECD O=C(c1cc2ccc(Cl)cc2[nH]1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847051143 QNTNCEDNCFOWLL-UHFFFAOYSA-N 462.984 2.499 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CCOc3ccc(S(N)(=O)=O)cc3)cc2F)C[C@@H](C)O1 726380790 DRXILCLWEJKTOD-IYBDPMFKSA-N 465.547 2.172 10 20 JECD COc1ccc(N2CCC(NC(=O)CCNS(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 726563141 WXWBWYXXWYNVMO-UHFFFAOYSA-N 489.594 2.310 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)c2C)cc1 914657907 YVHIKKUELRMLRQ-ICSRJNTNSA-N 472.563 2.164 10 20 JECD COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@](C)(c4cccc(Cl)c4)C3=O)CC2)cc1 915797976 VLABCVSAJXLICD-HSZRJFAPSA-N 456.930 2.464 10 20 JECD C[C@@H]1Cc2cc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)ccc2N1S(C)(=O)=O 917832843 HLMOORHDCROYLM-VQIMIIECSA-N 470.595 2.029 10 20 JECD COc1cc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc2c1O[C@H](C)C2 918919754 QABRJPUIWSVMSX-OAHLLOKOSA-N 458.486 2.468 10 20 JECD Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920922748 IIABOBWEVPHCOA-IBGZPJMESA-N 452.555 2.484 10 20 JECD COC(=O)N1CCN(Cc2c(O)ccc3ccc(O)c(CN4CCN(C(=O)OC)CC4)c23)CC1 921051194 AJAWVFUUFLTJFA-UHFFFAOYSA-N 472.542 2.019 10 20 JECD C[C@@H](Nc1nccs1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782001414 KDVFNSARMUHOCV-ODXCJYRJSA-N 466.947 2.152 10 20 JECD O=C(c1ccc(OCCCO)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007557 TZSWJASXEBXSJC-DEOSSOPVSA-N 490.940 2.270 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783222892 PQEFVMPETVMDAL-UNUPSNOVSA-N 497.548 2.193 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cnnc(Cl)c1 1785452014 KHGYGVXNZCSQLO-NKFCBESUSA-N 467.309 2.102 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1cccs1 1785906390 LZKLSKJOFNKXND-IEZWGBDMSA-N 452.536 2.134 10 20 JECD COCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 1790126251 JCGSLCQCEJPNRO-XWGVYQGASA-N 469.582 2.350 10 20 JECD O=C(CSC1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1793330683 XDDYKUYGQZIVJP-GPVSGQMNSA-N 470.595 2.045 10 20 JECD Cc1cc(F)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796482560 IREVSVHSNIZWAK-GPVSGQMNSA-N 464.497 2.130 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ccc(Br)cn12)c1cc(O)nc(O)c1 1798246965 FLZXIYGLAQGKPC-QDMKHBRRSA-N 486.326 2.469 10 20 JECD CC(=O)N(C)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1804072957 NSPCKLDCVVGSDU-HRAATJIYSA-N 474.945 2.334 10 20 JECD Cc1c(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cnn1C 1805924569 GWAMKODIYVTCNU-NTKDMRAZSA-N 485.548 2.236 10 20 JECD O=C(Cc1ccccc1F)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1806534025 YCQLCDHQKUSCBT-VGSWGCGISA-N 486.594 2.330 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1810207211 IMWRKJWDUDZBIO-RADWXHQJSA-N 497.646 2.448 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c(C)n1C 1811237723 DXAYYMFHRHIYAJ-UTKZUKDTSA-N 485.635 2.217 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n[nH]1 1811477574 SCXNYIFEJMHRBE-IRUILINGSA-N 463.494 2.263 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)CCCc2ccncc2)[C@@H]1c1cccnc1 1814184923 GYYZYYOBMSGLTI-WMZHIEFXSA-N 497.646 2.366 10 20 JECD Cc1ccn(CC(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n1 1817364267 RUKJECRUUUWCLU-HNNXBMFYSA-N 477.550 2.053 10 20 JECD CC(C)c1nc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)no1 1817844177 SEXADEHGXCAGKT-AWEZNQCLSA-N 455.475 2.271 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@H]2CCCCN2C(=O)COc2cccnn2)[nH]n1 1823480401 YGZAFLBADOSQMB-MNDMWVCDSA-N 480.481 2.101 10 20 JECD Cn1ncc2c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CN4C(=O)CSC4=S)n[nH]3)cccc21 1823498394 QIWOXDNJETYEMA-KRWDZBQOSA-N 497.606 2.463 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccnc4ncccc34)sc2C1 1824097501 DLRQXWAIYVIURV-NSHDSACASA-N 498.615 2.172 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2O)CC1 1825668152 MQVXHQFLOVLGGA-QGZVFWFLSA-N 461.609 2.486 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)CCN3C(=O)C=CC3=O)C2)cc1 1841757422 BMDNQIXRCSVSRQ-UHFFFAOYSA-N 460.534 2.226 10 20 JECD CC(C)OC(=O)c1ncccc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O 1848324229 JTNOEYAGGDVXDG-NKXVPCSKSA-N 481.505 2.292 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 9919408 JMKYHKOQRONQAZ-UHFFFAOYSA-N 495.045 2.298 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(Br)cnc2-n2cccn2)cc1F 731128853 FEEPOFRRLWROCP-UHFFFAOYSA-N 461.295 2.490 10 20 JECD CC(=O)Nc1cc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(F)cc1F 743382443 UXBMNHMVULSJPO-UHFFFAOYSA-N 450.417 2.154 10 20 JECD CC(=O)CCC(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 747901619 LUNLYAUAFKNQAZ-UHFFFAOYSA-N 476.551 2.210 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 751337352 RNOQOJFRIUEQQJ-UHFFFAOYSA-N 459.637 2.400 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)/C(=C/c3cccc(OC)c3)n3nnnc3C)CC2)cc1 843444061 GLPUOYBZJAQNKZ-PLRJNAJWSA-N 491.596 2.325 10 20 JECD CN(CC(=O)N1CCCC1)Cc1c(O)ccc2ccc(O)c(CN(C)CC(=O)N3CCCC3)c12 914782082 MZFUVCPBEXQGQR-UHFFFAOYSA-N 468.598 2.359 10 20 JECD CCOC(=O)c1c(N/C=C2/C(=O)NC(=S)N(CCOC)C2=O)sc2c1CCCS2 920978619 AGPIJIFQXCTREW-LUAWRHEFSA-N 455.583 2.149 10 20 JECD COCCN1C(=O)/C(=C/Nc2ccccc2C(=O)Nc2ccc(OC)cc2OC)C(=O)NC1=S 920978702 FSHGWSDOXYGNEV-DTQAZKPQSA-N 484.534 2.142 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4cccn4)cc3Cl)C2)C1 1781487617 GKGGFTYWOCZCGY-HSZRJFAPSA-N 483.912 2.089 10 20 JECD CCOc1c(F)c(F)cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)c1F 1782012738 PCIWBSIDGYMGJH-QFIPXVFZSA-N 481.427 2.066 10 20 JECD CO[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1)c1ccccc1 1792218471 GXXBZMGGCIZTAZ-BWEBLPQQSA-N 482.533 2.184 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2cc(Cl)ccn12 1796525883 YCXHNRJYKNGGJQ-BTTYYORXSA-N 477.999 2.100 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc3[C@H]1O)C2)c1cc(O)c(O)c(Cl)c1 1799767137 SAUVOVXWZKRKIF-PVNULFKGSA-N 486.952 2.250 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1801227481 WEJISTQPGWHWAB-BCEDRHLLSA-N 459.930 2.228 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccsc1)C2 1802080113 LDANZYDXCGVDEQ-SCLBAFNVSA-N 458.536 2.101 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)[C@@H]1CCc2ccccc2C1 1804335911 FSWBCMQYBJZJIG-AKHDSKFASA-N 457.621 2.290 10 20 JECD Nc1nc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cs1 1807233741 ZAJZHOAUSLWJHJ-IERDGZPVSA-N 489.561 2.233 10 20 JECD CC(C)Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n(C)n1 1807995082 XLFFVPBFFDDHBT-SBUREZEXSA-N 478.553 2.453 10 20 JECD Cn1cc(CCC(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cn1 1808467937 JROCJRBRNVAIOW-LVXARBLLSA-N 499.575 2.247 10 20 JECD Cc1nc2ccccn2c1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1809066260 POLWHJGCXBTNDO-SBUREZEXSA-N 472.505 2.477 10 20 JECD Cc1nnc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)o1 1811803992 PYWVTBLHUZSOTD-VBKZILBWSA-N 471.901 2.400 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cnsn2)[C@H]1c1cccnc1 1814161620 ATDHWTOFNPURNQ-DNBICOFOSA-N 467.507 2.083 10 20 JECD CN(C)c1ncc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)o1 1814163014 VDCWKLXWAKBRQN-QSUDOZCYSA-N 493.520 2.285 10 20 JECD CS(=O)(=O)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)c1 1814617918 OTACEWQUJMCRNC-QGZVFWFLSA-N 485.522 2.239 10 20 JECD C[C@@H]1CCc2c(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)n[nH]c21 1816724704 BKTWKOUTRAJAKZ-MWLCHTKSSA-N 454.512 2.262 10 20 JECD N[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)c1ccccn1 1826906048 CZCKXMKQAYFLNY-ILBGXUMGSA-N 488.592 2.494 10 20 JECD N[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cccc(Cl)c1 1834986914 JFKFZTBUHIHJIU-JOCHJYFZSA-N 487.988 2.031 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)cc1 1835652684 RSKXMBZAJPTTBM-VWLOTQADSA-N 499.637 2.181 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2ccc(O)nc2)C1 1844765611 VVSFXGSDXLHIJX-HXUWFJFHSA-N 495.580 2.322 10 20 JECD CCn1c(CCC(=O)NCc2cccc(OC)c2O)nc2cc(S(=O)(=O)N(C)C)ccc21 727760915 DDTRQXFFUUUMIC-UHFFFAOYSA-N 460.556 2.270 10 20 JECD CCN1CCN(C(=O)CC2CCN(Cc3cc(C(C)=O)cc(CN4CCOCC4)c3O)CC2)CC1 731208545 CMRXHKYGLISKHI-UHFFFAOYSA-N 486.657 2.193 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccnc3)cc2)C1 742355834 WYUAASZUYJTUHE-UKILVPOCSA-N 485.588 2.441 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C3(OC)CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 742920851 VIWKPZNFTISHLL-UHFFFAOYSA-N 476.618 2.350 10 20 JECD CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 742927477 RVMBBLMJYNKVFQ-LJQANCHMSA-N 474.627 2.324 10 20 JECD CC(=O)N(C)C1CCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 747473681 RDPFRXLWJPZMJD-UHFFFAOYSA-N 476.511 2.184 10 20 JECD O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 916676831 VMSFYKIEQZILMH-UHFFFAOYSA-N 473.639 2.260 10 20 JECD CC(=O)N1CCN(c2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2[N+](=O)[O-])CC1 919767196 NVWMXRUDMGSBQU-UHFFFAOYSA-N 467.526 2.030 10 20 JECD COCCN1C(=O)/C(=C\NCc2ccc(OCc3ccccc3)c(OC)c2)C(=O)NC1=S 920979928 ZXIDMBXYPZTGEK-JXAWBTAJSA-N 455.536 2.137 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncsc1Br)C2)c1cc(O)nc(O)c1 1777848050 IEYHCUKYWIWRQU-CWTRNNRKSA-N 497.371 2.153 10 20 JECD COc1ccc([C@H]2C[C@H]2C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1 1777849734 ZZAMARRGTIYJDJ-VLECTGLKSA-N 481.549 2.433 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc2cccnn2c1 1781329000 VFMPYIQWAFVLBH-YRHVXKOMSA-N 492.532 2.292 10 20 JECD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c(F)c1 1781600229 VJZSGAACQDDWPI-CMEAPCDJSA-N 472.469 2.108 10 20 JECD CCOc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1783392265 VWEBZODOWOHQNB-AXHNFQJDSA-N 475.929 2.452 10 20 JECD Cc1noc(C)c1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1785362708 GGQLUJWNANAFEM-COXPJZAUSA-N 485.537 2.034 10 20 JECD COc1cc(C)c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1OC 1785509899 JBOCBXFRNHAEFN-UJWGQFCKSA-N 498.532 2.286 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)[C@H]1CNc2ccccc21 1786880878 MPNKKLKLXFOTDO-BKMMKJMJSA-N 479.533 2.006 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCc3cccnc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787541396 KQOOGTAORGHXOE-SSPYTLHUSA-N 489.576 2.177 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc(C(F)(F)F)cc1 1789604991 FAWVXMBQPLMGBN-JQFCIGGWSA-N 465.428 2.419 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CO)c(F)c3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245559 NUGMSHDSILVUKX-UVFQYZLESA-N 478.904 2.290 10 20 JECD Cn1cnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)c1C(F)(F)F 1796934238 FRBPEOMCJSDXAA-RBVVOMGSSA-N 488.470 2.484 10 20 JECD CC(C)(C)n1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)nn1 1799433309 RYYOIUJEFQNTNM-VBUUOAMHSA-N 463.542 2.078 10 20 JECD C[C@@H]1Oc2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)/C=C/c3ccc(O)c(O)c3O)cc2NC1=O 1804289167 YTVGHKOZJCRZCQ-NIWMJNDNSA-N 493.516 2.488 10 20 JECD CN1CCC[C@H](C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)C1 1807573975 GQGXKVQOSRGXMC-RCKLYUAKSA-N 480.565 2.259 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]1c1cccnc1 1814166259 PJQTXDKHCNQOPM-RYRPVMDLSA-N 479.533 2.485 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)Cc2ccccc2F)[C@H]1c1cccnc1 1814186618 UPEVVBGOFMGFDG-JTSKRJEESA-N 486.594 2.330 10 20 JECD C[C@]1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)CCCN1 1818147969 SIUFHIRGUWESGL-YADARESESA-N 463.542 2.337 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ncn(-c2ccccc2)n1 1818199259 AVLGNZMDFVHUHE-QGZVFWFLSA-N 474.481 2.416 10 20 JECD C[C@H]1CCc2c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)CN3C(=O)CSC3=S)CC4)n[nH]c21 1818343987 AOOGKGUSJXXSEA-UWVGGRQHSA-N 490.636 2.002 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2Cc3ccccc3O2)[nH]n1 1823500117 PXPCCMNOWOMZAU-WBVHZDCISA-N 485.591 2.266 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1nc3ncccn3n1)CC2)c1cc(O)c(O)c(Cl)c1 1823711322 ZTJQTLIAGLGRJJ-SNVBAGLBSA-N 485.913 2.185 10 20 JECD CC1(C)CC(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)C1 1826209283 CJOQLFZWUCKMSD-LLVKDONJSA-N 452.627 2.352 10 20 JECD CCOC(=O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1828217873 GXOOFMKATHHAQF-BCRSCGJKSA-N 489.550 2.475 10 20 JECD CS(=O)(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1832399982 CHXRYYRDFRNTIZ-KRWDZBQOSA-N 472.991 2.419 10 20 JECD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)C1(O)CCC1 1832899686 KPTPGHHVTNUZDK-RDJZCZTQSA-N 467.657 2.018 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1cscn1 1834223298 QUZBZWWAXUOQPI-DUXPYHPUSA-N 472.567 2.159 10 20 JECD Cc1ccn(C)c1C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1836194629 VVKPXLRJYWBVSK-GQCTYLIASA-N 482.581 2.349 10 20 JECD O=C(Cc1ccc(F)cc1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837719427 HNSSKTIZTNMNJX-UHFFFAOYSA-N 457.502 2.487 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1847968242 OKWHGZPVEBZISC-ULQDDVLXSA-N 460.531 2.098 10 20 JECD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCN(c2ccc3nnnn3n2)CC1 726565888 MIFDAFBRSDFELJ-UHFFFAOYSA-N 472.500 2.122 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(CC(=O)NC3CCC(C)CC3)CC2)c1 728286549 SIOGUBPOKLUAII-UHFFFAOYSA-N 486.657 2.240 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 742916799 NXEIRTRSDSVZHH-UHFFFAOYSA-N 450.499 2.341 10 20 JECD C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 916624562 GPFMBBNVAFGWIQ-FQEVSTJZSA-N 459.660 2.468 10 20 JECD COC(=O)CCNC(=O)c1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 918030002 JUTBYVOHNUMFJA-IBGZPJMESA-N 481.553 2.003 10 20 JECD O=C(COC(=O)c1cnc2sccn2c1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 919265540 NMVYNILTSGGOMX-UHFFFAOYSA-N 459.439 2.327 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccn1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126491 XYEACOQTLBMWJJ-PXDATVDWSA-N 461.522 2.002 10 20 JECD CC(=O)C[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1782146096 JBUJHXZMUVUIBK-FIRDEBMASA-N 452.935 2.494 10 20 JECD CC(C)(C)Oc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1785545322 PCGZBBASAXQQBB-HSZRJFAPSA-N 491.635 2.168 10 20 JECD O=C(CCc1cnc[nH]1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1786809972 CLIRHDFQZTXGBY-UHFFFAOYSA-N 457.581 2.337 10 20 JECD Cc1cnn([C@@H](C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)c1 1790246041 GZAVETUDPOVXTH-PWDMQXDWSA-N 462.934 2.111 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3occc3c1O)C2)C1=NN(c2ccccc2)C(=O)C1 1796481308 YEYVPGSDTZLILR-RSQQPWMTSA-N 488.500 2.135 10 20 JECD Cn1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)cc2c1-c1ncccc1OC2 1796600358 BWEBSKUZNBPGMB-BJWYYQGGSA-N 475.505 2.351 10 20 JECD O=C(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)Nc1ccc(F)cc1 1799036456 CMGNMTDHTJIBLH-GFENJXEQSA-N 491.903 2.122 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2)c1cc(O)c(O)c(Cl)c1 1799769163 PMUFKMYQRXHLJM-KSPBDQMDSA-N 479.848 2.316 10 20 JECD CCCNC(=O)CCC(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)C1 1805882551 AAIUBZXFGZKQGU-VMPITWQZSA-N 473.570 2.354 10 20 JECD O=C(COCc1ccccc1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1806880954 QISKCIRWWKHPAJ-XXBNENTESA-N 498.630 2.165 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3cccnc3n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996554 VGKSEYYPAXZSBF-VGOFRKELSA-N 470.489 2.464 10 20 JECD CCc1noc(C)c1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810940845 QQCLBLLFNJARJZ-QVKFZJNVSA-N 451.483 2.380 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1snnc1C1CC1)CC2)c1cc(O)nc(O)c1 1816726172 SFVVJTFNALGQIL-SNVBAGLBSA-N 458.525 2.218 10 20 JECD CC(C)(C)[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364256 RTCJLTHYJOWKGR-ORAYPTAESA-N 469.567 2.255 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CC[C@H](O)CC1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817367221 STWXIGTYVKNYKN-BFYDXBDKSA-N 481.578 2.399 10 20 JECD COCCn1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)n1 1817617721 AZMOFEWRRSZTQK-RRFAQUSLSA-N 499.549 2.042 10 20 JECD Cn1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)c(C(F)(F)F)n1 1820518459 ITEBUFWCHFFGBY-VIFPVBQESA-N 482.444 2.241 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(-c4ccccn4)[nH]n3)sc2C1)c1cc(O)nc(O)c1 1820641919 PXAYERRLWZFPLD-LBPRGKRZSA-N 477.506 2.274 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CNC(=O)C(F)(F)F)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821295218 INJTZWIFIRQAQC-GFCCVEGCSA-N 489.838 2.459 10 20 JECD Cc1nnc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)s1 1825232016 XRVOAYHLHJAPOF-MRXNPFEDSA-N 495.696 2.259 10 20 JECD COC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714954 DJCLIJFNGLNNGS-NRFANRHFSA-N 468.554 2.352 10 20 JECD Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)ccn1 1829249928 DDPJPDBJJJSNBD-SFHVURJKSA-N 460.625 2.484 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)CCCn2ccnc2)CC1 1832158346 JJMCCKDAHPGWSL-SFHVURJKSA-N 477.656 2.143 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(N2CCC(NC(=O)C3(c4ccc(O)cc4)CC3)CC2)CC1 1833329240 FQFKLVOCFYFCCD-UHFFFAOYSA-N 480.565 2.115 10 20 JECD COc1ccc([C@H]2C[C@@H]2C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1833445323 ZIPNXVXZLMWFPK-PKTZIBPZSA-N 494.592 2.490 10 20 JECD CC(C)[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1)c1ccc(F)cc1 1836419477 JNLGYCBOIKOEQK-WIOPSUGQSA-N 487.528 2.142 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 727196263 WUWYJEGGTJDIEG-YADHBBJMSA-N 469.538 2.026 10 20 JECD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)c2cc(OC)ccc2O)o1 729536362 ZSKQAQHKUMKZGZ-XJKSGUPXSA-N 466.512 2.201 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730620931 RIXGJUQKBKXLGB-HXUWFJFHSA-N 467.522 2.079 10 20 JECD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 731124222 MBNFEDRVQPUJLI-UHFFFAOYSA-N 495.511 2.280 10 20 JECD Cc1cc(C(=O)NCCS(=O)(=O)N2CCOCC2)c(C)n1-c1ccccc1Br 748060940 IHVDQQARLKFXAP-UHFFFAOYSA-N 470.389 2.248 10 20 JECD Cn1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nnc1[C@H]1CCS(=O)(=O)C1 792057375 MHRQYLIIKAIXDW-ZDUSSCGKSA-N 496.570 2.223 10 20 JECD COc1ccc(N2C[C@H](C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2=O)c(OC)c1 917833459 OHVWROOCYQKISL-RTBURBONSA-N 480.565 2.075 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(Br)c2c(c1)OCO2 919818570 MNPDSNPVBJVNHA-UHFFFAOYSA-N 467.341 2.343 10 20 JECD CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c(F)c1 919957161 GHBNPMSCIPMUSB-UHFFFAOYSA-N 471.941 2.023 10 20 JECD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CC2)c1 920881149 AKZGGMLCCKEPNN-OAQYLSRUSA-N 486.638 2.161 10 20 JECD COCCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl 920927309 ZYDKUFUZUXFSOM-INIZCTEOSA-N 488.972 2.369 10 20 JECD O=C(c1ccc2nonc2c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005636 SEGSNHIOFZHSPK-NRFANRHFSA-N 458.858 2.045 10 20 JECD O=C(Cc1ccc(F)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1786536974 YSIWSYSVAVCFCE-HARLFGEKSA-N 478.524 2.141 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)C1CC2(CCC2)C1 1791834163 YXHSQHGWHPGNQH-XJABCFGWSA-N 464.566 2.339 10 20 JECD CC(C)(C)OC(=O)NCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1793871319 NMWJNVBWSJMBBZ-BJWYYQGGSA-N 462.547 2.440 10 20 JECD Cc1ccc2oc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)cc2n1 1795942591 ARQICAQHBVTTNV-XHNJZIHCSA-N 487.516 2.132 10 20 JECD Cc1cc(Br)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)cc1F 1799855129 QQFATHQTKHHWFS-DBWKPXFBSA-N 494.317 2.220 10 20 JECD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804291603 PNBAUWVFYCMHSG-GWUXWGSGSA-N 470.522 2.210 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1csc2c1CCCO2 1804333437 KVAUZPUNWKTKAQ-CLLJXQQHSA-N 465.622 2.185 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccnnc1 1805495328 SHVBAYAGYZZRPC-RKUWUGLRSA-N 461.478 2.021 10 20 JECD Cc1nc(CC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)cs1 1807047068 SYMBNKOYQIEROV-UHFFFAOYSA-N 466.654 2.086 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1cc(O)n[nH]1 1807288528 TUXXUFRCAOUFLF-KPZWWZAWSA-N 457.874 2.208 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc(O)cc1 1808425923 DPZCKIUFEBNOOY-QXATTWAWSA-N 498.630 2.457 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1nnsc1C1CC1 1808733544 LQCBWSFXJJEITA-IFXJQAMLSA-N 466.523 2.250 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)n1cccn1 1813429284 IIEIBXSLYXRIMP-OXFPBFHOSA-N 477.521 2.375 10 20 JECD CCOC(=O)O[C@H](C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814165629 JHZLQCAIBQYYJS-OVEDZIDSSA-N 499.520 2.479 10 20 JECD CN1CCC[C@H](C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)C1 1814167118 YDLSDDHSYZTKQE-BDDZAWRMSA-N 480.565 2.259 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc4n(n3)CCC4)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1819283782 DTMNQXRVUULLHH-CQSZACIVSA-N 489.561 2.305 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2)N1C[C@H]2C[C@H]2C1 1819582348 ZZQLDAAPNVHNQA-FOCRTILESA-N 484.578 2.226 10 20 JECD COC(=O)c1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)s1 1822436830 BBFRJKSOTGLNMM-NSHDSACASA-N 488.547 2.266 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CO)c(F)c2)[nH]n1 1823500962 KEQYXSFDIFHPGN-INIZCTEOSA-N 491.570 2.207 10 20 JECD Cc1nc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c(C)s1 1828239954 MLRPLIWJHFFGHO-LLVKDONJSA-N 495.677 2.231 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3csc4c3CCCO4)CC2)CC1)c1cc(O)nc(O)c1 1834986994 QFRKUDMQGKOFCL-UHFFFAOYSA-N 486.594 2.378 10 20 JECD CC1(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)CC1 1835132706 GEFUWAZKIJACMY-UHFFFAOYSA-N 451.571 2.151 10 20 JECD CC(C)N(C)CC(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838111862 UKVXTJOCHGKJGF-UHFFFAOYSA-N 483.613 2.118 10 20 JECD O=C(Cc1c(F)cccc1F)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1838995301 FDVUATJLHPUEIH-QHCPKHFHSA-N 496.894 2.342 10 20 JECD CC(C)(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)cc1 1839342576 GTJYRNOGDHCAAM-VWLOTQADSA-N 485.537 2.054 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348935 VDSCYFRNIJQISW-MHZLTWQESA-N 496.608 2.079 10 20 JECD CC(C)[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)c1ccc(F)cc1 1840095677 QPVHAZCKIOLPDC-WIOPSUGQSA-N 487.528 2.142 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)C2(c3ccc(O)cc3)CC2)C1 1841381970 LSGPXPPXLZIRCJ-YCRREMRBSA-N 450.491 2.457 10 20 JECD Cc1cc(O)c(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)cc1Br 1845482423 YPNHXQFJSQBFEX-UHFFFAOYSA-N 462.300 2.400 10 20 JECD CNC(=O)Cc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726725877 GQVBBOAIWVPHGV-UHFFFAOYSA-N 460.481 2.300 10 20 JECD C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(NS(C)(=O)=O)cc3F)cc2F)C[C@@H](C)O1 728295139 ZIBHXGJOTGJHLY-ZIAGYGMSSA-N 489.566 2.428 10 20 JECD CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCc1ccc(N(C)C)cc1 915314044 UOMJHCPEQSNGLL-UHFFFAOYSA-N 462.572 2.494 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCCS(=O)(=O)NCc3ccccc3)cc2F)C[C@@H](C)O1 918217015 WXTXIYGLKFOOQE-HDICACEKSA-N 478.590 2.358 10 20 JECD O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 919087284 MXMBCCGHPNZMNY-GOSISDBHSA-N 461.534 2.003 10 20 JECD CCN(CC)C(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 920317108 UHYMFFOCFLNVMX-HXUWFJFHSA-N 472.611 2.349 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)cc2)C1 920348600 XYKRCBSWXDFHDP-UPVQGACJSA-N 493.608 2.297 10 20 JECD CC(C)OCc1ccccc1CNC(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O 920638379 YDQUCFCHXNEVIW-UHFFFAOYSA-N 450.513 2.162 10 20 JECD COc1ccc(C)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c1 1777852191 HHJXOSXLCXLGRO-NTKDMRAZSA-N 455.511 2.251 10 20 JECD CCn1nc(C)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778128079 ZFGTUWCOCBSTDI-ATIYNZHBSA-N 492.580 2.132 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)cco1)C2)c1cc(O)c(O)c(Cl)c1 1781121164 HEJXTZPADBNWEM-XMSQKQJNSA-N 462.886 2.146 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004225 UOKWQMZRZOZTSS-HJPURHCSSA-N 495.960 2.204 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007548 HHMRZWJTZIWLKG-JOCHJYFZSA-N 483.949 2.108 10 20 JECD CSc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1O 1785508148 ZNFJMYYGMSEYMB-YFTVHVBSSA-N 486.546 2.388 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CCCO3)CCO2 1785510615 TWDSSXMHNHRWGD-ZWDKTXKMSA-N 480.517 2.285 10 20 JECD Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)nn1C 1787359331 SWQIITZUDBVPOH-UHFFFAOYSA-N 457.581 2.337 10 20 JECD O=C(CS[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1788647393 UKQXJPAZUWKDPP-YWMJBOPLSA-N 492.594 2.056 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1cnc(Cl)s1 1789002709 IWAZUQIPKLJTCU-QRTARXTBSA-N 487.969 2.183 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3coc(Cl)n3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242200 UUDUTMFXYYPSAA-ZSGNIPIJSA-N 456.282 2.300 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cc2cc(F)ccc2[nH]1 1797343121 ZWJQLDZKMVFGJD-XHNJZIHCSA-N 489.507 2.303 10 20 JECD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(C)c1 1799026683 FCBQQYBTKUUCSO-JMJLSGOLSA-N 468.506 2.037 10 20 JECD Cc1cccc(F)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1801662092 JDXFFMCVXKRFPH-NXYNRBCBSA-N 456.470 2.168 10 20 JECD Cc1cc(F)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1801892450 MHRQNWVJDLMKOD-PTWWBONBSA-N 456.470 2.168 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1cncn1-c1ccncc1 1804284038 ZUYLKTPRHXQRLZ-XBMZCVMLSA-N 475.505 2.349 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccnc2S)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991413 HELPNDAJBZVEJM-IFXJQAMLSA-N 451.508 2.205 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3ncccc3[nH]2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999604 MQCOCKICEPPIAE-IVZQSRNASA-N 458.478 2.398 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C(=O)c2ccco2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808465210 RMPFITAUXJDVPJ-FDDCHVKYSA-N 485.500 2.356 10 20 JECD Cc1nocc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808468032 MYLYZRNOWKGQBD-MBSDFSHPSA-N 472.505 2.491 10 20 JECD COc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(O)c1 1811751701 NSRGQGBENCSDIE-QRQCRPRQSA-N 464.478 2.235 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1nc2ccccc2o1 1812095402 RQKNCWOGUABVCW-FOIQADDNSA-N 495.586 2.403 10 20 JECD CC(=O)CCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162013 FALIINBRVRRWOC-XZSBDORCSA-N 453.495 2.287 10 20 JECD Cc1nc[nH]c1CSCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816726344 UAPUIAGXIOZQSQ-GFCCVEGCSA-N 474.568 2.140 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CC[C@H](O)CC1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817367224 STWXIGTYVKNYKN-ZOBUZTSGSA-N 481.578 2.399 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)no1)CC2)c1cc(O)c(O)c(Cl)c1 1823712361 ICNHLDMGGLABON-QMMMGPOBSA-N 450.860 2.441 10 20 JECD Cc1nocc1C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828195704 SNWYPWDNPYVFET-QBODLPLBSA-N 456.480 2.496 10 20 JECD CC(=O)N(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876482 HKBFTZQXPWFMPW-JCOOBLOPSA-N 473.570 2.305 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134227 BAIYXAOPNBOCBD-XZOQPEGZSA-N 477.609 2.397 10 20 JECD CO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839349260 MCODMLCCDKROMS-CJFMBICVSA-N 455.555 2.199 10 20 JECD O=C(CSc1ccncc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432643 URWBATOPLWEYTQ-JOCHJYFZSA-N 493.969 2.009 10 20 JECD Cc1cccc(F)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881644 HUDBORMVUARBQL-VQEXNLMWSA-N 486.496 2.034 10 20 JECD C[C@H](N[C@H](C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)C1CC1)c1ccccc1 1843250838 UOSCCKBYYZLXAD-AOMKIAJQSA-N 450.539 2.439 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1845175868 JXSOSTQYHCVWDQ-CSKARUKUSA-N 465.506 2.276 10 20 JECD CC(=O)c1ccc(OCCCC(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)cc1 1847056603 KWRIXIKFBHSWDL-UHFFFAOYSA-N 489.619 2.112 10 20 JECD COc1ccc(C(=O)NC(=O)COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 20867468 NQTXLQBRYKQUAF-UHFFFAOYSA-N 488.408 2.492 10 20 JECD Cc1ccc(C(=O)OCC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)o1 25522019 PARDKNONYPYFCL-RQZCQDPDSA-N 474.516 2.491 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(F)cc2Cl)cc1C(=O)O 728014769 FQDNDWQQCXRYOX-UHFFFAOYSA-N 466.852 2.048 10 20 JECD CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 744844630 PKMWAJDLZXYLCA-UHFFFAOYSA-N 479.597 2.139 10 20 JECD Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NCc2ccc(N3CCOCC3)cc2)cn1 750867344 RGRFYVQAANHDKZ-UHFFFAOYSA-N 461.569 2.049 10 20 JECD CCOC(=O)c1c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)sc(C)c1-c1ccc(F)cc1 829927895 TXLPOMGUTUGJRK-UHFFFAOYSA-N 499.524 2.425 10 20 JECD C[C@H](OC(=O)[C@]12CCC(=O)N1CCS2)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 916532055 BHFFEADFDRIBID-RKNYENMMSA-N 464.499 2.398 10 20 JECD COc1ccccc1-c1nnc(SCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1N 917147854 MWXDZXHYOXXKEP-UHFFFAOYSA-N 472.546 2.052 10 20 JECD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3O)CC2)o1 917311147 LEFWJCRDWWXDOA-UHFFFAOYSA-N 450.513 2.221 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCCNC(=O)c3ccc(F)cc3F)cc2)C1 917834580 KOCZGWXQYOEBIF-QGZVFWFLSA-N 458.509 2.493 10 20 JECD COc1ccc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1C(N)=O 917918320 NZNGPABAKOHPBH-KBPBESRZSA-N 451.520 2.025 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)N[C@H]1CCCCNC1=O 918096470 SKUUOIDTKVQCRP-FYQHACEVSA-N 468.398 2.435 10 20 JECD O=C(/C=C/c1ccc(I)o1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918643296 JEYFRQROEKRHAG-SOFGYWHQSA-N 486.331 2.449 10 20 JECD C[C@H](C(=O)N(C)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)n1cccn1 918696788 ARWBGNAOARVBBK-OAHLLOKOSA-N 453.465 2.074 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc3cnccc3[nH]1)CCO2 1782005594 QAGJEOUJUNGVRH-JOCHJYFZSA-N 456.886 2.385 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3ccnc4c(O)cccc34)C2)C1 1782510414 GNSRPFDJIWLEFH-UJWGQFCKSA-N 491.500 2.214 10 20 JECD Cc1cc(F)ccc1C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1785251251 STUSARPJRDAAND-RUZDIDTESA-N 464.497 2.371 10 20 JECD O=C(CCc1cncnc1)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1788213464 KLECSSROUIZSIG-UHFFFAOYSA-N 469.592 2.404 10 20 JECD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2)C(=O)c1ccccc1 1793429686 NERDBDCRVMZEGT-QQFNCUIESA-N 487.560 2.190 10 20 JECD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(=O)[nH]c1C 1799619770 CTPWMYOBSFVNPH-IUTQVRIDSA-N 489.576 2.311 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC1CCCCC1)C2)c1cc(O)c(O)c(Cl)c1 1799767163 VULJRGBDIDISAI-YVWYUNDQSA-N 452.935 2.304 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3c(F)cccc3n1)C2)c1cc(O)c(O)c(Cl)c1 1799768375 VKTLDXSFINLHKG-DBWKPXFBSA-N 474.876 2.055 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ccc1F)C2)c1cc(O)c(O)c(Cl)c1 1799769267 XANNHEWCBMIAFA-KSPBDQMDSA-N 450.850 2.113 10 20 JECD Cc1ccn(CC(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n1 1804621164 KUXMXVNZLOHYNN-CJFMBICVSA-N 485.548 2.085 10 20 JECD CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)N(CC)CC 1807994772 ZUHFHFFEUIMTJW-JUXOCIIHSA-N 455.559 2.328 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)Cc3cccc(F)c3)C2)CC1 1809240043 LIXXZMWHAOKAGX-UHFFFAOYSA-N 463.600 2.460 10 20 JECD Cc1nc(C)c(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1814186310 NYXOJAKYKQOFLW-MAUKXSAKSA-N 489.648 2.335 10 20 JECD Cn1ncc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CN4C(=O)CSC4=S)[nH]n3)ccc21 1818762528 DRBUPGCIPPWAQP-QGZVFWFLSA-N 497.606 2.463 10 20 JECD Cn1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)c2cccnc21 1819434959 IZOLYIZNMBPWMQ-LBPRGKRZSA-N 464.507 2.376 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccn3cncc3c2)[nH]n1 1823499963 HRFKDLLSJMJVTM-MRXNPFEDSA-N 483.579 2.224 10 20 JECD COc1cc(F)ccc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1827483973 NENKFFLPZUAIOD-NSHDSACASA-N 494.595 2.377 10 20 JECD O=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)C1CC1 1827715513 VLISSPZHXXHPCX-OAQYLSRUSA-N 450.539 2.378 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)C1CC3(CCC3)C1)CC2 1828249934 LOGGXVVOZSURMQ-GFCCVEGCSA-N 464.638 2.496 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cccn3ccnc23)CC1 1828637091 CHBWZDCAGOJKJF-GOSISDBHSA-N 485.635 2.428 10 20 JECD O=C([C@H]1CCCS1(=O)=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878453 PKJQUCWDNUKYEO-SNPIWTPDSA-N 492.594 2.014 10 20 JECD O=C(c1ccnc(Cl)n1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901868 VDVHKRUGBOYEEX-HNNXBMFYSA-N 482.031 2.224 10 20 JECD O=C(c1ccnc(Cl)n1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901874 VDVHKRUGBOYEEX-OAHLLOKOSA-N 482.031 2.224 10 20 JECD CC(C)(C)c1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)[nH]n1 1835937254 IJNKUIMBTWPLOR-UHFFFAOYSA-N 470.574 2.012 10 20 JECD O=C(c1ccc(F)c(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433617 MGFXGQZTBDAUMY-JOCHJYFZSA-N 482.867 2.413 10 20 JECD CC(C)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1842614206 LPOZXSXMKGUQEW-QGZVFWFLSA-N 461.559 2.393 10 20 JECD O=C(c1cc([N+](=O)[O-])cc2c1OCC2)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038160 BUCPUQUWIBJQMW-HWKANZROSA-N 481.461 2.177 10 20 JECD CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 727242194 WBFLSPVLCNINLH-UHFFFAOYSA-N 454.511 2.427 10 20 JECD COc1cccc(CNC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)c1O 729858699 BESXCSIMEOLOHG-HXUWFJFHSA-N 464.540 2.181 10 20 JECD NS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 825157980 HTXVDKWMWWWGSR-UHFFFAOYSA-N 482.445 2.044 10 20 JECD C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 917834593 KXODCMKHBIVFCG-WINIVTDRSA-N 489.576 2.004 10 20 JECD COCCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 918138043 FEIRRYLEABHCGG-IRXDYDNUSA-N 479.574 2.294 10 20 JECD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918139886 GULVCEMMNCPQFZ-IYBDPMFKSA-N 477.558 2.237 10 20 JECD CC(=O)N[C@H](CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C)cc1 918900710 OOSIDSKXLSGBEI-JOCHJYFZSA-N 471.529 2.398 10 20 JECD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 919840469 QBWHHYPIWIOOSW-UHFFFAOYSA-N 465.597 2.251 10 20 JECD C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(N2CCOCC2)cc1 920879148 JHUGKJJCUSTRES-KRWDZBQOSA-N 477.558 2.174 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(c3ccccc3)CC1)C2)c1cc(O)nc(O)c1 1777846757 UJZGVJMMGYPYMQ-NTKDMRAZSA-N 451.523 2.352 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc2cncn2c1 1779143791 UVFCXVAXODLXLW-WNGUJASGSA-N 492.532 2.292 10 20 JECD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)n1cccn1 1782559519 YLOLZMVLRIJOJF-JPEVHGAISA-N 462.934 2.336 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)CCc1cnc3[nH]ccc3c1)CCO2 1785510655 VUFPGQIAYHMKOV-MXILHCRZSA-N 492.532 2.156 10 20 JECD CCCC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)cc1C 1796139912 WKHIAEZLPJXOKJ-FEJSZKPUSA-N 482.537 2.057 10 20 JECD CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc1 1796480710 GHNDBTBSFKSSKU-IRJINJETSA-N 460.534 2.245 10 20 JECD CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1801896292 FOIGFLJDFMXYJD-HAGNESBASA-N 486.569 2.392 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccccc3)on1)C2 1802078055 ZKEXEYJLLDIILS-RZMQENIISA-N 491.500 2.375 10 20 JECD Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cn1 1804483132 WCUFGSOLZQXNRB-CVDCTZTESA-N 497.646 2.284 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807615383 AQVSYFLOPYQDMT-UZLBHIALSA-N 485.541 2.121 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc3nc[nH]c23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995490 ZJLLNWNAFAXYAP-OYHNWAKOSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccn3nccc3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996207 NKOJPFKHCIQZTE-VGOFRKELSA-N 458.478 2.169 10 20 JECD COc1ccc([C@@H](O)C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)cc1 1810549348 MRZVQVBFZHGARE-OAQYLSRUSA-N 455.511 2.080 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc(-c2ccncc2)[nH]n1 1810879540 BZBDDKFELHPOQO-GAJHUEQPSA-N 485.504 2.306 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)C2Cc3ccccc3C2)[C@@H]1c1cccnc1 1814190908 DQQAJDFEEHSUDK-AUSIDOKSSA-N 494.642 2.363 10 20 JECD CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1815167730 MXQYJDQLVODUBJ-ABAIWWIYSA-N 499.977 2.108 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)c1cc(O)ncn1 1815358323 NYDMDBSGZGVKNB-SFHVURJKSA-N 474.481 2.004 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1ccc[n+]([O-])c1 1816060667 ZPLXSBCKNFQIRG-UGAXZCSASA-N 465.466 2.179 10 20 JECD CC(C)(C)OC(=O)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817847242 PQYNVWOXWSLWQC-CQSZACIVSA-N 460.491 2.047 10 20 JECD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848562 QICKXHOVHCPZIV-BFYDXBDKSA-N 469.498 2.277 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CC2(O)CCC2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818148093 ZGHFOKGBCXUCNQ-LJQANCHMSA-N 464.526 2.500 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1c[nH]c2ncccc12 1818548036 UMKLKRFDZHGDAW-OAHLLOKOSA-N 483.579 2.452 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3cccnc3n1)CC2 1828244508 JNMRAIIELYZCAB-GFCCVEGCSA-N 498.615 2.172 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1c(F)ccc(O)c1F)CC2 1828247203 OWKLENCEUQETMK-MRVPVSSYSA-N 498.558 2.213 10 20 JECD CCn1nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cc1C 1829397627 MUKCVRNYHBXQIC-GOSISDBHSA-N 477.656 2.305 10 20 JECD O=C(CC1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898194 FECFEEUOITWMPJ-SFHVURJKSA-N 467.657 2.283 10 20 JECD CC(C)c1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)co1 1833348642 UHYFWBTZWOSEMR-QFIPXVFZSA-N 479.917 2.246 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3sccc3F)CC2)CC1 1836977960 MSNDEICVVQKRKX-UHFFFAOYSA-N 485.628 2.360 10 20 JECD Cc1nc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)sc1C 1838518234 YHCBGPYLZOCYJP-UHFFFAOYSA-N 496.680 2.232 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)c3F)C2)C1 1839433687 PSYLWMTVWSTKSS-QFIPXVFZSA-N 482.867 2.413 10 20 JECD COC(=O)c1ccc(OCC(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)cc1 1845502544 LHNYMQWRLNUOMW-UHFFFAOYSA-N 474.897 2.434 10 20 JECD CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1846119116 WXZOMXDFHLSWGV-JKNJVXJCSA-N 499.564 2.277 10 20 JECD CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1846311579 LBRNFYLNGUMYLD-INIZCTEOSA-N 462.547 2.107 10 20 JECD CCOc1c(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)cnc2c1cnn2C 1847039085 QRMDNWZKZFCNRG-SOFGYWHQSA-N 493.520 2.014 10 20 JECD O=C(c1ccc(N2CCCCC2)cc1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054411 LPMUFMLBTCTALS-UHFFFAOYSA-N 472.636 2.354 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2(C(=O)Nc3ccccc3)CC2)=NN1c1ccccc1 1847838241 ULNKTUZKUDBUHL-VXKWHMMOSA-N 485.544 2.400 10 20 JECD COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)c3sc4nc(C)cc(C)c4c3N)C2=O)cc1 14152127 SUXLJLBERWAERD-QHCPKHFHSA-N 497.533 2.159 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)cc2F)C[C@@H](C)O1 726277342 MLIOFMWFKVSGIK-KGVIQGDOSA-N 463.598 2.181 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(NNC(=S)Nc2ccc(C(N)=O)cc2)c([N+](=O)[O-])c1 726435168 NETZDHVRMBEDEU-UHFFFAOYSA-N 466.545 2.038 10 20 JECD O=S1(=O)CCN(c2ccc(CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)CC1 726976857 SCIRCBTXNCFHDP-UHFFFAOYSA-N 464.487 2.299 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 731125906 KQKJFYBMGGVVSB-UHFFFAOYSA-N 499.369 2.464 10 20 JECD NS(=O)(=O)Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 748839808 BNNSCCIKSQCSNI-UHFFFAOYSA-N 457.474 2.261 10 20 JECD CN1CCN(S(=O)(=O)c2ccc(NCc3ccc(N4CCOCC4)cc3C(F)(F)F)nc2)CC1 917083838 HNUUTFPTLOCJHH-UHFFFAOYSA-N 499.559 2.485 10 20 JECD CSC[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 917708915 MVEWKGWNMKARAV-QKLQHJQFSA-N 463.575 2.185 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)c1 917913754 SMAUOQCFZIXJKQ-UHFFFAOYSA-N 464.565 2.292 10 20 JECD Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1C 918217917 NEOASCFGKIRXIL-UHFFFAOYSA-N 490.601 2.495 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(C(N)=O)c3)cc2F)C[C@H](C)O1 918286512 INWHURMPOQCSIK-STQMWFEESA-N 462.909 2.447 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1cccc(CN2CCCC2=O)c1 918311674 UDKSDWGKRBVQFT-UHFFFAOYSA-N 450.539 2.243 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 918436743 AMLDDCBJJZMSJW-UHFFFAOYSA-N 488.635 2.279 10 20 JECD CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 918438399 NWMBCEFVWLRECW-UHFFFAOYSA-N 476.624 2.181 10 20 JECD CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 918441376 ZQAFJPYGKRKRHE-UHFFFAOYSA-N 470.545 2.428 10 20 JECD COc1cc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c([N+](=O)[O-])cc1OC 918803240 ADQOUZLHMDNTFI-UHFFFAOYSA-N 477.445 2.061 10 20 JECD Cc1ccc2c(c1)C(=O)N(CC(=O)OCC(=O)NCc1ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c1)C2=O 918989692 ZHDRSQBHMKJAQC-IRXDYDNUSA-N 497.523 2.203 10 20 JECD COc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c(OC)c1 919792145 PLRNHYOZAQZKLF-UHFFFAOYSA-N 468.554 2.208 10 20 JECD CN1CCN(c2ccc(CNCc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)cc2F)CC1 1318340747 SZIXXMJPPYHIEJ-NRFANRHFSA-N 476.618 2.325 10 20 JECD COc1ccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)c(F)c1 1777848233 NFSZFBSFEJUVIO-CJFMBICVSA-N 487.528 2.401 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(CO)on4)C3)C2)cc1 1780394573 BESJMOANUPNHNL-RUZDIDTESA-N 464.522 2.332 10 20 JECD COc1nccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1F 1782002811 WVXCTQJWBINVEU-NRFANRHFSA-N 465.865 2.051 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1782006985 DSWDUPKIQPAVIV-OAQYLSRUSA-N 483.855 2.065 10 20 JECD COc1cccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)n1 1794258985 FPYBAXCRORFPHA-FNLKRUPLSA-N 461.522 2.064 10 20 JECD C/C(=C\c1ccc(C)o1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796480397 BHTXXEMBQXZLFH-PHMXQKNYSA-N 476.533 2.374 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccoc1C(F)(F)F 1796551400 QABHKCKRIPZJRC-HBCWATKFSA-N 490.438 2.295 10 20 JECD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)ncc1[N+](=O)[O-] 1797073875 PUSFECRHXWEDLR-NCSLWMNCSA-N 468.466 2.380 10 20 JECD Cc1ncc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)s1 1801492697 VQLPGUPNIDYGEG-XCRGKXPMSA-N 463.943 2.433 10 20 JECD CCC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1801622911 HYPYXFSHCUIJFX-IYWMVGAKSA-N 472.586 2.322 10 20 JECD COc1ccc([C@H](O)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)cc1 1804283233 OBDHWJLFNVHFJM-GXWVCDHTSA-N 468.506 2.197 10 20 JECD Cc1nc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cs1 1805969012 IESCMWSCARNPRS-RDTXWAMCSA-N 475.621 2.026 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1cc(=O)cco1 1806125761 AJMMRUDGYZYOOD-MHECFPHRSA-N 485.500 2.147 10 20 JECD O=C1CCc2ccc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)cc2N1 1808001269 SIVFZZIKSOGIKH-UUOWRZLLSA-N 487.516 2.406 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3cc(C(F)F)no3)C2)CC1 1810243461 NFTRTKZINDLOQA-UHFFFAOYSA-N 472.539 2.317 10 20 JECD O=C(Cc1ccc2c(c1)OCO2)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810543603 KNXDTIMKBARDNY-UHFFFAOYSA-N 453.495 2.309 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)Cc2cccc(F)c2)[C@H]1c1cccnc1 1814185911 ICWMPKIHDHQICK-JTSKRJEESA-N 486.594 2.330 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2c[nH]c3nccc-3c2)[C@H]1c1cccnc1 1814188856 BYJSCCMOHZSGRA-JXFKEZNVSA-N 494.602 2.089 10 20 JECD O=C(CCc1cnc[nH]1)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817364494 UGIZQKCVXRPHQP-AWEZNQCLSA-N 477.550 2.204 10 20 JECD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)no1 1817364558 VQHPXZHCZDMARN-ZDUSSCGKSA-N 464.507 2.458 10 20 JECD CCn1nc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cc1C 1819909717 RKDIQBGOMXNTHK-HNNXBMFYSA-N 475.600 2.101 10 20 JECD O=C(CSc1nc[nH]n1)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1822711080 AXNGIEZUJJCFIH-QGZVFWFLSA-N 493.553 2.105 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)cn2)[nH]n1 1823497416 YKQVUZAGKKEZIK-CQSZACIVSA-N 462.532 2.110 10 20 JECD Cn1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)c1=O 1827714952 KGDSQRILKZEWTC-HSZRJFAPSA-N 489.576 2.412 10 20 JECD CSCC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1836895140 UGBXZAKMGBWUHH-UHFFFAOYSA-N 451.589 2.494 10 20 JECD Cc1cc(CC(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)on1 1841929561 CTGSXDKTVRGKJT-OAQYLSRUSA-N 497.596 2.447 10 20 JECD CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C(=O)N1CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C1)C2 1843249375 DMQWMUSRHKBOAW-ROUUACIJSA-N 486.569 2.488 10 20 JECD CC(=O)Nc1cccc(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1 1843443319 XLWMUOVWWHNHFQ-UHFFFAOYSA-N 459.506 2.255 10 20 JECD COc1ccc(N2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 108432813 VKLWUALMWDFUIO-UHFFFAOYSA-N 459.568 2.069 10 20 JECD CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1Br 108873820 UYWXTSCLHYGPCD-UHFFFAOYSA-N 482.400 2.466 10 20 JECD COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cc(C(=O)OC)sc3C(=O)OC)n2)c[nH]1 727247130 UMHSXJPOIPCUIC-UHFFFAOYSA-N 485.521 2.360 10 20 JECD O=C(COC(=O)c1csc(-c2cnccn2)n1)NCc1ccc(N2CCOCC2)c(F)c1 728383406 QBTFJQILOJOIGA-UHFFFAOYSA-N 457.487 2.049 10 20 JECD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 747012396 VJNVBJIHVZOYKJ-UHFFFAOYSA-N 476.574 2.128 10 20 JECD C[C@H](OC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C(=O)N1CCNC1=O 913359651 AFSQDKDYYWHBJC-KBICQTFXSA-N 453.567 2.213 10 20 JECD CN(C)CCN1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 914444879 DUTPLXOJZIVDOF-ICFOKQHNSA-N 452.671 2.435 10 20 JECD O=C(COC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)Nc1cccc2c1C(=O)c1ccccc1C2=O 914974626 RAIXPCVQSGNMNT-GFCCVEGCSA-N 474.391 2.355 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)cc2F)C[C@H](C)O1 917711538 NDFARHOOMDQTRD-OALUTQOASA-N 480.540 2.127 10 20 JECD Cc1cc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1Br 918569385 YYALPQJGCFOBHV-HNNXBMFYSA-N 482.400 2.280 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)COc3ccccc3C=O)cc2F)C[C@H](C)O1 918858519 IBNHUUZWOGHTQQ-IRXDYDNUSA-N 458.486 2.490 10 20 JECD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CC2)cc1 920881117 CPQPHRRNSDSXPI-OAQYLSRUSA-N 486.638 2.015 10 20 JECD Cc1c(NC(=O)c2cccc(NC=C3C(=O)N(C)C(=O)N(C)C3=O)c2)c(=O)n(-c2ccccc2)n1C 920976708 QEZVCGCQPNWBRT-UHFFFAOYSA-N 488.504 2.083 10 20 JECD Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 928982841 ZSIPMRMOPJUTAE-BKUYFWCQSA-N 452.490 2.387 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CC1(CC(=O)N2CCOCC2)CCCC1 1317776350 RHIRTUSHDHYREX-UHFFFAOYSA-N 459.587 2.454 10 20 JECD Cc1cccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)n1 1778126660 IAHSHFUYBCMSBC-YIXXDRMTSA-N 489.576 2.239 10 20 JECD O=C(Cc1c[nH]c2ccccc12)N1CC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1781007421 DCYZUUHYXWYXQW-MHZLTWQESA-N 485.544 2.333 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)c(O)cc3O)C2)C1 1781475333 SWAVZFRWLJBYBZ-KFVKGYIZSA-N 490.896 2.025 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1782003806 MJCLXCSVCVXJLF-HXUWFJFHSA-N 453.829 2.182 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1ccc3cnccc3n1)CCO2 1782005540 MFKUQTNILHHZSA-HSZRJFAPSA-N 468.897 2.452 10 20 JECD O=C(Cc1ccc(F)c(C(F)(F)F)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783016718 XVAMZLDJNGEDHO-OAQYLSRUSA-N 483.418 2.337 10 20 JECD CCCc1onc(C)c1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785505806 QAJSJNGDENNSJB-YFTVHVBSSA-N 471.510 2.209 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1)CCO2 1785539741 HBDQOLXNJHCUTC-HOIFWPIMSA-N 494.038 2.134 10 20 JECD Cc1occ(C(F)(F)F)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1787665800 FZZVIODAYCFFTN-WHOFXGATSA-N 469.416 2.320 10 20 JECD CN(C)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cc1 1792217776 KXWMZPCQIBNLTI-ZYNMFJCASA-N 481.549 2.176 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3Cc4ccccc4C3)C[C@@H]21 1792221431 ZHUHFHKYRQEQLF-XDVNFZHTSA-N 478.545 2.211 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc(Cl)nc1 1792365349 BRJXWBKIJMYZSB-FVCICTRLSA-N 452.294 2.317 10 20 JECD CC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796749546 GRQAYBJXURWEJI-FDKIHUSFSA-N 474.602 2.114 10 20 JECD Cc1nc[nH]c1CSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796934457 GOPRRYPFLAQPES-GGPHIMKMSA-N 480.594 2.382 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)ccc2[nH]1 1797996223 CTWHHCCRTXDWML-QDMKHBRRSA-N 460.556 2.419 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc(Br)cn1 1798032770 RTUCXAUVIFAFQD-DPIQGUFMSA-N 496.745 2.426 10 20 JECD COC[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800513909 XVYMPUQUWCWTQC-IGABQKFOSA-N 466.582 2.497 10 20 JECD CC[C@H](C)[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S)c1ccccc1 1802104298 AIRUTEVWNKUKTC-WDOPAGCPSA-N 489.663 2.266 10 20 JECD COc1ccc(CCC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cn1 1804265723 PPHAPASIWWWSJO-HOYKHHGWSA-N 477.521 2.244 10 20 JECD CC(C)(C)n1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)n1 1805043517 LFHCAGPHBQXPGI-IERDGZPVSA-N 464.526 2.473 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807997656 CFYYCGIUDNHPKM-IIMJZQEZSA-N 485.541 2.121 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCN2CCOCC2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803414 JEIPXGMGWHBNRY-VGOFRKELSA-N 488.972 2.188 10 20 JECD C[C@H](Oc1ccccn1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1813406558 ITIBIORIIDZQIZ-YHEJKZAPSA-N 463.494 2.070 10 20 JECD O=C1CC[C@@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CN1 1814524315 FZGRWWNJANXTDR-IAQYHMDHSA-N 461.906 2.306 10 20 JECD CC(C)N[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)C(C)C 1817453282 CNADXJLNDHGDPY-BEFAXECRSA-N 480.660 2.285 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2c(c1)OCCO2 1817980694 ULWHUVREMUEVQL-CYBMUJFWSA-N 468.491 2.260 10 20 JECD C[C@H](Nc1nccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1818091762 KDMDGHJIMZNTET-WCQYABFASA-N 493.640 2.219 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCN2CCOC2=O)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147279 WRLHHMYGQJNMNL-LJQANCHMSA-N 493.524 2.037 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cc(O)ccc3F)sc2C1 1823290084 ZMTYSQFRALIFIS-VIFPVBQESA-N 480.568 2.074 10 20 JECD C[C@]1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)CC1(F)F 1823404278 ZKTOEMVVNGKDLD-PIGZYNQJSA-N 457.528 2.307 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)C2CC(F)(F)C2)[nH]n1 1823497736 YSCGGGDLJKSQEJ-LBPRGKRZSA-N 457.528 2.307 10 20 JECD Cc1nccn1[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823501528 SZLLWCBRZCOMAK-DOMZBBRYSA-N 475.600 2.028 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)CC(F)(F)F)CC1 1826680879 ZNDCEPFYGDCXAT-ZDUSSCGKSA-N 451.536 2.419 10 20 JECD Cc1nn(C)c(C)c1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1826851324 SFHQBKMIQYNNCV-FUVBFXSKSA-N 497.577 2.478 10 20 JECD NC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)c1ccccc1 1826980537 GWEIXOLCKLPQMI-UXHICEINSA-N 488.679 2.209 10 20 JECD O=C(c1ccc2ncnn2c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827427905 DIXVDVLTAHUXRM-SFHVURJKSA-N 450.499 2.083 10 20 JECD O=C(/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)NC1CC1 1827716206 FNTCOFATXJMJPG-GBJNBNQZSA-N 491.592 2.234 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CCCc3ccncc3)CC2)CC1)c1cc(O)nc(O)c1 1834985571 KGIFJOAYDCKSDV-UHFFFAOYSA-N 467.570 2.096 10 20 JECD COC[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1841662841 PRRRJBPKZPQYMM-WMZOPIPTSA-N 491.585 2.020 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCCN2C(=O)c2ccncc2)C1 1842395973 AOVDNZNVFNEIKF-IBGZPJMESA-N 496.564 2.446 10 20 JECD COc1ccc(/C=C(\C)C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)cc1 1847055188 KWPWDTUKLPDVBY-XNTDXEJSSA-N 459.593 2.162 10 20 JECD CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(O)nc(O)c2)CC1 1847286117 KMLVCSOZEOXFJC-HOTGVXAUSA-N 478.521 2.047 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@@H]2COc3ccccc3O2)=NN1c1ccccc1 1847758435 OKPWZYSKAUMFDQ-GIVPXCGWSA-N 474.517 2.211 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)c3cnn(C)c3)c2C)c1 12851591 SOWUWFOTZAIJIH-UHFFFAOYSA-N 453.451 2.441 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CCc3c(C)nc(SC)[nH]c3=O)CC2)cc1 46699578 KENQOZHOFORRNF-UHFFFAOYSA-N 459.616 2.070 10 20 JECD CCS(=O)(=O)N[C@H](CCSC)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 107982271 SCKCRGYWHAKRPW-QGZVFWFLSA-N 483.578 2.219 10 20 JECD COCCOc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 726726791 QIKHXIOMLUCUTE-UHFFFAOYSA-N 464.469 2.432 10 20 JECD COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 746989527 KUJGZJSXVCAYAB-UHFFFAOYSA-N 455.511 2.352 10 20 JECD CN(C)C(=O)C1CCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 913625767 GNBLBAPZXVZFPN-UHFFFAOYSA-N 476.511 2.042 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)Cn3nc4ccccn4c3=O)c2C)c1 914686400 ULVJMAZKXCZDHY-UHFFFAOYSA-N 462.462 2.360 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc2F)C[C@H](C)O1 917012130 DOLVQOHEIQIQTQ-ROUUACIJSA-N 486.548 2.181 10 20 JECD COc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C(N)=O 917912329 REPKTPJQVGZPNZ-UHFFFAOYSA-N 473.473 2.128 10 20 JECD CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918642481 BYYOXAVYTKIUKK-JOCHJYFZSA-N 472.611 2.062 10 20 JECD CC(C)(C)C(=O)N1CCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 919784638 QZALJEXRURNAHP-UHFFFAOYSA-N 483.592 2.342 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCCS(=O)(=O)c3ccccc3)cc2)C1 921201423 NQPRWUIXFKXLPE-LJQANCHMSA-N 458.584 2.052 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3ccccc3F)C2)C1 1780478694 CPMBUKRCHGOYDM-XMMPIXPASA-N 450.470 2.062 10 20 JECD C[C@H](Nc1nccs1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782001417 KDVFNSARMUHOCV-YUNKPMOVSA-N 466.947 2.152 10 20 JECD Cc1ccn2c(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)c(O)c(Cl)c5)CCO4)C3)cnc2c1 1782487708 IISYOMFIPUMWJZ-QHCPKHFHSA-N 470.913 2.465 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H]1C1CC1)C2 1783218422 OPEWPFMOZAXWST-DKIORKDZSA-N 456.539 2.377 10 20 JECD C[C@@H](Sc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1784419634 HKBAEDMYABIEMS-ZREFOWHASA-N 485.562 2.222 10 20 JECD Cc1nc2ccncc2cc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785505950 UWHJLWZRRVUNPG-SDYFHRIUSA-N 490.516 2.212 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)cc1)CCO2 1785544796 AQOBHEUJHOBNDH-LJQANCHMSA-N 487.525 2.009 10 20 JECD Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)n1 1787537230 GZFFIPYOFZVNPL-APTRMMRNSA-N 489.576 2.095 10 20 JECD COc1cc(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)c(C)c1 1790205850 BRNCIUWXXGYSQZ-SNRMKQJTSA-N 455.511 2.025 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)c(F)c1)C2)C1=NN(c2ccccc2)C(=O)C1 1796481253 WSTMLVBIUZLEGO-MFKICJERSA-N 484.915 2.475 10 20 JECD CSCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799622534 RVTVGQIUAQMKQF-MQFRRQCYSA-N 471.623 2.411 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(F)F)cn1)C2)c1cc(O)c(O)c(Cl)c1 1799767533 WJFLQIHBCYZMKW-DPIQGUFMSA-N 483.855 2.265 10 20 JECD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1802257511 IFNBYLNPTMKVLC-WUCQSGCMSA-N 472.538 2.434 10 20 JECD CN(CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)C(=O)OC(C)(C)C 1804339973 DUZNDDSUEHJGST-MUJYYYPQSA-N 498.671 2.132 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)C1=COCC1 1813596950 VOYAIFODGGNXPJ-VYHZTRRPSA-N 451.479 2.222 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)c1ccco1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817358518 YYJGRKCLIPUJSD-XCLFUZPHSA-N 479.518 2.175 10 20 JECD Cc1nn(C)c(C)c1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848469 LPSDHFJQPWDIID-KRWDZBQOSA-N 453.503 2.115 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cnc4ccccc4n3)sc2C1 1817960416 REQKBMJGBWWXOW-NSHDSACASA-N 498.615 2.172 10 20 JECD O=C([C@H](O)Cc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429423 KWTHPHLZUAGVNW-LEWJYISDSA-N 453.539 2.330 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1cnccn1)CC2 1828199686 CUMQGCHJRVSHKZ-DFQUBYPTSA-N 479.518 2.389 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cnoc1C1CC1)CC2 1828242865 SWYAYZOEUIKWEK-SNVBAGLBSA-N 477.593 2.095 10 20 JECD COc1nc(C)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900043 BHOLQPICXBSMCD-SFHVURJKSA-N 490.651 2.492 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900490 VEYVWOWJNBWAAO-QFBILLFUSA-N 490.651 2.329 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cnc2c(Cl)cccn12 1834960956 YWCUZQLIXPSGAV-UHFFFAOYSA-N 498.971 2.293 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](O)CC3)CC2)CC1 1838111537 AGRCATJJLKBPRE-XUTJKUGGSA-N 496.608 2.329 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cc(Cl)cc3nn[nH]c23)C1 1844752316 QXHRGFDFMUGDIZ-HWKANZROSA-N 469.885 2.259 10 20 JECD Cc1cc(C(=O)CN2C(=O)N[C@H](CCS(C)(=O)=O)C2=O)c(C)n1-c1ccc(Br)cc1 16544357 RJBYKKUHYNUDJC-QGZVFWFLSA-N 496.383 2.394 10 20 JECD COc1ccc(S(=O)(=O)N2CCN(Cc3c(O)ccc4ccncc34)CC2)cc1[N+](=O)[O-] 21967667 XUBRMDHORZQWOB-UHFFFAOYSA-N 458.496 2.364 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)[C@H](C)Oc4ccccc43)CC2)cc1 28635892 YZSAXJFJRTXPSD-IBGZPJMESA-N 452.555 2.138 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(CCN4[C@@H](C)CC[C@@H]4C)CC3)CC2)cc1 729586285 GSHLVRCDTGAHQT-ZEQRLZLVSA-N 486.705 2.407 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)nc12 743124364 XVEZAWFPEKGOHK-UHFFFAOYSA-N 452.383 2.063 10 20 JECD Cc1ccc(F)c(NC(=S)NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1 743554743 HMIOLHYWFLKDOU-UHFFFAOYSA-N 469.520 2.377 10 20 JECD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 745298485 KSTGYZUPFYJYIW-HXUWFJFHSA-N 497.548 2.020 10 20 JECD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 745298932 RVLMQGDJOFMIIK-UHFFFAOYSA-N 480.565 2.365 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCN(c2cnccn2)CC1 916632574 ZTIJQIUTDOKKLE-UHFFFAOYSA-N 450.465 2.364 10 20 JECD Cc1cc(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1-c1ccc(Cl)cc1 916834705 VJOURTSZBNMSOT-UHFFFAOYSA-N 455.902 2.352 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(CN4CCOCC4)CC3)cc2F)C[C@@H](C)O1 917061245 ZMWNDHFBWFKFLG-BGYRXZFFSA-N 462.610 2.100 10 20 JECD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 918294726 UAAIDLNNHIPZDP-UHFFFAOYSA-N 487.534 2.412 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCn3cnc4ccccc4c3=O)cc2F)C[C@@H](C)O1 918921340 KXHYFYROJBPISS-HDICACEKSA-N 496.539 2.399 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NC[C@H]1CCN(C2CC2)C1 919785464 ZNRNSTFUYPPIIZ-LJQANCHMSA-N 453.566 2.226 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 920031523 FMSXPMDMWNQNSN-CYWQWNIESA-N 476.577 2.285 10 20 JECD C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)C[C@@H](C)O1 920194894 KZQHJBQZAIPGHP-RTBURBONSA-N 480.565 2.028 10 20 JECD COc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C(=O)N(C)C)cc1OC 920926423 NVBSZWOOUZZLMH-INIZCTEOSA-N 484.553 2.058 10 20 JECD COc1ccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1OC 1777849134 MTEHSFOOTJSZSR-QFQXNSOFSA-N 499.564 2.270 10 20 JECD CCN(CC)C[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1782695993 UUEOGQHFMLZLAZ-IVZQSRNASA-N 453.967 2.173 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)cc1 1785107195 VLGWNKBDOFHMPS-HSZRJFAPSA-N 473.913 2.467 10 20 JECD Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)sc1C 1785507260 MAPQBRZEPSNUAP-UKKYDJSUSA-N 459.524 2.034 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOc3ccccc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539020 FIDIHNLXBKCTGM-APTRMMRNSA-N 490.560 2.228 10 20 JECD C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1788237375 SPBAYEAOLXIJBE-SFLIQHQYSA-N 452.555 2.195 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1792992807 BZYJOIBTIUYWPL-LJGDNWOOSA-N 497.976 2.115 10 20 JECD O=C1CSc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(O)nc(O)c3)C4)ccc2N1 1796728615 YYJGXORHULMABM-QDMKHBRRSA-N 454.508 2.103 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(-c2ccccc2)nc1 1798365477 RBKHCOFAMCEQSQ-BBIADKPPSA-N 460.490 2.072 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1799619873 HDVPHPDDVKKJRW-ZGDJDIHISA-N 466.582 2.212 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1OC(F)F 1803775049 NIFOYGRAXOROSZ-CLLJXQQHSA-N 469.535 2.400 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)[C@@H](O)Cc1ccccc1 1804291698 VERCESLJIKNFGZ-DQKVDQNHSA-N 452.507 2.058 10 20 JECD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)n(-c2ccccc2)n1 1804333469 MIKZEQMTGLLEMD-VBUUOAMHSA-N 483.619 2.293 10 20 JECD Cc1ccn2ncc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c2c1 1807992965 FLCGQROWKMOEOC-UZUQRXQVSA-N 472.505 2.477 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccn3cncc3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996150 MHBWTAPTXOMOHP-JTSKRJEESA-N 458.478 2.169 10 20 JECD CCc1cnc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1810558816 GZHBWUNLGDOUBA-KDOFPFPSSA-N 489.648 2.280 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(O)ccc1F 1810901171 QMYCVSCMBCDXJH-SZNDQCEHSA-N 452.442 2.366 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)c1cc(O)no1 1810984099 TZUBXHFRBXRNHA-XIKOKIGWSA-N 458.858 2.473 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1814993463 PMNKQNNQXHPAPQ-YPMHNXCESA-N 454.512 2.071 10 20 JECD Cc1nnc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)s1 1815914601 VSFCMABLKQTTEM-AWEZNQCLSA-N 457.516 2.315 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1cnccn1 1816366025 MPFGCFDTOIXAFX-YERXGYGTSA-N 450.455 2.336 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728501 RIJVKCQEADWQRT-AAEUAGOBSA-N 455.496 2.038 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1818121765 LEYJSKUYPVCXNB-YWZLYKJASA-N 479.541 2.062 10 20 JECD CNc1nsnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146000 QCRFWVKQZZKRNS-MRXNPFEDSA-N 493.553 2.402 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cc2ncccn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146186 VHHDZSFUUZGFSB-LJQANCHMSA-N 472.509 2.227 10 20 JECD Cn1ccc2c(O)ncc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cc(O)nc(O)c3)CC4)c21 1821177802 HIXWEBKBJGUUOZ-LLVKDONJSA-N 480.506 2.081 10 20 JECD Cn1ccc(=O)cc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1821313592 GHFDTSHUZXRVQT-LLVKDONJSA-N 474.926 2.446 10 20 JECD Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)no1 1828200809 RTXHMZNRZGALBU-LPZVBRGNSA-N 470.507 2.424 10 20 JECD CC(C)c1cc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)no1 1828242181 BSPSZZMEPHRQJJ-JTQLQIEISA-N 479.609 2.341 10 20 JECD Cc1ccnc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)c1 1832902809 XMWMQMCVJYCVAP-SFHVURJKSA-N 460.625 2.484 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4ccccc43)C2)C1 1840881064 AZJUWIVTLAKVAD-DHKGWFALSA-N 494.544 2.003 10 20 JECD COc1ccc(/C=C(\C)C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)cc1 1845835499 YRJFBSZAHYFDOG-XNTDXEJSSA-N 459.593 2.162 10 20 JECD O=C(c1cccc(OC2CCOCC2)n1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038209 DKXCFLDCOHQGGK-SOFGYWHQSA-N 495.532 2.287 10 20 JECD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1 726562792 PULRJKAXKLRMMJ-UHFFFAOYSA-N 461.584 2.327 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)cc2)C1 751098027 NEUCGQNCKZQYMV-OAHLLOKOSA-N 473.459 2.313 10 20 JECD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)c1ccc(O)c(O)c1)n2C 916618097 GBHPWUAILAOPPW-UHFFFAOYSA-N 489.550 2.374 10 20 JECD COc1ccc(N2CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)cc1 917822275 MJVLDTCOSCRBLP-HXUWFJFHSA-N 458.946 2.061 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc2)C1 918121984 JSGYCOQFPQAVTH-IBGZPJMESA-N 466.542 2.328 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1cccc(Cn2cccn2)c1 918440533 SAZUBJGCEUHPNO-UHFFFAOYSA-N 451.502 2.287 10 20 JECD O=C(Nc1ccc(CN2CCOC2=O)cc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 919663541 HOSNCRQLIXGWDS-FQEVSTJZSA-N 453.495 2.491 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1cc(N2CCCC2=O)ccc1F 919664395 BEYKKVOFRQNSNJ-UHFFFAOYSA-N 472.492 2.308 10 20 JECD CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 919779740 XDYKGCQTCBBYKW-OAHLLOKOSA-N 450.536 2.131 10 20 JECD O=C(CNC(=O)NC1CCCCC1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919855510 UUQGQJGPACRKRE-UHFFFAOYSA-N 469.565 2.190 10 20 JECD COc1cccc(CC(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)c1 921073278 WCFARJHJIBHFJS-UHFFFAOYSA-N 470.545 2.267 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3ccc(F)cc3F)C2)C1 1780828404 ULLJFNINQWCTGK-GTYDBAGRSA-N 460.433 2.239 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1 1782168330 RLUDYVYUAAVGIR-DEOSSOPVSA-N 497.939 2.398 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)cc1 1782960856 UPFOLTHPXQTTSI-RDGATRHJSA-N 485.606 2.115 10 20 JECD Cc1nc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)cs1 1783219806 CXSUWZUGOXNGJB-XHDSPZKDSA-N 487.578 2.338 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)c3ccccc3o1)CCO2 1785503219 CUEIONWOHOYCKL-WHVGEVHXSA-N 492.484 2.067 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)c3F)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540086 BUOZEJAOOURFNR-XERREHJYSA-N 482.487 2.351 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cnc2ccc(F)cn12 1790473846 PCMJZTQESQQYIP-ODYMNIRHSA-N 488.903 2.445 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)CCN3CCCC3)CCC2)cc1 1792315356 GGXLHWYEUBFDSI-UHFFFAOYSA-N 460.625 2.467 10 20 JECD Cc1c(F)cccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1792683552 SOQPCTYCVLOITR-NXYNRBCBSA-N 456.470 2.168 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccc2ccc([N+](=O)[O-])cc21)c1cc(O)nc(O)c1 1793408677 WMTGPQOTWODKML-BJWYYQGGSA-N 465.466 2.308 10 20 JECD O=C(Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1795254732 QYOOGDVOXIHYIA-MRSFGVLCSA-N 480.952 2.265 10 20 JECD CCc1c(Br)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)nn1C 1796408752 QANKRBPOXLRRBK-CLLJXQQHSA-N 478.347 2.117 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccncn1)C2 1796749102 MAAUREPQEREDIR-XAPVIXHLSA-N 494.596 2.447 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccnc2ncccc12 1799978522 PFIODMFFYJRLOI-HBCWATKFSA-N 468.897 2.211 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cccc3nccn23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998260 CCJYIVZTMPUNQA-AOMKIAJQSA-N 458.478 2.169 10 20 JECD Cc1nn(C)cc1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808463569 DBFNIPIJYHHUTJ-YADARESESA-N 485.548 2.236 10 20 JECD CCc1cc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)n(C)n1 1808469231 KMHNGUPZSRUTFD-CLOONOSVSA-N 499.575 2.490 10 20 JECD Cc1nc(F)ccc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1811135584 QCBTVVHOVDLDOD-QRWLVFNGSA-N 487.582 2.104 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cccnc2Cl)[C@@H]1c1cccnc1 1814184788 FXPNMXMHJRLBLK-RDTXWAMCSA-N 490.010 2.310 10 20 JECD COc1ccc(OCC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1 1816720390 PRPXDZPXAVUUMU-CYBMUJFWSA-N 470.507 2.263 10 20 JECD O=C(CCc1cc(F)ccn1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816721043 DMWHCVWPKLASRX-CQSZACIVSA-N 457.487 2.342 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccc4n[nH]cc4c3)sc2C1 1816754199 AOCXIDMGDMHZAS-GFCCVEGCSA-N 486.604 2.106 10 20 JECD O=C(CCc1cccnc1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1817635794 KULIXESBRXXKHP-INIZCTEOSA-N 472.596 2.290 10 20 JECD COC(=O)CSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818145819 KGLUTCSUOKKFPF-GOSISDBHSA-N 498.565 2.101 10 20 JECD COc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)cc1 1822225334 BFLSSXXDCWKZBZ-GFCCVEGCSA-N 476.605 2.238 10 20 JECD CCOc1ncccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823496512 IPMABTYFUQEKSY-OAHLLOKOSA-N 488.595 2.370 10 20 JECD O=C(c1[nH]nc2ncccc12)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902471 NBNDDYWJOWFWNB-MRXNPFEDSA-N 486.623 2.052 10 20 JECD Cc1nccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)n1 1835219163 UDAHBIKMYKDHAK-UHFFFAOYSA-N 473.961 2.349 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccn(C)n4)C3)C2)cc1 1839348435 SKIQOLWZMRXOGX-MHZLTWQESA-N 491.592 2.140 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ccnc(Br)c2)C1 1844417085 IFBURFYXQSFVSI-UHFFFAOYSA-N 482.338 2.454 10 20 JECD Cc1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(-n2nccn2)c1 1844761539 ZEZOYVFWNDCDGQ-VMPITWQZSA-N 475.505 2.223 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)COc3ccc(O)nn3)C2)cc1 1845772733 ADHJGYGHFYLECB-UHFFFAOYSA-N 461.522 2.486 10 20 JECD O=C(c1ccc(OC(F)F)cn1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847033859 LSQSKSGENPSUOF-XVNBXDOJSA-N 461.421 2.330 10 20 JECD COCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1847475431 VXEBGMZMWTXEFJ-HKBOAZHASA-N 474.602 2.333 10 20 JECD O=C(COC(=O)c1cccc(O)c1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 25454443 CDPYLPBNELYHOK-GIJQJNRQSA-N 486.527 2.295 10 20 JECD COc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc(OC)c1OCC(N)=O 108286117 MQEJDFSFLYKXSD-HUUCEWRRSA-N 475.517 2.251 10 20 JECD CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)n2)c(F)c1 798156389 HMSLWRYIEWFLJY-UHFFFAOYSA-N 470.529 2.356 10 20 JECD Cn1cc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1C(=O)O 912980467 GUCGWWRDZOIZOK-UHFFFAOYSA-N 493.519 2.096 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCCN(C[C@H]4CCCO4)CC3)cc2F)C[C@@H](C)O1 917052732 MLDBSACXANVNNT-RZUBCFFCSA-N 462.610 2.242 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 917385961 FEWBFFPBAWCTJL-UHFFFAOYSA-N 460.625 2.352 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2F)C[C@H](C)O1 917708647 DHNUWXHEUZTCPR-ROUUACIJSA-N 491.585 2.390 10 20 JECD CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 919030826 JQMOPXUQLFLLJM-NRFANRHFSA-N 477.558 2.338 10 20 JECD Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 920868457 FHUMHFVBVCHBEJ-QGZVFWFLSA-N 491.614 2.295 10 20 JECD Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(-n2nccn2)c1 1782007417 REFKGJPPEGFHDL-XMMPIXPASA-N 497.939 2.398 10 20 JECD Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)oc2ccccc12 1785541209 XGEOGNFILFTOSR-QFIPXVFZSA-N 473.576 2.045 10 20 JECD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)C(=O)OC(C)(C)C 1786625172 HDOVMBHDGWORLU-YEWWUXTCSA-N 497.976 2.211 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3c[nH]c4ccc(F)cc34)C[C@@H]21)c1cc(O)nc(O)c1 1787294931 DOECLCHKMFRVAF-ZRCAFCQKSA-N 482.512 2.339 10 20 JECD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1)n1cccc1C=O 1790243321 HNZOIUSZJMMBLV-CXIBIASBSA-N 475.929 2.220 10 20 JECD Cc1cc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)ccn1 1793915188 QOCVIOAAKIZSHV-UPHUGPLXSA-N 459.930 2.291 10 20 JECD CC(C)(C)OC(=O)N1CCC=C(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1794134710 IGAGKZAHTRKUDP-BCDXTJNWSA-N 472.542 2.312 10 20 JECD O=C(CN1CCCC1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1802560306 HYGORRCRLVJXLW-OENDTSTASA-N 466.538 2.013 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC2(CCCN(C(=O)CN3CCSCC3)C2)CC1 1804823189 HNYDRRUCQKZUGV-HWKANZROSA-N 475.611 2.097 10 20 JECD CC(C)NCCC(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1807322995 GGMXWFGGMUXZJV-NBGIEHNGSA-N 476.581 2.268 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)nn1C(F)F 1807994520 HINDYVDFXYWVCY-LIRRHRJNSA-N 472.452 2.421 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3cccnn3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808000624 NWGSHYLIBONZIB-AOMKIAJQSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccccc2-n2nccn2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808000758 QKVNHZJDWOAQQP-UZUQRXQVSA-N 485.504 2.102 10 20 JECD COCC1(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)CC1 1814162513 SXWKYFSPQZWEDT-SHXHPMEISA-N 467.522 2.344 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cccc3[nH]ncc23)[C@H]1c1cccnc1 1814189809 ZNSMSRGUJUGBSL-BTYIYWSLSA-N 494.602 2.138 10 20 JECD CC(C)N(C)CC(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828199911 GTBHQWDOVVCCOA-KVEVGEHQSA-N 460.556 2.226 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2F)CC1 1829463630 QJYXBKNXPAFGBM-MRXNPFEDSA-N 464.588 2.314 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)C(F)(F)Cl)CC1 1832021746 MFYJJHDCYMKBMV-LBPRGKRZSA-N 453.964 2.298 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1832483284 KJRKGALNAIYSIX-JXKFMYIUSA-N 464.566 2.291 10 20 JECD O=C(COc1cccc(Cl)c1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833197885 DCHFVVHKBLVZNU-UHFFFAOYSA-N 488.972 2.410 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C(F)(F)C(F)F)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835134583 JTFVOJSGXPPABN-UHFFFAOYSA-N 497.493 2.251 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncccn4)C3)C2)cc1 1839348808 NEURYEDVBSPABY-AREMUKBSSA-N 475.549 2.268 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ccoc3cn1)CCO2 1839486081 AGAUJXJZYWHITJ-QHCPKHFHSA-N 487.896 2.276 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc4n(n3)CCNC4=O)C2)cc1 1842564185 YHMMCBKJYVXRRF-UHFFFAOYSA-N 472.549 2.165 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)CCN2Cc3ccccc3C2=O)C1 1843871103 JSUQBNBBRYPTPU-UHFFFAOYSA-N 485.544 2.029 10 20 JECD COC(=O)c1ccc(CC(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)s1 1845000063 LZEXFFZIOLKMPU-UHFFFAOYSA-N 480.546 2.074 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847036772 CGJBUHMMBYUMRR-SYJIQKIWSA-N 487.553 2.420 10 20 JECD Cc1ncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)[nH]1 1847910285 DQUVATCPJPKLQJ-GIVPXCGWSA-N 482.585 2.252 10 20 JECD COc1ccc(N2CCCN(c3ccc(S(=O)(=O)NCCN(C)C)cc3[N+](=O)[O-])CC2)cc1 108091302 OTAVEGDGTZWALZ-UHFFFAOYSA-N 477.587 2.160 10 20 JECD O=C(CNS(=O)(=O)c1ccc(Cl)s1)NCc1ccc(N2CCC(O)CC2)c(F)c1 725887008 ADQZERLOXJHEFN-UHFFFAOYSA-N 461.968 2.096 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c([N+](=O)[O-])c1 726967789 AFKZUMPEAHIANR-UHFFFAOYSA-N 496.611 2.472 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCS(=O)(=O)CC4)C3=O)c2C)cc1F 729153265 IUCXFLUXSRLEMU-UHFFFAOYSA-N 461.515 2.224 10 20 JECD CC(C)Cn1c(N)c(C(=O)CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)c(=O)n(C)c1=O 731036929 STTCRGPWCZMIES-UHFFFAOYSA-N 499.612 2.445 10 20 JECD COc1ccc(N2CCN(CCNC(=O)NC[C@@H](c3cccs3)N3CCN(C)CC3)CC2)cc1 743363247 OSHPGNWLMDVNDE-QHCPKHFHSA-N 486.686 2.167 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(C(=O)NC(C)(C)C)c3)CC2)cc1 743432544 PRHCXJZCKZXNQV-UHFFFAOYSA-N 481.597 2.100 10 20 JECD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 745299148 XWSNHUWNYKDDSR-UHFFFAOYSA-N 494.592 2.395 10 20 JECD CN1CCCc2cc(CNC(=O)CNS(=O)(=O)c3ccc(Br)s3)ccc21 749850007 JVKLVVVAAFEOFU-UHFFFAOYSA-N 458.403 2.488 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnc(CN4CCCC4=O)o3)cc2F)C[C@H](C)O1 917165746 ZKYNZCARCRNMIQ-GJZGRUSLSA-N 477.562 2.353 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)CC2)cc1 917650905 QVXFJCVZKVLMQY-UHFFFAOYSA-N 476.574 2.210 10 20 JECD O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCc1ccc(N2CCOCC2)c(F)c1 917708922 NHNKTSLTBSFWAP-UHFFFAOYSA-N 476.302 2.337 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCN3CCN(c4ccc(F)cc4)CC3)cc2)C1 918117116 HFCZJMPDHAHEHU-NRFANRHFSA-N 482.604 2.149 10 20 JECD COc1cccc(N2CCN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)c1 918118082 UZPOJYAXLKZIQV-HXUWFJFHSA-N 451.571 2.429 10 20 JECD COCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 918141404 WJZLDFFPKQDCHY-IAGOWNOFSA-N 479.574 2.294 10 20 JECD O=C(COC(=O)CSc1ccc2c(c1)OCCO2)NCc1ccc(N2CCOCC2)c(F)c1 918878388 ATHCLTLZKJERTF-UHFFFAOYSA-N 476.526 2.385 10 20 JECD Cc1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127956 SGCYYZHEPIZYBY-ATIYNZHBSA-N 475.549 2.310 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)cc1 1781754541 ZWHVRXCIHYMTEV-WIOPSUGQSA-N 485.606 2.115 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3ccnc4c(O)cccc34)C2)C1 1782503221 CYXIZLBUNDYTJY-HHHXNRCGSA-N 499.527 2.177 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC(O)C1 1793013899 JCPRUDJQQYMUJD-YKOHZIBZSA-N 486.613 2.114 10 20 JECD O=C(Cc1ccccc1Cl)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1795228394 IEEYRMGNRYYNEV-MRSFGVLCSA-N 480.952 2.265 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cc(-n2ccnc2)ccn1 1796932891 BEEBVWKGDRWWRW-ZHPFXUNLSA-N 483.532 2.312 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cnc1O)C2)c1cc(O)c(O)c(Cl)c1 1799766982 KRXMXIRTHRVBNP-CULMDFNYSA-N 468.293 2.022 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc3c1CCCO3)C2 1802080131 MCKRSNHLVXMRQL-KSFLNHNRSA-N 486.546 2.107 10 20 JECD O=C(C(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1)c1ccco1 1806828529 ZLRXNEHTWFTOKE-UHFFFAOYSA-N 462.506 2.486 10 20 JECD CC(=O)Nc1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cc1 1807995259 FWALXDNMSBLLPV-UQBPGWFLSA-N 489.532 2.409 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)no1 1808468846 ZXCSFDMBTUWYGW-JPYJTQIMSA-N 472.505 2.491 10 20 JECD Cn1cc(CCC(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)cn1 1810027203 JOVSFYVEIKDBMC-VMPITWQZSA-N 468.554 2.414 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)ncn2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811796803 LLMWSRTZZPBKOG-BFUOFWGJSA-N 469.885 2.275 10 20 JECD O=C(CC1(O)CCC1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813639425 MMLPFMHSXBOJIX-IAADTXTGSA-N 467.522 2.223 10 20 JECD Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)n1 1816396825 RPMAHXUXHNTFBE-HNNXBMFYSA-N 458.569 2.279 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc[nH]c3nccc1-3)CC2)c1cc(O)nc(O)c1 1816725116 KPCAADHLJGUPRB-NSHDSACASA-N 450.480 2.317 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816727215 HAWPBYBXGLUYKH-GFCCVEGCSA-N 477.543 2.088 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@H]1CCCSC1 1823458779 NBLPYHFPLOFHOK-GXTWGEPZSA-N 467.642 2.405 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823475514 UMKWHBAXMGIUKH-PXPBSWCZSA-N 471.514 2.099 10 20 JECD O=C(c1cn2cccnc2n1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428061 ZSLFVZLOWPIVCI-GOSISDBHSA-N 450.499 2.083 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(Cl)ccn1)CC2 1828244580 KKAYXOKUEUYYOB-SNVBAGLBSA-N 482.012 2.278 10 20 JECD O=C(Cn1ccncc1=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740481 OZPLIPCRDKABII-GOSISDBHSA-N 474.945 2.241 10 20 JECD Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)nc2nccn12 1830928993 OKKIUZPJTORWIL-LJQANCHMSA-N 464.526 2.391 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC(OC2CCN(C(=O)c3ncccn3)CC2)CC1 1837503862 BWKVXZXEECTUSZ-UHFFFAOYSA-N 460.918 2.467 10 20 JECD Cc1ccc(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1840881633 HDNQQZQZVVJCGP-AQBQYSGMSA-N 482.533 2.204 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)C1=COCC1)C2 1843331510 FGGVGPFFEVGIMR-HXUWFJFHSA-N 470.570 2.212 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCC(=O)N(C)CCc3ccccn3)cc2F)C[C@@H](C)O1 727476220 PWAFTWBJIBEHMR-HDICACEKSA-N 457.550 2.335 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)NS(=O)(=O)c3cccc(S(C)(=O)=O)c3)ccc21 728765146 JAYABDSIPYYSMS-UHFFFAOYSA-N 464.565 2.427 10 20 JECD CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)NCc1ccc(N2CCOCC2)cc1 729600739 UTQQPZHVJPHXGE-UHFFFAOYSA-N 461.607 2.217 10 20 JECD Cc1cc2[nH]c(=O)c(C(=O)O[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cn2n1 750211553 YUXPPNMIWHBFPY-ZDUSSCGKSA-N 470.441 2.290 10 20 JECD Cc1nc2ccnn2c(C)c1CCC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 917316668 CSXSMSZBDKSLGE-UHFFFAOYSA-N 469.517 2.114 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cnn2cccnc12 1778960488 ZABLXOBFCOIOJW-WZONZLPQSA-N 485.928 2.235 10 20 JECD COc1cccc2[nH]cc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=C/c5ccc(O)c(O)c5O)C4)C3)c12 1785510098 MFBPGYJAEJNJDO-WHVGEVHXSA-N 493.516 2.450 10 20 JECD COc1cc(C)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785510308 VGGFBGOGMSWDIY-BFHGXFJZSA-N 468.506 2.277 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cc2ccoc2cn1 1790328347 QVXDICBUYKNKLM-LAMWMMHXSA-N 479.489 2.251 10 20 JECD Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792218702 MRLFIRAEKWHIMT-AOPCHSIOSA-N 482.533 2.184 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccnnc2O)cc1 1798384512 LKRMHRLIOQYWAK-HATOLVCRSA-N 461.522 2.107 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2sccn12)c1cc(O)c(O)c(Cl)c1 1799096412 WVQCNBHUZBDKLA-CLLJXQQHSA-N 474.926 2.386 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cc(C(F)(F)F)c[nH]1 1804333367 IDAWIOGCYTZBIF-ZSBIGDGJSA-N 460.503 2.146 10 20 JECD O=C(/C=C/c1ccco1)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1804616537 QHQUOSGFDDYHAI-KYNLDRKZSA-N 470.576 2.254 10 20 JECD Cc1[nH]nc(C(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)c1F 1805119027 PLMTWSSHCKXEAX-HXOBKFHXSA-N 489.511 2.365 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3ncc(F)cc3F)C2)CC1 1806345227 YMNHJXKKUIZTFE-UHFFFAOYSA-N 468.551 2.065 10 20 JECD Cc1nc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)co1 1808467694 JKYPSWVLVLTANN-WZONZLPQSA-N 472.505 2.491 10 20 JECD C[C@@H]1CCc2c(C(=O)NC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)[C@@H]3c3cccnc3)n[nH]c21 1809258594 XFUFCKOHMDTQJI-VWVPQACVSA-N 498.634 2.034 10 20 JECD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1810244405 QXZBYGSCKKFISZ-FRIZHTMISA-N 489.960 2.173 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811806321 KGPLPUBWJQJJQK-JXFKEZNVSA-N 468.897 2.413 10 20 JECD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720396 QGZNJMJTGPTRGU-DGXRNCNBSA-N 471.451 2.390 10 20 JECD O=C(Cc1cnc2ccccn12)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720551 XVNYCEKEJPIOQM-ZDUSSCGKSA-N 464.507 2.066 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2)c1cc(O)nc(O)c1 1816729352 SLGWZERZMANVJR-LLVKDONJSA-N 471.451 2.103 10 20 JECD Cc1nc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)ccc1F 1823495919 FLLJJXJSSVAZRP-OAHLLOKOSA-N 476.559 2.418 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823501199 PNWMCRHCDADNHO-CVEARBPZSA-N 478.644 2.135 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3CCCS3(=O)=O)sc2C1)c1cc(O)c(O)c(Cl)c1 1824937719 XBIWIUAHLKABLF-ZUZCIYMTSA-N 485.971 2.011 10 20 JECD O=C(NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)c1ccco1 1827185112 AKGTZPWALBFPAK-XSBJJCPUSA-N 497.548 2.459 10 20 JECD Cc1nc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)no1 1827714709 HNMDVOAHKOPAFB-NRFANRHFSA-N 478.553 2.333 10 20 JECD O=C(CCn1cncn1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717390 DGAFOGNEJYYZGT-JOCHJYFZSA-N 477.569 2.081 10 20 JECD C[C@@](O)(CC(=O)O)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717443 HXDBZVBTKQRWAG-LVXARBLLSA-N 498.580 2.015 10 20 JECD COc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)s1 1828240520 WHAFODVGASAPDF-VIFPVBQESA-N 482.634 2.299 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccncc1Cl)CC2 1828244382 DXXYFXISEJAMBT-SECBINFHSA-N 482.012 2.278 10 20 JECD COc1cccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)n1 1832896957 VNAQJAADNZZEEW-SFHVURJKSA-N 490.651 2.113 10 20 JECD Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1 1835085541 BOUSYZKHDWJXRN-XMMPIXPASA-N 474.941 2.372 10 20 JECD C/C=C/C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251760 VGNQWFADQFSUFG-UABRLCRWSA-N 459.543 2.313 10 20 JECD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)CCOC1 1845501898 PBVXZRWWXMDXFV-HSZRJFAPSA-N 495.960 2.252 10 20 JECD O=C(c1cc(Cl)c2nncn2c1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037159 DOSKGLSKAIMYQO-HWKANZROSA-N 469.885 2.030 10 20 JECD COc1ccc(N2CCN(C(=O)C[S@@](=O)Cc3nc(Cc4ccccc4)no3)CC2)cc1 731104691 WILRINOVMUVYQP-YTTGMZPUSA-N 454.552 2.267 10 20 JECD COc1ccc(CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 781351438 XNGLESQZIOFNAG-JOCHJYFZSA-N 459.612 2.409 10 20 JECD COCCN1C(=O)/C(=C(/C)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C(=O)NC1=S 814330510 UKYRRNUZSJPQFK-AQTBWJFISA-N 468.491 2.401 10 20 JECD CN(CC(=O)NC1CC1)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 914438369 UKWVLNGJFVFKBI-RIYZIHGNSA-N 468.398 2.387 10 20 JECD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1 915748895 OMAULTBPGVOYMJ-UHFFFAOYSA-N 476.533 2.294 10 20 JECD COc1ccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1OCC(N)=O 915749099 QNFXXOBJDKJTJK-UHFFFAOYSA-N 464.522 2.264 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)N[C@H]1CCCCNC1=O 918096471 SKUUOIDTKVQCRP-GFAPJHNFSA-N 468.398 2.435 10 20 JECD CS(=O)(=O)c1ccccc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 918277098 LQEXQOOPALBUSB-UHFFFAOYSA-N 485.484 2.200 10 20 JECD Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2=O)cc1 918831128 WIOQQACASVRDFI-NRFANRHFSA-N 483.540 2.179 10 20 JECD O=C(O)c1csc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919729458 GSEQQLAHEKPLKA-UHFFFAOYSA-N 477.543 2.181 10 20 JECD COc1cccc(OC)c1OC1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 919815824 DZJIEZKDJLATEC-UHFFFAOYSA-N 450.513 2.465 10 20 JECD CCN(CC(=O)Nc1cccc(OC)c1)C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 920255142 RMQYZCBFYOWNTO-OUKQBFOZSA-N 480.565 2.396 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2CCN(Cc3cccc4ccccc34)CC2)c1 920637497 HLOVCRUSJAUWBG-UHFFFAOYSA-N 497.573 2.418 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccn4ccnc4c3)C2)C1 1778568259 UKIMLUCMHCPNDF-JOCHJYFZSA-N 456.886 2.156 10 20 JECD O=C(CSc1ccncc1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782003492 KJEKXYSRPWKCLH-OAQYLSRUSA-N 463.943 2.382 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cnc4ccc(Cl)cc4c3)C2)C1 1782272364 JHZRKBCUJXHDQT-QHCPKHFHSA-N 468.897 2.452 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)cc3F)C[C@@H]21 1792217994 MOPPRVYJIDFILF-YYGFXEKPSA-N 488.487 2.317 10 20 JECD C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796600724 GRYMKSVQOJFJHV-JFMONLCZSA-N 474.558 2.248 10 20 JECD CC(C)(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)NC(=O)OC(C)(C)C 1796601043 RSYFFTLAUNNQIB-MUJYYYPQSA-N 462.547 2.438 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cc(Cl)ncn1 1796934605 MPGSUUHUZQIGMQ-RBVVOMGSSA-N 452.902 2.175 10 20 JECD COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(O)c1 1799575162 FEDVPMARJPXHRM-OVYMSRNUSA-N 454.479 2.483 10 20 JECD CO[C@@H](C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccccc1 1806450042 YLSBDVIZPZCQNQ-YUXAGFNASA-N 498.630 2.335 10 20 JECD CC(C)(C)n1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cn1 1807989501 BJHQDAFRYNPYKR-HRAATJIYSA-N 464.526 2.473 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccn3nccc3c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996208 NKOJPFKHCIQZTE-VGSWGCGISA-N 458.478 2.169 10 20 JECD CN1N=C(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)CCC1=O 1811797368 DJSLPBBRGXMKDG-XOBRGWDASA-N 485.928 2.074 10 20 JECD CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1813882614 CEIUVHJMVUJMHM-SBUREZEXSA-N 475.505 2.480 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cnoc2C2CC2)[C@H]1c1cccnc1 1814186115 LQOVYALSXSPBQG-BEFAXECRSA-N 485.591 2.127 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)[C@@H]1c1cccnc1 1814190324 WUTPKAQPJPIQNQ-RIFZZMRRSA-N 458.609 2.304 10 20 JECD Cc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)ncc1[N+](=O)[O-] 1817622984 JUJYILOEWZCAIR-LLVKDONJSA-N 470.467 2.101 10 20 JECD Nc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)sc2nccnc12 1817845033 VFHYQZZGUGXDSR-LBPRGKRZSA-N 480.510 2.423 10 20 JECD Cc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)c(C)n1C 1821117935 JPPLQHJODRKRTC-GFCCVEGCSA-N 477.637 2.185 10 20 JECD COC1(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)CCC1 1823073335 GELVTFOOPACIMX-AWEZNQCLSA-N 465.601 2.221 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2Cc3ccccc3O2)[nH]n1 1823500116 PXPCCMNOWOMZAU-RDJZCZTQSA-N 485.591 2.266 10 20 JECD O=C(CCc1ccsc1)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1834828130 BJYUFWVXMUYDJP-UHFFFAOYSA-N 494.708 2.113 10 20 JECD CCc1cc(C(=O)NC2CCN(C3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)no1 1835983814 MOFUUNHZLIKSAT-UHFFFAOYSA-N 492.580 2.215 10 20 JECD CC(C)(C)OC(=O)N(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O)C1CC1 1847350059 QCCJCDUUDXAVCI-CGNNYBMUSA-N 487.553 2.418 10 20 JECD NS(=O)(=O)c1ccc(CN2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1 726628108 YJMPNAXYXDWTNQ-NVNXTCNLSA-N 451.507 2.349 10 20 JECD O=C(Cn1nnc(-c2ccccc2)n1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 727109937 PINYVYUNYULNIC-WOJGMQOQSA-N 494.558 2.086 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)c4c(F)cccc4F)CC3)CC2)cc1 727941208 PJGRHHDFCMFCKS-UHFFFAOYSA-N 487.551 2.263 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)CC2)cc1 743432807 SPLCQJIFRRADTG-UHFFFAOYSA-N 487.551 2.451 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)CNC(=O)NCc3ccc(C)cc3)CC2)cc1 849192460 NRMIKDUHGSQRAK-UHFFFAOYSA-N 453.587 2.131 10 20 JECD CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1=O 917713523 RUHQEHZZJAUMAP-IAGOWNOFSA-N 468.529 2.252 10 20 JECD CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 918456763 NICNAPDOTOXXCP-UHFFFAOYSA-N 463.582 2.270 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3Br)cc2)C1 918463863 NBHXMHNINCSQNA-OAHLLOKOSA-N 459.344 2.406 10 20 JECD Cn1c(=O)nc(O)c2c(C(=O)NCc3ccc(N4CCSCC4)cc3)cc(C3CC3)nc21 918617207 LFOBLPSSVQLLBT-UHFFFAOYSA-N 451.552 2.395 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1Cl 920311617 JAGHKUFMUWMHFG-UHFFFAOYSA-N 456.926 2.055 10 20 JECD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CC1 920957459 FJSLTCMRTPYRLD-DAXSKMNVSA-N 476.467 2.420 10 20 JECD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc(O)n1 1778041808 NKLTZCHNSFSTST-NPRSQMDMSA-N 483.521 2.053 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccc2ccnn12 1781227121 MAPVLHPOFCTXCX-ZYHKADTASA-N 492.532 2.292 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc(C(F)F)no1)CCO2 1782002777 VQLLKQUATVIAIV-LJQANCHMSA-N 457.817 2.434 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)[C@@H]1CCCOC1 1783217359 YCVZFKRRSOCHEM-JPEVHGAISA-N 452.935 2.305 10 20 JECD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cnc1C 1785515015 IXUJPTLWBYJHIE-DRQHBJNOSA-N 467.522 2.122 10 20 JECD CN1CCCC[C@H]1C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1786154219 OUZDDJNDWBPXGK-KRWDZBQOSA-N 460.625 2.465 10 20 JECD O=C(Cc1noc2ccccc12)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1787007756 HJXVAVRZELKCPF-WXABNLIOSA-N 493.516 2.180 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncsc4[nH]3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539453 GKZBTZYJYYWNEQ-UVFQYZLESA-N 492.561 2.011 10 20 JECD O=C(CN1C(=O)CSC1=S)NC1(c2ccc(NC(=O)c3cnn4cccnc34)cc2)CCC1 1789253111 DUDPWDWWKHSDNM-UHFFFAOYSA-N 480.575 2.337 10 20 JECD O=C(COC(=O)C(F)(F)F)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1789460284 AAQSUEWDMNSUBL-UHFFFAOYSA-N 489.497 2.086 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cccc(-n2cncn2)c1 1790250596 NPTAZTRZUQQJLC-XERREHJYSA-N 497.939 2.239 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)CCC(=O)N3CCCC3)CCC2)cc1 1792314165 ZYZYQRHEYAVZEF-UHFFFAOYSA-N 488.635 2.383 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@@H]1C[C@H]1c1ccc(F)cc1 1792805693 CMVCEVFTXLBQKZ-SBJZBLMYSA-N 490.535 2.312 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc(C(F)(F)F)c1)C2)c1cc(O)nc(O)c1 1796140627 RDJHHUWDFSKCOL-IVWMJMPLSA-N 469.391 2.168 10 20 JECD CC(=O)N(C)[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1796455422 HIRMXBDAVQNUKU-IVDSKFSHSA-N 466.582 2.164 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccccc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796481272 NREKUZULXQEIAA-ITZSLQJVSA-N 458.518 2.082 10 20 JECD CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1cccnc1 1796600766 BHWDJOWIZBRDQV-NYUBLWNDSA-N 497.552 2.406 10 20 JECD COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1806587711 KTRLYDHJUMDNKX-JPYJTQIMSA-N 498.630 2.199 10 20 JECD Nc1nc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cs1 1807236706 LYVOFTJFOCZZSL-CVCWVKEYSA-N 481.534 2.270 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccccc2-n2nccn2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808000755 QKVNHZJDWOAQQP-HXOBKFHXSA-N 485.504 2.102 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)N(C)C(=O)OC(C)(C)C 1808001893 ZHUCMQCJKDNBTP-CEQIKUNHSA-N 499.568 2.463 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)C1 1813022874 CXOHRLZVBLVVKG-UTAOTPEMSA-N 482.537 2.187 10 20 JECD Cc1cnn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)c1 1817649199 DQDIEBCUCFDNMO-DBWMJRBXSA-N 466.498 2.437 10 20 JECD CC(C)(O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146344 CENCWGDPTNMFMS-SFHVURJKSA-N 452.515 2.356 10 20 JECD CCc1nc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)co1 1819898147 KWASLFJAUXLYIZ-ZDUSSCGKSA-N 462.557 2.126 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)C3Cc4ccccc4C3)sc2C1 1828416407 AJESIWZTWBHQKL-HNNXBMFYSA-N 486.644 2.330 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)cco2)CCO3)cc1 1834606272 RJTCALSFTVJPTJ-MHZLTWQESA-N 491.544 2.431 10 20 JECD Cc1ccnc(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)c1 1835132698 FCNUGBFRLYHOOX-UHFFFAOYSA-N 488.592 2.368 10 20 JECD Cc1cncc(CCC(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1837161868 ZGBXOSISECAPHT-UHFFFAOYSA-N 468.554 2.441 10 20 JECD C/C(=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2)C(=O)O 1839349282 MWXTZTYIBPGAGV-GKHWQOBXSA-N 481.549 2.195 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N3CCCC34CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)c21 1844638029 WIIXIFATADANMY-UHFFFAOYSA-N 456.886 2.474 10 20 JECD COc1c(Cl)ccnc1C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1844793192 OHNQXRIUGJUXMY-UHFFFAOYSA-N 467.913 2.354 10 20 JECD O=C(c1ncn(-c2ccccc2)n1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501204 NQGBNYVVWVIJDW-UHFFFAOYSA-N 453.886 2.463 10 20 JECD Cc1cc(C(=O)COC(=O)CNC(=O)CC2CCCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 725989856 YVYCQJKIKSYXMB-UHFFFAOYSA-N 475.567 2.164 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N[C@H](CN3CCOCC3)c3ccccc3)CC2)cc1 742947616 JKKFAZYWJGWAPN-RUZDIDTESA-N 467.614 2.190 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)CC2)cc1 743287387 ZDEVKHHDHHULQB-UHFFFAOYSA-N 465.554 2.288 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC2)cc1 746177644 QHXPZNDOAYVKEE-UHFFFAOYSA-N 452.508 2.233 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1F 747010958 KEBQAQQJDPBZLT-UHFFFAOYSA-N 450.536 2.223 10 20 JECD CNS(=O)(=O)c1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1 918199542 GKLDEPBWCVYZOY-OKILXGFUSA-N 470.592 2.408 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 918217333 BTJGQZPCGNXIPO-UHFFFAOYSA-N 480.537 2.018 10 20 JECD COc1ccc(C)cc1-n1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 920886134 DAJIAMUQMSVYMK-UHFFFAOYSA-N 454.552 2.354 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1occc1Br)C2)c1cc(O)nc(O)c1 1777848524 XBUALXFBBXZZDZ-JLTOFOAXSA-N 480.315 2.290 10 20 JECD CN(C)c1c(F)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1F 1777852769 SZWBBBQHGKIPHN-HOYKHHGWSA-N 490.507 2.278 10 20 JECD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)N1CSCSC1 1779144333 CGXSQXHVHMGDOJ-ZUOKHONESA-N 488.031 2.238 10 20 JECD COc1ccsc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785507265 MCMNXYLBBWWDBV-YXMLYAQVSA-N 460.508 2.030 10 20 JECD Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1787553669 LTHBCMVXFWCQNJ-ZVZYQTTQSA-N 495.561 2.227 10 20 JECD O=C(CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2)Nc1ccccc1 1793069086 BILLZYYIRZJOQY-BCDXTJNWSA-N 488.635 2.294 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccccc3F)CC1)C2)C1=NN(c2ccccc2)C(=O)C1 1796482627 KUSOVDIWIKVWSF-MRSFGVLCSA-N 490.535 2.240 10 20 JECD COc1cccc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1800686549 DFSYDFAZDJNDDW-UFPKZOBQSA-N 480.517 2.128 10 20 JECD C[C@H](Nc1cccnc1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807155683 OKLDSSLPDCNWCI-LBUQITIBSA-N 462.510 2.103 10 20 JECD O=C(O)c1cc(C(=O)N2CCCC3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)C2)ncn1 1807579051 RZHIYINKBKPBIY-UHFFFAOYSA-N 474.901 2.398 10 20 JECD O=C(CNC(=O)c1ccco1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1807593397 JPZZYVHPNUFQTF-BTYIYWSLSA-N 498.923 2.489 10 20 JECD CC(C)N1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807998064 HRSSEBWDIWFQNL-JLMWRMLUSA-N 453.543 2.080 10 20 JECD CN1CCC[C@H](C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)C1 1808470359 WIWBXWYAVAHJLV-STWLZBDKSA-N 488.592 2.222 10 20 JECD O=C1CCc2ccc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)cc2N1 1812265922 FBXMGBPSEVLQGG-MHECFPHRSA-N 487.516 2.406 10 20 JECD COC(=O)C1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)CC1 1812690876 YOIHYZBAPRZCLK-KBXCAEBGSA-N 473.913 2.419 10 20 JECD O=C(COc1cccnn1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1813388646 JOJZNDMLOWXCGA-YCRPNKLZSA-N 483.912 2.335 10 20 JECD CC1(C)CC(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)C1 1814193013 ZRMGEBPQOQBOAZ-KXBFYZLASA-N 460.625 2.384 10 20 JECD Cc1nn(C)c(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)c1F 1817364174 PIFGOVXOELKZDJ-CYBMUJFWSA-N 495.540 2.343 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1nc2ccccc2[nH]1 1818494014 OEJKTVUJMIARTJ-HNNXBMFYSA-N 483.579 2.452 10 20 JECD Cc1n[nH]c(C)c1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1823126370 RMIZWPATZJILIA-OAHLLOKOSA-N 491.577 2.431 10 20 JECD Cc1cnc(C(=O)NC2CCN(C3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)s1 1834060783 BUCAAZLIPYIVGX-UHFFFAOYSA-N 494.621 2.430 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cocn2)CCO3)cc1 1834511714 SVCZRVGQCMLSTL-VWLOTQADSA-N 464.522 2.466 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc4c(c3)COC4)CC2)CC1)c1cc(O)nc(O)c1 1834987680 URERBSOAEVNJRO-UHFFFAOYSA-N 466.538 2.022 10 20 JECD CN1CCCC[C@@H]1C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1836725054 DHTJAKFRPSPXCJ-HSTAZWAASA-N 487.597 2.300 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)CC2)CC1 1836831349 JSXURHBDFGJEBQ-JOCHJYFZSA-N 494.548 2.298 10 20 JECD Cc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)cc1 1837728461 SCCZIEPNPRRWLE-UHFFFAOYSA-N 489.663 2.396 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)CC1 1838029806 JQZBFEXIEKNLFZ-UHFFFAOYSA-N 492.536 2.204 10 20 JECD Cc1n[nH]c(C)c1C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838110474 MQNXOEHLPCBCMH-UHFFFAOYSA-N 492.580 2.432 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H]1C[C@@H]3CC[C@H]1C3)CCO2 1839916295 MJJSALRRYBMZSF-YHVVPRCASA-N 486.565 2.099 10 20 JECD C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1839933332 LSQLWFFHRXRVAZ-KIVJQPFTSA-N 496.560 2.467 10 20 JECD Cc1cn2c(=O)c(C(=O)N3CCCC34CN(C(=O)c3cc(O)c(O)c(Cl)c3)C4)cnc2s1 1843785452 CTQCRHWRTZPCCC-UHFFFAOYSA-N 474.926 2.260 10 20 JECD COc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1S(=O)(=O)N1CCOCC1 109460578 KPZYEPSWDLDGMG-UHFFFAOYSA-N 459.568 2.029 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)C[C@@](O)(c3nc(C)cs3)C(F)(F)F)nc12 725928404 DEJRBCKCTFPYIJ-QGZVFWFLSA-N 474.417 2.260 10 20 JECD COC(=O)c1ccccc1-c1ccc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)o1 727178348 VWHRBTPTULRULJ-WJDWOHSUSA-N 466.562 2.484 10 20 JECD C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 728948602 KPZBJBVXNSYSMA-MRXNPFEDSA-N 483.535 2.036 10 20 JECD COC(=O)c1cc(NC(=O)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)ccc1Cl 915744395 CQDVKVYPSMDJBB-UHFFFAOYSA-N 488.972 2.402 10 20 JECD COc1cc(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1OCC(N)=O 916631554 JHANMLSLYGYXNL-UHFFFAOYSA-N 496.486 2.414 10 20 JECD COc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)ccc1OCC(=O)N1CCOCC1 916837056 UMADTMHCDJLGBA-UHFFFAOYSA-N 473.545 2.198 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(CC(=O)Nc4ccccc4)CC3)cc2F)C[C@@H](C)O1 916974486 KLGPCUHVBRQEEB-NHCUHLMSSA-N 497.615 2.312 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)Nc1cccc(-c2nnc3n2CCC3)c1 920939809 NEILRCGCPFQEJF-UHFFFAOYSA-N 466.567 2.448 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)cc2F)C[C@@H](C)O1 921031702 PXHYLTOYEAFIPF-IYBDPMFKSA-N 496.630 2.435 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)C1 1778069079 GKMRFEYJTWRNQO-QFIPXVFZSA-N 457.914 2.322 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)cc1 1779386971 MKGWUAYALILDFB-DEOSSOPVSA-N 478.509 2.483 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccnc3-c3ccc(F)cc3)C2)C1 1780349185 MGWNQSWKMQUYKO-RUZDIDTESA-N 478.480 2.451 10 20 JECD CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)cc1 1780467651 BIBUKDJLNIQCOM-WZONZLPQSA-N 475.636 2.237 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)c3cc(F)ccc3F)C2)C1 1780485776 FIYYZYOJBVHMPR-DEOSSOPVSA-N 468.460 2.201 10 20 JECD CCOc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)c1 1780509920 PLJQYHMJMKWLSS-WZONZLPQSA-N 491.635 2.073 10 20 JECD Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)cc1F 1780616440 FFXWTOQDIASBOS-RUZDIDTESA-N 464.497 2.371 10 20 JECD CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781121445 WQTMWLBTGXUFDY-UDBGPPTHSA-N 453.967 2.252 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnn3cccnc13)C2)c1cc(O)c(O)c(Cl)c1 1781122825 SCXNVVJTXVMYOA-WZONZLPQSA-N 485.928 2.235 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nc4ncccn4n2)CCO3)cc1 1781752974 DRXHUIJDFBKAEB-SANMLTNESA-N 485.548 2.289 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)[C@H]1CCc2ccccc21 1782308795 MMJSTSRFWNTBIJ-WZOHSFFVSA-N 451.523 2.350 10 20 JECD C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2)Oc1ccccc1 1782879542 LDUFFZQMZWNLIR-DCFHFQCYSA-N 490.560 2.467 10 20 JECD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1)c1cccs1 1783246727 GSYFYFGKLRNFOF-CMPZQBNXSA-N 481.665 2.226 10 20 JECD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1ccc(Cl)cc1 1783797843 JWQZJQVJNGBSNC-KCMWZYNZSA-N 496.054 2.284 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCCC1(F)F)CCO2 1785503845 SEMLGKCZIFNOBN-PZPVZQRNSA-N 466.481 2.472 10 20 JECD C[C@H]1CCc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C[C@@H]43)n[nH]c21 1787952675 DHOJQZVVOWMDEN-LLXPTAGJSA-N 474.945 2.431 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1ccc(O)c([N+](=O)[O-])c1 1796932952 GIZXITVPMJKBDI-VBUUOAMHSA-N 477.477 2.345 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)OCO2)C1=NN(c2ccccc2)C(=O)C1 1797303045 ZVDZNJCZEZNDMD-GGPHIMKMSA-N 460.490 2.460 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1ON=C(c2ccccc2)O1)C1=NN(c2ccccc2)C(=O)C1 1798325799 MVIVLZFUKWNVEP-FGFYRLLUSA-N 487.516 2.152 10 20 JECD CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)N(CC)CC 1803699958 SGSMPAIUNDFUIE-KPLVRAHFSA-N 455.559 2.328 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)[C@H]1COc2ccccc2O1 1804199073 ZMJSURHXOYBVQS-LERMDLETSA-N 476.489 2.047 10 20 JECD COc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804336120 XECKWNMQACAWTG-BTTYYORXSA-N 468.000 2.461 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1ccon1 1805996587 VYXJYWRBOXFJSA-HTAPYJJXSA-N 458.478 2.182 10 20 JECD Cc1noc(N)c1C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808467650 JDVHJPCDSFTIRV-JTSKRJEESA-N 487.520 2.073 10 20 JECD COc1ccsc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1811161778 HRXAZCUGHSOLOS-KDOFPFPSSA-N 490.632 2.332 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)C1CCC(O)CC1 1813198559 MJQROGSJQNOZTM-UQVXRDOXSA-N 481.549 2.469 10 20 JECD O=C(COCc1ccccc1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1814514751 WENDWUZQSLMQRI-OAHLLOKOSA-N 454.508 2.392 10 20 JECD CC(C)(C)NCC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362064 GBWGTNUMJVYTKV-CQSZACIVSA-N 468.583 2.236 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1819585253 VJPSYJKNDCZQEO-NHYWBVRUSA-N 461.906 2.471 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cc2ncccc2[nH]1 1821390343 DSGMCTLNAIWZQA-MRXNPFEDSA-N 483.579 2.452 10 20 JECD O=C(CC1(O)CCC1)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1823037535 SNAQZDXUWNMJHK-LJQANCHMSA-N 464.526 2.500 10 20 JECD Cc1onc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c1C 1823496569 KJWJBCHAOSWYNN-CYBMUJFWSA-N 462.557 2.181 10 20 JECD O=C(CN1CCCC1=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823709104 YXTQNWYNLAYEMV-NSHDSACASA-N 464.931 2.056 10 20 JECD COC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714956 DJCLIJFNGLNNGS-OAQYLSRUSA-N 468.554 2.352 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1cn3cccnc3n1)CC2 1828198515 GXECKBSKSMPZAD-LPZVBRGNSA-N 492.517 2.242 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)C(C)C)CCO3)cc1 1830871780 BBVPTGUZRPPDOG-BVAGGSTKSA-N 469.582 2.181 10 20 JECD Cc1ncsc1C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1834225960 QERPRVZTFQLHKK-HWKANZROSA-N 486.594 2.467 10 20 JECD Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)CCO3)no1 1839348791 MMYWDPSIVYOCAX-SANMLTNESA-N 493.564 2.098 10 20 JECD COc1cccc(Cl)c1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056725 ZUCFVXBYWIUJMB-UHFFFAOYSA-N 453.973 2.026 10 20 JECD CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)sc2C)s1 727249035 KOGQFKFBILBEHU-UHFFFAOYSA-N 486.622 2.264 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CNC(=O)NCc3ccc(Cl)cc3)CC2)cc1 727544522 OBTHFFRQEXPLBC-UHFFFAOYSA-N 474.945 2.040 10 20 JECD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(N2CCCCC2)cc1 742475449 ADPGLAKLDZPWIH-QFIPXVFZSA-N 493.651 2.075 10 20 JECD CC(=O)Nc1cccc(-n2nnnc2SCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 917214541 GKHMGSYIPMIIBW-UHFFFAOYSA-N 485.545 2.005 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)c4ccsc4)CC3)cc2)C1 918122443 KWARMWVPYSPICA-GOSISDBHSA-N 455.584 2.117 10 20 JECD CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 918310540 MCVUOACQMWOEJN-UHFFFAOYSA-N 458.946 2.476 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1occc1CS(=O)(=O)c1ccccc1 918340770 ULWCINOLIKGGLY-UHFFFAOYSA-N 488.587 2.418 10 20 JECD Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 919565755 KVLCGGDISKMACD-UHFFFAOYSA-N 460.600 2.371 10 20 JECD C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(N2CCOCC2)cc1 920868221 ANGZANZQUVHTTC-GOSISDBHSA-N 476.574 2.439 10 20 JECD Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(OCC(=O)N(C)C)c1 920925761 LMTNOAWNJBGYBY-GOSISDBHSA-N 468.554 2.115 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1782661899 XOGZLROXXYBZGW-WNSKOXEYSA-N 459.930 2.469 10 20 JECD Cc1ccc(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c1 1783245828 HMBWDJAGMZTEJD-VGOFRKELSA-N 479.599 2.122 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(F)(F)C1)CCO2 1785506043 RNPQPQVCAPANQS-FVZGXOGCSA-N 452.454 2.082 10 20 JECD COc1cc(C)c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1OC 1785509897 JBOCBXFRNHAEFN-MXDXTTGUSA-N 498.532 2.286 10 20 JECD CCc1ncsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792218358 VPCJMAYOJTXQST-JYCWIHKJSA-N 473.551 2.129 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cc(F)ccc3s1)C2)c1cc(O)nc(O)c1 1796138505 BOGYTIPGDPURPH-VTEUUUEMSA-N 457.483 2.364 10 20 JECD Cc1ccn2c(=O)c(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)/C=C/c3ccc(O)c(O)c3O)C4)cnc2c1 1797610127 XUQDFNFVUWESOT-ZXRXUGKRSA-N 490.516 2.085 10 20 JECD COc1ccnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1OC 1799503352 UJSLNKXZOAYTJA-SEDYWJOHSA-N 469.494 2.181 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3[nH]1)C2)c1cc(O)c(O)c(Cl)c1 1799768520 WHMINXOSWGHBHG-IVWMJMPLSA-N 456.886 2.145 10 20 JECD CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1802882870 XPKMLXQKWIBGGS-QKYXUNIQSA-N 474.945 2.381 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc3[nH]ccc3n2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996218 OFPYMAKLKQGAPL-NYHFZMIOSA-N 458.478 2.398 10 20 JECD COC[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817363570 JGHMMUIPJQPBRU-KGLIPLIRSA-N 455.540 2.131 10 20 JECD Nc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)sc2nccnc12 1817437188 SGBBEWRCZOIOGF-GFCCVEGCSA-N 480.510 2.423 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)cco2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146591 RLGRPNCFTPPRKJ-IBGZPJMESA-N 474.477 2.462 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccc(O)cc3F)sc2C1 1823348973 CHXUMIWPSQVVTC-SECBINFHSA-N 480.568 2.074 10 20 JECD COc1nn(C)cc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708071 IZRIRNGGTGVNBS-JTQLQIEISA-N 477.930 2.489 10 20 JECD O=C(c1cc(O)ncn1)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714539 FMSPTGZLNKVOSC-OAQYLSRUSA-N 476.537 2.208 10 20 JECD Cn1cncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716007 ZOLCUEUPMXQDFS-NRFANRHFSA-N 462.554 2.446 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC(C)(C)O)C3)C2)cc1 1839348278 KVPKKUJTYFJUOW-SANMLTNESA-N 469.582 2.325 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cnn(C)c4)CCO3)C2)cc1 1840465984 GBOBDTSBTBDRAK-MHZLTWQESA-N 491.592 2.140 10 20 JECD CC(C)(C)OC(=O)N(CC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)C1CCCC1 1843250002 ZQQXQPFEXQVJBG-UHFFFAOYSA-N 474.558 2.490 10 20 JECD Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)n[nH]1 1844768603 SZNGKBGHXUNQLN-LJQANCHMSA-N 482.585 2.253 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCCN(Cc2ccccc2)C1 1848026286 ZNTWEBNCCWHUJB-JBACZVJFSA-N 450.539 2.220 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C 18960328 WWPQDDGOMMRYRW-UHFFFAOYSA-N 484.626 2.141 10 20 JECD CCOC(=O)c1c(S(=O)(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)n[nH]c1C 727244566 BLXAVKWTCIGYHL-UHFFFAOYSA-N 485.569 2.191 10 20 JECD COc1cc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c(C(=O)N(C)C)cc1OC 747016422 AUOTUGIIOHGPBK-UHFFFAOYSA-N 454.527 2.043 10 20 JECD CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 915732166 YCGWAHWDZJPINB-UHFFFAOYSA-N 476.599 2.437 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)cc2F)C[C@@H](C)O1 917714068 MQBMOVMBZRIMLR-DMPWYTOCSA-N 453.518 2.176 10 20 JECD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 917834978 VWBJHDHGVOEMSE-AZUAARDMSA-N 490.651 2.228 10 20 JECD COC(=O)COc1ccc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 917917928 KHIMRMPWOJFUAR-HOTGVXAUSA-N 466.531 2.470 10 20 JECD COc1ccc(OC)c2c1CN(C(=O)NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)C[C@H]2O 918117074 GEMYHNGPRPBVRA-YLJYHZDGSA-N 468.554 2.164 10 20 JECD Cc1nccn1[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127565 RHXDUWQSBYFTNY-NDKUEENFSA-N 492.580 2.059 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccn4cncc4c3)C2)C1 1778658749 UEIHOPXQDICECT-QFIPXVFZSA-N 456.886 2.156 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)c1ccco1)C2)c1cc(O)c(O)c(Cl)c1 1781119170 CCWMFVYEYJCZDP-SFGWALBWSA-N 464.902 2.205 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cc(F)c(F)cc3F)C2)C1 1781585932 CKPBKJHUJMTHOB-KFVKGYIZSA-N 478.423 2.378 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1781939136 OAIHVTNNNBEEGA-NRFANRHFSA-N 477.857 2.122 10 20 JECD Cc1cccc(C)c1SCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785541693 YEHOYUHZMQKUMN-JOCHJYFZSA-N 493.676 2.086 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)[C@@H]1[C@@H]2CCC[C@H]1c1ccccc1N2 1786772906 MFIHFWOVVRCWLZ-VZZMYQLRSA-N 492.576 2.464 10 20 JECD COc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1C 1792221115 CXSDRHMDGQDKMY-BFPXBCCMSA-N 482.533 2.427 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C)CC1 1795011784 VONRTAZISIFWJE-KOUHRCEDSA-N 486.613 2.094 10 20 JECD O=C(CCOc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1795119966 YXEXADXGBVKGQO-VPTLXERWSA-N 460.914 2.424 10 20 JECD Nc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)sc2nccnc12 1796931938 UGUILVQSSFKAQN-RBVVOMGSSA-N 489.561 2.318 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(N2CCOCC2)n1 1797092024 VQADDVMQVCMLTI-ASYHBGTLSA-N 494.548 2.000 10 20 JECD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)c([N+](=O)[O-])cc1O 1799309023 TUOHXWANINEJJU-PLCSWTFUSA-N 499.476 2.391 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)cc1O 1800333927 AKBAUMMSXVNRMY-CLLJXQQHSA-N 498.424 2.267 10 20 JECD Cc1cc(CC(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)nn1C 1805717175 LDLPWGIJBVWCGH-FNORWQNLSA-N 468.554 2.332 10 20 JECD Cc1nn(C)cc1C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808463568 DBFNIPIJYHHUTJ-NTKDMRAZSA-N 485.548 2.236 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808465304 SUUQAOLGQSKPGA-DFBJGRDBSA-N 485.548 2.236 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cccc2ccnn12 1812085841 MMJUKRFUXHOHOY-ZHRRBRCNSA-N 458.478 2.169 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)Cc2ccc(O)cn2)[C@H]1c1cccnc1 1814167102 XHHPBAVFTQAYII-CAWKPXHPSA-N 490.516 2.261 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)COCc2ccccc2)[C@@H]1c1cccnc1 1814185556 CPUQVWVDBMGVLS-AUSIDOKSSA-N 498.630 2.165 10 20 JECD C[C@@H](Nc1ccccc1)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814188832 BJCBYJRQWXOVBD-CDMIOBSGSA-N 497.646 2.448 10 20 JECD COC(=O)CSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1815224746 FLNVGUJJQDLZTQ-PMGBHYCQSA-N 490.538 2.138 10 20 JECD O=C(Cn1ccccc1=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1815451875 WVYAYZLKSBTJHZ-LBPRGKRZSA-N 474.926 2.295 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3cnccc3[nH]1)CC2)c1cc(O)nc(O)c1 1816725821 MONRFPQMZFDKJD-LBPRGKRZSA-N 450.480 2.365 10 20 JECD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1)n1cncn1 1818147972 SJDQEZWFZNUOCO-HNAYVOBHSA-N 475.513 2.047 10 20 JECD O=C(CCn1ccnn1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1822810641 MLBRMMUQMYSKON-OAHLLOKOSA-N 459.894 2.462 10 20 JECD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)c1ccccn1 1823502040 ZZINTEUARYGERI-BBRMVZONSA-N 472.596 2.461 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cc4ncccc4[nH]3)sc2C1 1823913761 YXAWXEIWHWFXAL-JTQLQIEISA-N 486.604 2.106 10 20 JECD COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)C1 1825978822 UIERLXFTOHUGBY-YRGRVCCFSA-N 474.539 2.155 10 20 JECD Cc1ncoc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1826069223 XKXSLCSUOALFHC-OAHLLOKOSA-N 450.586 2.077 10 20 JECD Cn1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)cn1 1827715966 XFKOBTDHWVHXFY-QFIPXVFZSA-N 462.554 2.446 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccn3n2)CC1 1828065378 HAICSHKGDJNAOP-IBGZPJMESA-N 485.635 2.428 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ccc(Cl)cc3[nH]1)CCO2 1829614992 YDJIMZRYMAGMPW-QHCPKHFHSA-N 486.912 2.011 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)CCCC(F)(F)F)CCO2 1832264454 GLYAXVHHSDCSBD-LWQICCLCSA-N 488.459 2.006 10 20 JECD O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899309 CIZCZQIUBYYAQO-TVFCKZIOSA-N 465.641 2.034 10 20 JECD COc1cccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1F 1834988468 VZKPXESKZCBWJI-UHFFFAOYSA-N 472.517 2.140 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN(C)C)CCO3)C2)cc1 1835389409 PDBDEDWXDSCZMA-AREMUKBSSA-N 468.598 2.116 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc4cccn4cn3)CC2)CC1 1838031399 BYLWDJGSXYVEBI-UHFFFAOYSA-N 465.510 2.067 10 20 JECD O=C(CCCc1ccncc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432722 YJIUZXRXSPSOHP-DEOSSOPVSA-N 489.956 2.239 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3c(F)cccc3F)C2)C1 1839433227 AJASPNBHCHYZOO-JOCHJYFZSA-N 482.867 2.413 10 20 JECD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c1C 1840644643 GSGFWWMALLNXSH-XMMPIXPASA-N 490.940 2.452 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cc(Br)c(O)cc2F)C1 1844744321 OXGYDWSBFZPMDK-UHFFFAOYSA-N 466.263 2.231 10 20 JECD O=C(CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)NCc1ccc(N2CCOCC2)c(F)c1 728171007 DTACMOXTNIXFCQ-UHFFFAOYSA-N 498.555 2.358 10 20 JECD NC(=O)[C@H]1CCCN(CCCNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 729363641 QKUJJPYUWZVVIS-XOAFGZPJSA-N 480.681 2.433 10 20 JECD Cc1cc(NC(=O)CN2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)CC2)no1 916625157 FNDIIPLWTPEDFE-UHFFFAOYSA-N 458.588 2.002 10 20 JECD CC(C)N(CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)Cc1ccc(N(C)C)cc1 917074615 CPMRQKMHFBIAIV-YADHBBJMSA-N 451.633 2.158 10 20 JECD CCOC(=O)c1cnc(SCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)nc1N 917184047 AJOBNYNQNUCXLA-ZIAGYGMSSA-N 477.562 2.397 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)cc2F)C[C@@H](C)O1 918220026 GNCAOUHMJNJUSL-SOLBZPMBSA-N 456.584 2.053 10 20 JECD CC(=O)Nc1nc(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cs1 919090164 KHMVHVGCNDQZAJ-STQMWFEESA-N 464.519 2.327 10 20 JECD CCN1CCC[C@@H]1CNC(=S)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919717167 WHOFUYNWCIJACA-LJQANCHMSA-N 457.623 2.391 10 20 JECD Cc1ccc2ncc(C(=O)NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)c(=O)n2c1 919761845 PCBADYVDVVQZOL-UHFFFAOYSA-N 473.512 2.189 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 919790072 FQXPPVGQJDPFQL-UHFFFAOYSA-N 459.528 2.161 10 20 JECD C[C@@H](NC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCOCC2)cc1 920920189 JBHFLJZTGMUGAS-UTKZUKDTSA-N 468.554 2.208 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(C(F)(F)F)c[nH]1 1778186871 RIGDYJXDDKFVRG-FOIQADDNSA-N 468.432 2.281 10 20 JECD COc1ccc(C)c(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1 1781777834 VWVFXZNGUWBFLI-AREMUKBSSA-N 476.533 2.240 10 20 JECD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)ccc1F 1785006702 GVYGLGXBQXLKLR-RUZDIDTESA-N 480.496 2.071 10 20 JECD COc1ccc2c(c1)CC[C@H](CC(=O)N1CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C1)C2 1787291866 IBGFOCXUQFIJBU-CQOCVSQPSA-N 495.576 2.290 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@H]1Cc2ccccc2O1 1796934916 ZDBZGPJBAXKGKG-RKCFAAOBSA-N 458.518 2.421 10 20 JECD C[C@@H]1CCc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]c21 1799768553 ZONTWQPZACZWSU-LHAXHYPGSA-N 460.918 2.041 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)n1ccnc1 1803308377 MRGKPNIKJCAPHM-DRMXPCRNSA-N 485.548 2.338 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1nnsc1C1CC1 1804285815 FSYCXSATVQCNKV-RRJKNOHSSA-N 456.524 2.498 10 20 JECD O=C(Cn1ccc2sccc2c1=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1806991130 ANGKAPFEUREWHN-UHFFFAOYSA-N 482.562 2.414 10 20 JECD C[C@@H]1CCc2c(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)n[nH]c21 1807996476 SZKHHBICFPJUMM-QOAZOABKSA-N 462.510 2.294 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2c(c1)OCO2 1808986802 FHKUYKWMJKPLIH-KSFYIVLOSA-N 462.462 2.250 10 20 JECD Cn1cc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)cn1 1811808893 FXDHDQQOZXISBC-IERDGZPVSA-N 469.929 2.442 10 20 JECD O=C(/C=C/c1cnccn1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813485871 JRARUMPYYLUQDE-KLFXGEJFSA-N 487.516 2.421 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cccc3c2OCC3)[C@H]1c1cccnc1 1814189039 JYGLOJHHNJCXDA-UWJYYQICSA-N 496.614 2.196 10 20 JECD Nc1c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)sc2nccnc12 1815250969 BGCGXDYRZHTJTN-SECBINFHSA-N 483.535 2.076 10 20 JECD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1)N1C[C@H]2C[C@H]2C1 1817361881 KUQRPWSZUFTKSZ-WCXIOVBPSA-N 492.605 2.188 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)COc2cccnn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818147827 KQQBWNMYWFGOQN-LJQANCHMSA-N 488.508 2.064 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)c3cn4cccnc4n3)sc2C1 1819031219 GLFTVHKOVVBQMI-LPZVBRGNSA-N 492.517 2.242 10 20 JECD Cc1ccc(C(=O)NCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cc1 1823510301 LCABOLUWXYGOSG-SFHVURJKSA-N 478.509 2.260 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2Cc3ccccc3CN2)CC1 1827570212 PHUIKCAEXLOWHB-VXKWHMMOSA-N 464.566 2.441 10 20 JECD COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)ccn1 1832900910 LYZXAIOXQYQKCG-KRWDZBQOSA-N 476.624 2.184 10 20 JECD O=C(Cn1ccnc1)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837534054 GQHDNWOWYKDROQ-UHFFFAOYSA-N 462.934 2.260 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)cc1 1839348911 SQHDGBGCDRKLFD-SANMLTNESA-N 477.565 2.061 10 20 JECD CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)CCCCC1 1840126104 IQHCVXXVQMRURN-VQEXNLMWSA-N 474.554 2.243 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1843441547 FSFSMZHETSCYDF-SFHVURJKSA-N 495.580 2.240 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@H]2F)C1 1845094175 MXOQJBZDDBEHJK-IPMKNSEASA-N 460.550 2.266 10 20 JECD O=C(c1ccc(N2CCOCC2)cn1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845500727 HCMQLQAHDYSDAA-UHFFFAOYSA-N 472.929 2.114 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)CC2)cc1 742917434 WPVJTQILLRFAJU-UHFFFAOYSA-N 498.605 2.319 10 20 JECD CCn1c(=O)nc(O)c2c(C(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)cc(C(C)C)nc21 742920688 MGDIGCHYGKSTRG-UHFFFAOYSA-N 494.596 2.201 10 20 JECD CCS(=O)(=O)CCOc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 746350182 FEYHJBAICKVJIJ-UHFFFAOYSA-N 497.016 2.326 10 20 JECD C[C@H](OC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 748971242 XHIKUYMRQJVSBO-AWEZNQCLSA-N 492.509 2.435 10 20 JECD CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCc4cc(OC)ccc43)CC2)cc1 796328418 URGKFHCKSJCYFO-UHFFFAOYSA-N 473.595 2.380 10 20 JECD CNC(=O)c1cc(S(=O)(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cn1C 914688956 QFKFJDRUXJZQNK-ZDUSSCGKSA-N 480.612 2.035 10 20 JECD C[C@@H](OC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 915463398 YBUKLYHSLJNYIM-GFCCVEGCSA-N 496.472 2.433 10 20 JECD O=C(COc1ccc(F)cc1)N1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 918223026 CPTAYVLOZYMDMM-UHFFFAOYSA-N 474.508 2.234 10 20 JECD CCCn1c(CCC(=O)NCc2ccc(N3CCOCC3)cc2)nc2cc(S(N)(=O)=O)ccc21 919767315 UZJBTOCKZVEYHX-UHFFFAOYSA-N 485.610 2.179 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cccc(C(=O)NC[C@H]4CCCO4)c3)cc2)C1 920348589 XYKRCBSWXDFHDP-ISKFKSNPSA-N 493.608 2.297 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCN(CCCOCC(F)(F)F)CC1 921121399 BWCXVESJIUZJSS-UHFFFAOYSA-N 462.488 2.459 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)ccn3)C2)C1 1779457914 TYOOCTSELMBJNG-WYAMSBGYSA-N 459.886 2.009 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008272 XTSQXAUULBSASC-ZGVNINRLSA-N 490.896 2.025 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)C2)C1 1782861353 XRESQVSCRYVTOO-OYHNWAKOSA-N 494.038 2.060 10 20 JECD Nc1ncc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)s1 1788101189 VSVVICSWABYZBB-UHFFFAOYSA-N 461.594 2.333 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)C(=O)c3ccco3)CCC2)cc1 1792313863 DDXMMPPYRCLTHB-UHFFFAOYSA-N 457.533 2.457 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc2c(s1)CCC2 1794963283 JXMHKVRZEHQORT-GSNLVNFQSA-N 470.547 2.270 10 20 JECD CC(=O)Nc1ccccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1801781056 BOCSPOBPVILOOV-YVWYUNDQSA-N 473.913 2.227 10 20 JECD O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1812502503 IPERLLDIVADFLA-MWTRTKDXSA-N 495.467 2.497 10 20 JECD CC(=O)C[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813008855 FGKQDSUCQHHPQZ-WPSZSDGUSA-N 475.549 2.496 10 20 JECD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)nn1C 1814162870 XMARHQRXADTXEN-OXOXJNMLSA-N 491.548 2.202 10 20 JECD CO/C=C(\C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814163561 HNCPKGPOHAYDPC-YTMKHPAGSA-N 453.495 2.468 10 20 JECD Cc1cccc(/C=C/C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)n1 1814185557 SJTLMTLMOYKAIO-XUERSVHISA-N 495.630 2.365 10 20 JECD CCc1ccnc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1 1814189366 OXQDJERQAOLBPX-UTKZUKDTSA-N 483.619 2.219 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)C1CC(F)(F)C1 1814539541 GLLLYUYYYREABO-GFCCVEGCSA-N 457.528 2.307 10 20 JECD CN(CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1)C(=O)OC(C)(C)C 1816722612 RCELGATUOZOCQD-GFCCVEGCSA-N 477.543 2.042 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cn4ccccc4n3)sc2C1)c1cc(O)nc(O)c1 1818063372 RVRAEYICLBJERX-GFCCVEGCSA-N 450.480 2.137 10 20 JECD Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)cn1 1825817511 CEBLDMOOPCTLHW-SFHVURJKSA-N 460.625 2.484 10 20 JECD O=C(COc1cccnn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1826762769 RMPOLHUBKNSYCC-LLVKDONJSA-N 475.914 2.303 10 20 JECD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c(C)n1C 1828246947 KENAUHPITPYJOZ-LBPRGKRZSA-N 477.637 2.185 10 20 JECD C=CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1829096730 DFSZPAQKUOVNEC-ACMHHVSHSA-N 471.554 2.127 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1cnccn1)C2 1843330574 HDFYIGXLCWGHAK-LJQANCHMSA-N 480.569 2.012 10 20 JECD O=C1Nc2ccc(C(=O)N3CCCC34CN(C(=O)c3cc(O)nc(O)c3)C4)cc2[C@@H]1C1CCOCC1 1844001496 PBGOINBPRIXERX-QFIPXVFZSA-N 492.532 2.086 10 20 JECD Cc1ccc(CC(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1[N+](=O)[O-] 1845205144 VPRWSLQYUBJGKH-UHFFFAOYSA-N 475.505 2.442 10 20 JECD O=C(c1cncn1-c1ccncc1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845500729 HOGBMFTZVADDNK-UHFFFAOYSA-N 453.886 2.463 10 20 JECD CCN1CCC(CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 726239418 ZVTILBWOAFETNL-UHFFFAOYSA-N 455.582 2.473 10 20 JECD O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 726567369 ISUBBXOGPZJAFS-UHFFFAOYSA-N 485.509 2.301 10 20 JECD CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(NS(C)(=O)=O)cc3F)n2)o1 727245258 YKBJVTSVZAOHSO-UHFFFAOYSA-N 488.544 2.351 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c1 729063662 KJFKEBDNJYZIKO-HNNXBMFYSA-N 491.566 2.400 10 20 JECD CSCC[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)N1C(=O)c2ccccc2C1=O 917833733 SXKCYCUMFRIBCE-XMSQKQJNSA-N 494.617 2.422 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc4nc5n(c(=O)c4c3)CCC5)cc2F)C[C@@H](C)O1 918286618 JBFBACYPPTYVGL-HZPDHXFCSA-N 493.539 2.350 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 918311399 QRADRESSYVSQPV-JOCHJYFZSA-N 466.538 2.238 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 920194832 JLNDKKLHTMGRDZ-UHFFFAOYSA-N 459.506 2.425 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3ncoc3c1)C2)c1cc(O)nc(O)c1 1777848149 LFPKOIOWICJBBS-WZONZLPQSA-N 452.467 2.075 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnn3ncccc13)C2)c1cc(O)c(O)c(Cl)c1 1781122822 RQVRIUDEQJYZFG-AUSIDOKSSA-N 485.928 2.235 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3c(Cl)ccc(Cl)c3O)C2)C1 1781944270 ADBREGYDZUNXFY-FQEVSTJZSA-N 468.293 2.263 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1[nH]cnc1-c1cccnc1)CCO2 1782007599 VBTDEXXGVPITRV-HSZRJFAPSA-N 483.912 2.294 10 20 JECD CN(C)c1ncc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)o1 1787260827 GDOPYCUAJBKXSD-UHFFFAOYSA-N 473.580 2.349 10 20 JECD COc1ccc(/C=C(\C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)cc1 1790664248 YSHWBHLZCLGMKX-DCPWPXLHSA-N 467.522 2.198 10 20 JECD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1800575071 VTXWKYRNLOHPFN-TXIUKFDOSA-N 464.566 2.195 10 20 JECD COc1cc(Cl)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c1 1803783970 KXCTZQNKDHGCTJ-QDMKHBRRSA-N 468.000 2.461 10 20 JECD CC(C)(C)n1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cn1 1804935198 ZMWNZCOTTYGPGI-IIBYNOLFSA-N 464.526 2.473 10 20 JECD CN(C)c1cccc(OCC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1807993202 GEXKCGCRFZPHHM-AVRWGWEMSA-N 491.548 2.352 10 20 JECD Cc1cc(C)n2ncc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c2n1 1807996491 TVRBLCLGXYADDY-VGOFRKELSA-N 487.520 2.181 10 20 JECD COC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1816803165 BGQUSHYYYNPYQZ-GOSISDBHSA-N 466.498 2.148 10 20 JECD CC[S@](=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362214 QWQNIXGZKOGKRB-GSLRCMBYSA-N 487.607 2.007 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821291506 SMNGWOUGZJGPKX-OAHLLOKOSA-N 487.900 2.095 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)CCN2CCOC2=O)[nH]n1 1823475553 WTDQYURJKRBIOQ-YERXGYGTSA-N 485.497 2.074 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(F)s1)CC2 1828239946 MBUPZXKFOUZHDP-MRVPVSSYSA-N 470.598 2.430 10 20 JECD Nc1ccccc1/C=C/C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828242449 HVVKATQWPOFCFN-OQHXTRMZSA-N 487.632 2.211 10 20 JECD CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)CCCC1 1829972440 OAQKSQGREFOICU-JOCHJYFZSA-N 452.935 2.402 10 20 JECD O=C(c1ncccc1F)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901338 TVHHNBOZLFPVIQ-INIZCTEOSA-N 464.588 2.314 10 20 JECD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)s1 1833423123 ABKAMAPDVQVTGO-OAQYLSRUSA-N 482.942 2.205 10 20 JECD COCC1(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)CC1 1833462028 ZCXLILDWGAJYMN-UHFFFAOYSA-N 465.978 2.363 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)Cc3cc(F)cc(F)c3)CC2)CC1)c1cc(O)nc(O)c1 1834986880 FZOIGZXJXPBWMD-UHFFFAOYSA-N 474.508 2.199 10 20 JECD COc1cc(F)ccc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988120 FPMSKROSUWOKEG-UHFFFAOYSA-N 472.517 2.140 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1nccc3occc13)CCO2 1836293779 MJKNKWHHMBXKCK-HSZRJFAPSA-N 487.896 2.276 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3sccc3[nH]1)CCO2 1837134192 FURIVELJJWXADL-UQPVFDRXSA-N 499.545 2.130 10 20 JECD Cc1cccn2ncc(C(=O)N3CCC(OC4CCN(C(=O)c5cc(O)nc(O)c5)CC4)CC3)c12 1838031705 GDPLPGUIAVKSDV-UHFFFAOYSA-N 479.537 2.375 10 20 JECD O=C(CC1(O)CCC1)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838111659 IJXPCMHOSSRCGI-UHFFFAOYSA-N 482.581 2.083 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)ccc1F)CCO2 1838860063 KSIJLIFLNWAHAB-QFIPXVFZSA-N 482.867 2.413 10 20 JECD CC1=CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CC1 1840880777 LHNKSUNZZHORPE-OIIQEJIVSA-N 472.538 2.019 10 20 JECD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1841751775 PVFTVKIUQGOBNF-MRXNPFEDSA-N 495.960 2.204 10 20 JECD Cc1c(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)nc2ccccn12 1843656991 CBBDYGNNGNXHNO-UHFFFAOYSA-N 456.506 2.253 10 20 JECD O=C([C@@H]1[C@@H](O)CCN1Cc1ccccc1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845502175 WLKYEXYPFKUYRV-FPOVZHCZSA-N 485.968 2.204 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1F 1847981021 XTEFBXJMALZHQR-FPSMNIFISA-N 477.533 2.093 10 20 JECD CS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)cc1 9658977 OZUJSXNUMHJCDM-UHFFFAOYSA-N 478.482 2.243 10 20 JECD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C 502531442 VQLVJYRINSBDFU-UHFFFAOYSA-N 475.592 2.398 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)c1ccc(N2CCOCC2)cc1 727947617 PDSMZZSSDRNMSQ-INIZCTEOSA-N 476.533 2.345 10 20 JECD CCOc1ccc(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1S(=O)(=O)N1CCCC1 729062979 GWJDUDHLGNNVCA-OAHLLOKOSA-N 491.566 2.400 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)c4ccc(C)s4)CC3)CC2)cc1 742928328 NHQPCDNKGLICPU-UHFFFAOYSA-N 471.627 2.355 10 20 JECD CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1 914608667 OJOFQNGWTZLWGF-UHFFFAOYSA-N 484.534 2.130 10 20 JECD COc1ccc(C)cc1N1C[C@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1=O 917832757 FXUUWRHJPRARPT-VQTJNVASSA-N 464.566 2.375 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 918138805 VPUWNYJIJFFOSV-IBGZPJMESA-N 477.558 2.050 10 20 JECD COCCNC(=O)C1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 918221077 NNEYUVNQDFNVCT-IAGOWNOFSA-N 450.555 2.124 10 20 JECD COCCOc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919664406 BMMBMFLNHWHBKK-UHFFFAOYSA-N 459.518 2.375 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 919970698 VVHABSSCZUIIRE-FQEVSTJZSA-N 491.585 2.174 10 20 JECD COc1ccc(S(=O)(=O)N2CCCCC2)cc1N/C=C1/C(=O)NC(=S)N(CC(C)C)C1=O 920977679 HINADWJTHSOAOD-VBKFSLOCSA-N 480.612 2.065 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C(=O)Nc3ccccc3)CC1)C2)c1cc(O)nc(O)c1 1777848801 DSHYVDPWUDKCDI-KBMIEXCESA-N 494.548 2.039 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3ncccn3n1)C2)c1cc(O)c(O)c(Cl)c1 1781122874 YINKENHNEORVKN-WZONZLPQSA-N 485.928 2.235 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cccc3nc[nH]c13)CCO2 1782001887 NOAIQJWLIZFXSW-QFIPXVFZSA-N 456.886 2.385 10 20 JECD CC(C)(C)C(=O)Nc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc1 1785292206 TWWBIGQCLBDHNY-RUZDIDTESA-N 482.537 2.235 10 20 JECD Cc1nc2ccncc2cc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785505949 UWHJLWZRRVUNPG-MLQZBXHFSA-N 490.516 2.212 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(F)c3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539025 GHDKLHLHNQUNAA-LTMIRXACSA-N 496.514 2.280 10 20 JECD Cc1ccc(C)c(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1796481319 YZLBLPPQJPWSSN-VSVJTWGKSA-N 474.561 2.228 10 20 JECD CC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796749547 GRQAYBJXURWEJI-XNTOXWQXSA-N 474.602 2.114 10 20 JECD O=C(Cc1c(F)cccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1798983519 DGQMGGWRWRUTMC-NXCRSVRDSA-N 466.868 2.475 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)C(=O)c1ccco1 1804324042 VJJVVMQYUWIITO-WZONZLPQSA-N 485.500 2.356 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccncc1C(F)(F)F 1804333900 YLENTWOWWCVKLU-ZSBIGDGJSA-N 472.514 2.213 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cncn2-c2ccncc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991171 NIQGYTYSOYDLAK-UZUQRXQVSA-N 485.504 2.102 10 20 JECD Cc1nc(CC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)cs1 1807992771 BHIYPEHIAFITNH-QVKFZJNVSA-N 453.524 2.215 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1808000616 KFWUJZDJRUYNJP-BTCOZLQPSA-N 489.532 2.026 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1808001854 RHVCXMNXAQISQM-IERDGZPVSA-N 485.541 2.122 10 20 JECD O=C(NC[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808467316 BURSQDPNHFOZMO-QFMWHMJQSA-N 487.560 2.448 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)C2CCSCC2)[C@H]1c1cccnc1 1814192203 UPKUYHCNFRBRGC-APWZRJJASA-N 478.665 2.091 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720571 YQWNHYPWUZOYSD-DGCLKSJQSA-N 491.570 2.336 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCO1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817367203 RZKAKYDIIXJLJR-DYVFJYSZSA-N 453.524 2.027 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccccc2=O)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146613 SVLJZCSYNLFZIA-FQEVSTJZSA-N 487.520 2.057 10 20 JECD COC(=O)CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823499831 ZVFCNPBVHPDGCW-OAHLLOKOSA-N 495.627 2.386 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cnccc3[nH]2)[nH]n1 1823500113 PWKUESOCZGLEGR-MRXNPFEDSA-N 483.579 2.452 10 20 JECD N[C@@H](Cc1cccnc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1827644719 VXLOVZAHQVCYKC-ORMBLBCUSA-N 494.592 2.401 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cn3cccnc3n2)CC1 1828564676 NBAOJLANKLMAMG-SFHVURJKSA-N 450.499 2.083 10 20 JECD CCc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)no1 1829381208 VNAXZBXJYDZXTI-QGZVFWFLSA-N 464.613 2.331 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3cccs3)CC2)CC1 1837400164 RCKFVDWUJJWSCY-UHFFFAOYSA-N 467.638 2.221 10 20 JECD CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1839433472 IWCGRWJMUSTZBE-XMMPIXPASA-N 489.956 2.201 10 20 JECD Cc1ccn(CC(=O)N2CC3(CCCN3C(=O)[C@@H](Cc3ccc(N)cc3)NC(=O)OC(C)(C)C)C2)n1 1843331044 YLTAHOULXLEEHU-OAQYLSRUSA-N 496.612 2.113 10 20 JECD CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1847033931 PLOLNPUHEFTNOH-WGDYAQENSA-N 499.564 2.489 10 20 JECD C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1C(=O)NC2(CCCC2)C1=O 110327496 SCXAUIKICGMPJI-AWEZNQCLSA-N 468.476 2.411 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN3C(=O)OCC(F)(F)F)cc2)C1 727789141 XKEHGMHIAQHRHM-RDJZCZTQSA-N 456.465 2.168 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)C(C)C)ccc21 728638069 IDNKILOVUDBQAT-RXVVDRJESA-N 464.584 2.389 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@@H](O)COc1ccc(F)c(F)c1 729595778 BFTWAHQUHPFXDS-MRXNPFEDSA-N 453.461 2.304 10 20 JECD Cc1cc(C(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)c(C)n1-c1ccc(C(C)C)cc1 748427557 JADWEIRJOPAPME-UHFFFAOYSA-N 458.540 2.488 10 20 JECD CS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1Br 749124911 RGJOYNQQUNITOI-INIZCTEOSA-N 494.411 2.484 10 20 JECD CCC1(CC)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1=O 753971912 TWYICEQEXBSQNP-AWEZNQCLSA-N 491.500 2.443 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)COc3cccc(NC(=O)C4CC4)c3)CC2)cc1 914936215 XKNHORAGVOACCO-UHFFFAOYSA-N 467.522 2.315 10 20 JECD CC(=O)N1c2ccc(S(=O)(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2C[C@H]1C 917930357 QYKYTFSDPFJCSS-APWZRJJASA-N 470.595 2.164 10 20 JECD CCC1(CC)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1=O 917970706 PBXUCKYPOYEOEA-CQSZACIVSA-N 491.500 2.443 10 20 JECD COc1ccccc1C(=O)N1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 918117469 LJSSUYKVGSYSQG-HXUWFJFHSA-N 479.581 2.065 10 20 JECD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 920036267 FETMCISUUMWJQT-VXFXUCHBSA-N 494.567 2.206 10 20 JECD CCN1C(=O)C(=CNc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C(=O)N(CC)C1=S 920980129 YCIFQVDRZYFGPL-UHFFFAOYSA-N 471.004 2.416 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3c(F)cccc3F)C2)C1 1780493561 AKGBNZKQYLLJJO-XMMPIXPASA-N 468.460 2.201 10 20 JECD C[C@H](Sc1ccccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1782495451 VJFZWBGSCUZYJT-XSSDXNQZSA-N 472.567 2.196 10 20 JECD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N1CC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1783247581 JZIMYVNAHZPVAB-NXHWOCBTSA-N 464.566 2.436 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1nccc3occc13)CCO2 1785508541 HOOGXFWNGGCZRE-JWZSXRADSA-N 465.462 2.102 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)CCCc1ccncc1)CCO2 1785508787 MBHLQFUEYOVMBL-NHDFZSDJSA-N 467.522 2.064 10 20 JECD Cc1noc(N)c1C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CSC3=S)CCC2)cc1 1788012619 WAZVWWCHRYEJSU-UHFFFAOYSA-N 459.553 2.173 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)cnc3Cl)C[C@@H]21 1792218371 WSLLFFMUMYIHLX-MGBQVRGESA-N 491.903 2.298 10 20 JECD Cc1c(Br)ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)c1F 1796764919 NWBDFRMEDPGSSO-DBWKPXFBSA-N 494.317 2.220 10 20 JECD Cn1nc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)cc1O 1804899209 NJSDIGHTFFUOFE-ORAYPTAESA-N 471.901 2.219 10 20 JECD Cc1c(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)cnn1C 1805924566 GWAMKODIYVTCNU-CYFREDJKSA-N 485.548 2.236 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)C1(O)CCC1 1808464428 LTNQOZYAQIJBLH-LJFZDNNRSA-N 489.576 2.431 10 20 JECD C[C@H](Nc1ccccn1)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810570827 AMTVMZJSZWTNLB-JIGPKXGUSA-N 462.510 2.103 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CN2CCCCC2)[C@H]1c1cccnc1 1814163034 VUNNMAMINRWSNE-BURROFAESA-N 480.565 2.404 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc3c(c2)COC3)[C@H]1c1cccnc1 1814189596 SUODSYILJZFJSF-VGSWGCGISA-N 496.614 2.292 10 20 JECD Cc1cc(C)n(CCC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)n1 1816729451 ZXTHTHYXTABMDM-AWEZNQCLSA-N 456.528 2.079 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(CO)on3)sc2C1)c1cc(O)c(O)c(Cl)c1 1821704202 RZTOXZAQMUHXNY-VIFPVBQESA-N 464.887 2.228 10 20 JECD COc1ccc([C@H](O)C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)cc1 1827424874 QCXGREDGTRTJCI-OFNKIYASSA-N 469.538 2.468 10 20 JECD O=C(c1ccnc2c1OCO2)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428543 VECKZMYDFAXBLP-KRWDZBQOSA-N 454.483 2.164 10 20 JECD COc1ccc(F)cc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1827632439 VSVXGCKLUJUNAX-NSHDSACASA-N 494.595 2.377 10 20 JECD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)n1cncn1 1827717631 QTSJKMZHKWCADP-GCJKJVERSA-N 477.569 2.252 10 20 JECD O=C(/C=C/c1ccoc1)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828239744 GMPGYGOUNKNHOD-FXZDBVEHSA-N 462.578 2.222 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)c2ccco2)CCO3)cc1 1829828941 YFTZYLXTAYPBIO-SHQCIBLASA-N 493.560 2.491 10 20 JECD COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)ccc1O 1830050487 XUKNBLLTPYHIQA-QGZVFWFLSA-N 491.635 2.494 10 20 JECD Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)cn1 1832896284 BWNKOUBNYWLHLN-IBGZPJMESA-N 474.652 2.413 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900473 ULQDGCGOSUKRPO-PKOBYXMFSA-N 482.716 2.444 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900491 VEYVWOWJNBWAAO-VQIMIIECSA-N 490.651 2.329 10 20 JECD CCOc1ccccc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988736 KIRNEEVXBIRJPN-UHFFFAOYSA-N 468.554 2.391 10 20 JECD O=C(CCc1ccccc1)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1837659528 ZXACYPLHUUDOGX-UHFFFAOYSA-N 489.663 2.478 10 20 JECD CC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1837664445 JUFYQRYSXWVSEF-UHFFFAOYSA-N 468.554 2.147 10 20 JECD O=C(Cn1cccn1)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1837973652 RADBCFAYWNWDDU-UHFFFAOYSA-N 462.934 2.260 10 20 JECD O=C([C@@H]1CCc2ccccc2[C@@H]1O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441145 PGOHICZVNHBBDD-QPPBQGQZSA-N 472.545 2.279 10 20 JECD O=C(c1ccc(N2CCOCC2)cc1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038786 ITDHPKZLRZFNSV-WEVVVXLNSA-N 479.533 2.170 10 20 JECD Cc1ccn(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)n1 1848233727 WCOYDSZQBAUWAR-FSSWDIPSSA-N 496.612 2.112 10 20 JECD COc1ccc(N2CCC(NC(=O)N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)CC2)cc1 726716137 BKZVOKAUAOWGOX-UHFFFAOYSA-N 482.610 2.261 10 20 JECD CNC(=O)c1cccc(CNC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)c1 914499209 DMHSFEPDSYJWMR-UHFFFAOYSA-N 484.490 2.391 10 20 JECD Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)n1-c1ccccn1 914907772 VYUJTNGFBIQSSS-UHFFFAOYSA-N 496.589 2.320 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCc3nc(O)c4cnn(-c5ccccc5)c4n3)cc2)C1 917834426 YDBJGYZOFZIAMK-LJQANCHMSA-N 499.575 2.472 10 20 JECD CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 917834815 QRDIFXDSYGHPTO-GOSISDBHSA-N 490.601 2.486 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(Br)c(C(=O)O)c3)cc2)C1 917929954 KQZNKYHEBUFIRT-AWEZNQCLSA-N 496.383 2.328 10 20 JECD Cc1nc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)sc1C 1779948108 KCAWRNAIAXTNLY-LHXJMTLCSA-N 459.524 2.034 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CCCC3)CCO2 1782002030 QOBIIKBEULOXHR-JOCHJYFZSA-N 460.918 2.110 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cnc3ccccn13)CCO2 1782005649 SSZIUSVJVCDFPF-QFIPXVFZSA-N 456.886 2.156 10 20 JECD Cc1oc(C(C)(C)C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1786055867 TWDMRSRQOCDPLC-XIRDDKMYSA-N 493.651 2.339 10 20 JECD O=C1Cc2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C[C@@H]43)ccc2N1 1788262068 GTDWPWZXGIPDLU-RISOHXOYSA-N 485.924 2.153 10 20 JECD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1F 1793309755 IBYFBYSYINAUOM-NGMCGZGOSA-N 484.524 2.487 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cc(F)c(F)cc1F 1799514149 HDCLMDZXEOXMBA-YXGXIAIWSA-N 478.423 2.137 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc[nH]n1 1801362369 YZWZXBBEDACSOK-CIAFKFPVSA-N 496.612 2.309 10 20 JECD COc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c(OC)c1 1801546980 XCLSNUZHYSFHIY-BJWYYQGGSA-N 491.635 2.135 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-c3cnco3)c1)C2 1802079396 GTMALKAHMKLWML-SLWNEACCSA-N 491.500 2.375 10 20 JECD O=C(Cn1ccccc1=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1807443068 SIGWSSCREDTUCM-ZHRRBRCNSA-N 482.924 2.328 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCOC2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469564 PIKQNSITIUDDEJ-MZLICYQSSA-N 475.549 2.307 10 20 JECD Nc1ccccc1/C=C/C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1809852711 PDVOLEFEKHCAOR-VOTSOKGWSA-N 472.636 2.374 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccn2nccc2c1 1810045021 QIXVQUNJNSOERW-HTAPYJJXSA-N 458.478 2.169 10 20 JECD O=C(c1ccc(-n2cccn2)nc1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810547071 NXFWOOBSFYQUAE-UHFFFAOYSA-N 462.510 2.232 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1ccc(O)nc1 1811465900 RKUSHDJPFTUMIJ-WMUCXUQKSA-N 476.489 2.332 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811811063 ZBFVYSKWKDWBGC-XOBRGWDASA-N 455.902 2.432 10 20 JECD Cn1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(O)nc(O)c2)CC3)c2cccnc21 1819434957 IZOLYIZNMBPWMQ-GFCCVEGCSA-N 464.507 2.376 10 20 JECD Cc1nc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cs1 1823496038 BPFSEKRDFCPQPQ-AWEZNQCLSA-N 478.625 2.270 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)CN2CCCC2=O)CC1 1826730131 IPQPOODMPDXDFS-QRBZPYHOSA-N 471.554 2.059 10 20 JECD O=C(c1cnn2ncccc12)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827426528 YOFZVRFLXQBDHS-SFHVURJKSA-N 450.499 2.083 10 20 JECD CC(=O)O[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)C(C)C 1828198407 BSVNVFJTMOXBQV-NSMGADMYSA-N 489.550 2.473 10 20 JECD CC(=O)N/C(C)=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1831084391 JNEXCYPFCICUCG-FKBBFRINSA-N 471.554 2.476 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCCCC2=O)CC1 1831769639 UWRXUHDRVSQAKK-MFUYTVRRSA-N 485.581 2.449 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCCS2)CC1 1832442200 XBBRNHVNLBCTEA-JKSUJKDBSA-N 455.671 2.362 10 20 JECD Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)cs1 1834292808 XJUGLPWSGGSZBT-HWKANZROSA-N 486.594 2.467 10 20 JECD O=C(Cc1ccc(F)c(F)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835144442 YMHQPMCIQTXFJX-HSZRJFAPSA-N 496.894 2.342 10 20 JECD Cc1ccc([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1839948741 GAOMZOLJCSNUQS-DTDXPTDKSA-N 496.560 2.385 10 20 JECD CCn1nccc1C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843330792 NNGOKNHFPNOXJZ-HXUWFJFHSA-N 496.612 2.438 10 20 JECD COc1ccc(N2CCCN(C(=O)CCc3c(C)nc4c(C(N)=O)cnn4c3C)CC2)cc1 108430018 CZKFTFMIENPDMC-UHFFFAOYSA-N 450.543 2.125 10 20 JECD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](C)c2cc(OC)ccc2O)o1 729536361 ZSKQAQHKUMKZGZ-CZUORRHYSA-N 466.512 2.201 10 20 JECD CCN1CCN(c2ccc(CNC(=O)N3CCC(C(=O)Nc4nncs4)CC3)cc2F)CC1 730671564 GDSRBXLALMWWNB-UHFFFAOYSA-N 475.594 2.379 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)N3C[C@H]4CCCN4c4ccccc43)CC2)cc1 918249275 FZANZMFMXREICT-JOCHJYFZSA-N 477.609 2.339 10 20 JECD CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 919951998 QEZINNZCVRUTHZ-UHFFFAOYSA-N 487.622 2.324 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1S)C2 1783218708 XLNOWNJKPHXGJL-BUTSGQJWSA-N 485.562 2.328 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(F)(F)C1)CCO2 1785506045 RNPQPQVCAPANQS-MRNCVYLJSA-N 452.454 2.082 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3c(Cl)cccn13)CCO2 1785509179 OVHZUGSOOLYSOA-JIBKAZCMSA-N 498.923 2.261 10 20 JECD Cc1cc(C)nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1 1787189151 CCZVVJSOHZSEJX-LEDOBFOHSA-N 475.549 2.085 10 20 JECD C[C@H](Sc1cccs1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1788482622 NPXQNIPYOJGSPQ-SDADXPQNSA-N 463.581 2.328 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1ccc(C2CC2)cc1 1790255540 MYFOMYJTDYZELV-FHWLQOOXSA-N 473.620 2.018 10 20 JECD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)ccc1F 1791947223 DWKYOYMATJBETL-OUFAJUJOSA-N 486.496 2.258 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3c(O)cc(O)cc3O)CCC2)cc1 1792314878 BVZGSCLXCABSRV-UHFFFAOYSA-N 487.559 2.411 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(Br)cc1)C2)c1cc(O)nc(O)c1 1796141226 RLLNYIHQPFIOEY-NCLGQRILSA-N 488.338 2.172 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=CCCC1)C2 1796307627 NIMYRBWFXYSHPE-IRMYBRCSSA-N 498.624 2.405 10 20 JECD CN(C)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796932750 ZSVGCFWWHVCZGO-GGPHIMKMSA-N 460.538 2.192 10 20 JECD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)nc1 1799767279 JWIBTVMZEYZGTQ-VPTLXERWSA-N 459.930 2.291 10 20 JECD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c(F)c1 1802079446 JMDFKDGJEUJJSA-CPVVTZALSA-N 456.470 2.168 10 20 JECD O=C1CSC(=S)N1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@]1(F)CCCCC1(F)F)C2 1804333253 KBEISHZJBABJLF-SJBDTSRBSA-N 463.547 2.403 10 20 JECD CCc1ncccc1C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CSC3=S)CC2)C1 1807599937 UEYWDFFVGQGPQZ-UHFFFAOYSA-N 460.625 2.349 10 20 JECD CC(=O)c1cc(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)C2)n[nH]1 1807942326 DLIMTNLUPBUGCH-GQCTYLIASA-N 468.510 2.287 10 20 JECD Cc1ccn2ncc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c2c1 1807992958 FLCGQROWKMOEOC-GAJHUEQPSA-N 472.505 2.477 10 20 JECD CC(C)n1nccc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807995305 PCTBTOPGZVCUJR-KKSFZXQISA-N 450.499 2.299 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2CCC3(CC2)OCCO3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807997606 BKHXOQJJVOGAMG-PGRDOPGGSA-N 482.537 2.141 10 20 JECD O=C1C[C@@H](C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)CN1Cc1ccccc1 1810547610 VLGKPVBKGMXCEL-OAQYLSRUSA-N 492.576 2.386 10 20 JECD O=C(CCc1cnccn1)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1813444207 RZXOEXAKNZTZHX-FNZWTVRRSA-N 497.559 2.303 10 20 JECD CCOC(=O)N1CCC(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)CC1 1814059766 JQGBTTPFESUMEI-AVRDEDQJSA-N 497.552 2.076 10 20 JECD Nc1nc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cs1 1814162819 RIUHHRCSDJMLEI-DNBICOFOSA-N 481.534 2.270 10 20 JECD Nc1ccccc1/C=C/C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814186604 UESROBCNTBKGRX-XUERSVHISA-N 495.630 2.243 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c(C)n1C 1814190083 QCYQNTYVTBSKEC-DYESRHJHSA-N 485.635 2.217 10 20 JECD Cn1cc(CCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)cn1 1815439136 ZFQJGDIUNBVZSR-BCFOUKGLSA-N 483.550 2.252 10 20 JECD Cc1nnc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)[nH]n2)o1 1817536973 MSSNAXXGLOXQDS-VFADXPBXSA-N 468.470 2.166 10 20 JECD CN1CCc2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cc(O)nc(O)c3)CC4)ccc21 1818419179 GXKPHPOSSGLTMU-OAHLLOKOSA-N 465.535 2.481 10 20 JECD O=C(Cn1cc(Cl)cn1)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1834814317 VZCNSPPMMGVRAL-UHFFFAOYSA-N 496.395 2.487 10 20 JECD Cc1nc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c(C(F)(F)F)o1 1834987283 YMFWNLLPNVZCEJ-UHFFFAOYSA-N 497.474 2.307 10 20 JECD CC(=O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1836806342 ATNVICRSXMSXRH-UHFFFAOYSA-N 482.581 2.393 10 20 JECD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)c1ccccn1 1840504627 ZTFGGHCOMCVEIK-NPMXOYFQSA-N 475.929 2.020 10 20 JECD COc1ccccc1OCC(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1841188316 JVBPRRPZXSBOQO-CSKARUKUSA-N 454.479 2.108 10 20 JECD O=C(c1ccc2[nH]nc(Br)c2c1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250233 ZWGLTVNXDFJJJA-UHFFFAOYSA-N 472.299 2.262 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)C1 1843705333 RNSAPIHZGUEDLM-UHFFFAOYSA-N 464.519 2.123 10 20 JECD Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)CC1 36386008 AKABWFYXLCXSQI-UHFFFAOYSA-N 493.652 2.355 10 20 JECD CCCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 727308103 FTTKKIDWBAEQCX-FQEVSTJZSA-N 472.590 2.260 10 20 JECD C[C@@H](c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1)N1CCOCC1 729785157 VIYOTMOLVIUORW-SIKLNZKXSA-N 493.608 2.036 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Cn3cnc4c(oc5ccccc54)c3=O)CC2)cc1 742927438 QYXJGPTUJFGKKQ-UHFFFAOYSA-N 461.522 2.090 10 20 JECD CN(C)c1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1F 746864432 KCYIEBMJAFRPNB-UHFFFAOYSA-N 451.520 2.038 10 20 JECD C[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 915031415 UKKYBPJXVOQZNU-CYBMUJFWSA-N 496.497 2.489 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CN3c4cccc5cccc(c45)S3(=O)=O)cc2)C1 917833481 OUABQFXJIPCWKR-LJQANCHMSA-N 478.574 2.367 10 20 JECD C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1 917917357 GCTQGAZWOIBTNC-GASCZTMLSA-N 456.561 2.321 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@H](c3cccs3)N3CCOCC3)cc2)C1 918118398 QYXUYHBINUNTJV-PZJWPPBQSA-N 471.627 2.323 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 918309905 FXVUZFYXYSVQEV-UHFFFAOYSA-N 478.471 2.412 10 20 JECD CC(=O)N[C@H](CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccs1 918890707 PGLBKBRUMBRLNG-GOSISDBHSA-N 463.531 2.151 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)nc12 918921646 HBXVARIPXJLMMT-HNNXBMFYSA-N 470.457 2.346 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)C[C@@H]3Oc4ccccc4NC3=O)cc2F)C[C@@H](C)O1 919001590 TXTOJJJVYDIPBP-MCFFVMPBSA-N 485.512 2.389 10 20 JECD CCCN1CC[C@@H](CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919775962 CLUZBYHRQCZITP-FQEVSTJZSA-N 455.582 2.473 10 20 JECD O=C1NC(=O)c2ccccc2/C1=C/NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 920178363 PAMPPZDIJPAFQS-SILNSSARSA-N 458.497 2.343 10 20 JECD CS(=O)(=O)N1CCC[C@@H](NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 920292561 PMVQVKUBMTWMLM-WDGDVPDHSA-N 473.667 2.270 10 20 JECD Cc1cc(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 920662387 NWJCHDAAABCWTP-UHFFFAOYSA-N 455.964 2.302 10 20 JECD C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCOCC2)cc1 920869417 HRDKRZREQMNWPX-GOSISDBHSA-N 479.624 2.347 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1781014954 FKMCDKWEOYIALC-MWTRTKDXSA-N 495.960 2.204 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cccnc1Cl)CCO2 1785506286 YUBCMYAJQKUUJY-UKKYDJSUSA-N 459.886 2.009 10 20 JECD CO[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccc1 1785509536 URXXFBVDSUYDSX-ZNAAKFBLSA-N 468.506 2.034 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)Cn2cncn2)C3)cc1 1799621042 ZSYHDOXQCCNHAV-RSZNVJGZSA-N 476.581 2.225 10 20 JECD O=C(Cc1ccsc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1807564367 GFEQEDPBORRTKT-OXJNMPFZSA-N 474.633 2.252 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2cnc3ccccn23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993214 GOCHBDULFRNZCY-BXKMTCNYSA-N 472.505 2.098 10 20 JECD O=C(Cn1ccccc1=O)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1 1810031946 SCCOXENAQAAPNX-UHFFFAOYSA-N 459.930 2.458 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cccnn1 1810728030 ZJRTUOFWDFOTGL-QXMHPGBQSA-N 461.478 2.021 10 20 JECD CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811811042 YYMZYPWDXYLDJA-CFLQYTFWSA-N 472.929 2.087 10 20 JECD Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814185505 CFNJGWNIEJCTAK-FDDCHVKYSA-N 498.630 2.335 10 20 JECD Cc1ccc(OCC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1814186856 YVMTVRGVHJQESF-WZONZLPQSA-N 498.630 2.335 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1n[nH]c2c1CCCC2 1817877653 QCOGNZKWNNPTJR-OAHLLOKOSA-N 487.611 2.178 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cnc2ccccn12 1818615329 JVXVYARDJJWSOX-AWEZNQCLSA-N 483.579 2.224 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)C3(C(F)(F)F)CC3)sc2C1 1818850777 HJTDCHJZMWZVGS-QMMMGPOBSA-N 478.543 2.258 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1820740642 BCEITWZEXGDRAL-HNNXBMFYSA-N 474.518 2.435 10 20 JECD CC(=O)N(C)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708037 GUQTXMOVPLGDTL-GFCCVEGCSA-N 466.947 2.302 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])CC2)c1cc(O)c(O)c(Cl)c1 1823711092 UTFDOHBHWJJFTN-QMMMGPOBSA-N 478.874 2.379 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)CCN2CCOCC2)CC1 1826751776 SCOWRVHFOOHWJU-GZNAHNRGSA-N 487.597 2.159 10 20 JECD O=C1CSc2ncc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)cc2N1 1827429072 FWEMXWTYALFIHO-GOSISDBHSA-N 497.577 2.479 10 20 JECD Cc1cc(NC(=O)CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)no1 1827659737 CPZUYDMFWBADBK-KRWDZBQOSA-N 471.514 2.051 10 20 JECD CS(=O)(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1832399983 CHXRYYRDFRNTIZ-QGZVFWFLSA-N 472.991 2.419 10 20 JECD O=C(Cn1cc(Cl)cn1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832898658 UTVMNIPRIJUXJU-MRXNPFEDSA-N 484.047 2.017 10 20 JECD O=C(Cn1ccc2c(F)cccc21)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833292136 HOEQUYAXQKTDCX-UHFFFAOYSA-N 495.555 2.472 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cnccc3Cl)CC2)CC1)c1cc(O)nc(O)c1 1834988908 RNPBAGSOHJURMD-UHFFFAOYSA-N 459.934 2.040 10 20 JECD Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)nc1 1835132795 OQQXOTWXOGQTNT-UHFFFAOYSA-N 488.592 2.368 10 20 JECD CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251208 HEKURKCPFUXEQZ-IRXDYDNUSA-N 474.558 2.393 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@H]1F)C2 1843331331 LCFKCOQWFRCJOM-GBESFXJTSA-N 460.550 2.266 10 20 JECD C[C@@H](Sc1cccs1)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055557 HQUPUILARAVDJQ-GFCCVEGCSA-N 455.652 2.292 10 20 JECD Cc1ccc2nc(C(=O)N3CC4(CCCN4C(=O)CN4C(=O)CSC4=S)C3)sc2c1 1847055669 KSCXJLPGXDUYAE-UHFFFAOYSA-N 460.606 2.282 10 20 JECD CN(CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)Cc1ccc(N2CCOCC2)cc1 15571891 RBEGAIXEOSRPCG-OAQYLSRUSA-N 477.652 2.232 10 20 JECD CCOc1cc(/C=C2/SC(=S)N(CC(N)=O)C2=O)ccc1OCCn1c([N+](=O)[O-])cnc1C 727176547 VGAKSEACRIOKSP-CXUHLZMHSA-N 491.551 2.264 10 20 JECD CNC(=O)CCOc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 729582042 UZWLNZAOZSQNPP-SFHVURJKSA-N 453.543 2.225 10 20 JECD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 743315162 PZXVNYMBZINRJW-UHFFFAOYSA-N 485.560 2.380 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 918225021 ZZERCEQDAIYGPL-UHFFFAOYSA-N 482.603 2.376 10 20 JECD CN(C)c1ccc(CNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 918245782 FVDXFQUZJHONST-UHFFFAOYSA-N 470.595 2.133 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 918334159 FJVDNRKTWPSULU-KRWDZBQOSA-N 461.971 2.244 10 20 JECD CCn1cnnc1-c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 918440609 SVIQCCLWAOXTPR-UHFFFAOYSA-N 466.517 2.320 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 918644764 JOPTYRWYSLMZDR-JOCHJYFZSA-N 499.633 2.245 10 20 JECD CC(C)(C)OC(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783218719 YYCIOUNGSGAFPS-MVYDMROTSA-N 490.553 2.062 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)cn1 1784763402 JJKDUHWFRUTVFT-YEWWUXTCSA-N 461.902 2.062 10 20 JECD O=C(/C=C/c1ccoc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1785132804 MEPBKKGANMZJOW-BBQPKSHOSA-N 462.506 2.065 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3ccco3)no1)CCO2 1785509036 MXLDSBKXJJHJDU-WUQPGSQJSA-N 481.461 2.208 10 20 JECD Cc1nn[nH]c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 1790126727 KLBCXFYPEWZWAW-BVSLBCMMSA-N 462.554 2.428 10 20 JECD COc1ccc(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c1 1790138302 FMWHTFMULATWEH-OEOAZWSVSA-N 490.560 2.390 10 20 JECD COC1(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)CCC1 1790245683 YTWWCLDUEXZPGW-YEWWUXTCSA-N 452.935 2.304 10 20 JECD Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1793726912 KAZQUAOWECXLLU-VSVJTWGKSA-N 474.561 2.310 10 20 JECD O=C(CSc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1795272082 QZVADFZHAURDSE-MRSFGVLCSA-N 478.574 2.161 10 20 JECD O=C(Cc1noc2ccccc12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1795765473 CQQSSIQAMSGWTR-GFENJXEQSA-N 471.897 2.338 10 20 JECD Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1C(F)(F)F 1796605635 UCIOJYNMLFKXPW-GNXNZQSNSA-N 488.850 2.021 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1noc3c1CCCC3)C2)c1cc(O)c(O)c(Cl)c1 1799768085 JQIKJWQXRZAENN-IVWMJMPLSA-N 461.902 2.135 10 20 JECD CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(O)nc(O)c3)C4)C[C@@H]2C1 1801864408 RNZVUVCWWHVRJH-HAGNESBASA-N 486.569 2.392 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccc(F)cc3)CC1)C2 1802078967 NVMZLRXNKJARPY-DCZUYWFCSA-N 482.508 2.277 10 20 JECD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)cc(C)c1O 1802082358 GTXSXVMRTDDVFM-NURUXFMTSA-N 468.506 2.042 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccc(NC(=O)C2CC2)cc1 1804335997 PQYPOGBXKHOHTG-BCDXTJNWSA-N 486.619 2.147 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1804555291 LECSHUXRNUIWFY-KSWRQPAISA-N 478.521 2.092 10 20 JECD Cn1nc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@@H]2c2cccnc2)cc1O 1804899203 NJSDIGHTFFUOFE-BFUOFWGJSA-N 471.901 2.219 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cn2cccn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803243 GSRMOGUZAUGPNM-YWZLYKJASA-N 455.902 2.363 10 20 JECD C[C@H](Nc1cccnc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1814993462 PMNKQNNQXHPAPQ-WCQYABFASA-N 454.512 2.071 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cccc4[nH]ncc34)sc2C1 1816778192 LKQJXGPCSZMJCD-JTQLQIEISA-N 486.604 2.106 10 20 JECD CCOC(=O)c1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)ccn1 1817847626 PIEJLTVVQHOWMR-QGZVFWFLSA-N 480.481 2.407 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1c[nH]c2nccc-2c1 1817900277 FKRQNXQNVMDJQJ-HNNXBMFYSA-N 483.579 2.404 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccc(F)cc3)sc2C1 1822187720 HCISBXAQSQEWSC-LBPRGKRZSA-N 464.569 2.368 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc[nH]n2)CC1 1831197082 IADRMJUATWYEJK-XZXOBPBMSA-N 454.527 2.402 10 20 JECD O=C(COc1ccc(O)cc1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896512 KBWGCLYUTUMACE-LJQANCHMSA-N 491.635 2.251 10 20 JECD O=C(CCCCn1cccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433496 JWWCGYBHRWPQHM-XMMPIXPASA-N 491.972 2.493 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)CS(=O)(=O)N3CCCC3)C2)cc1 1843414202 NCMMVIDQLSZLRT-UHFFFAOYSA-N 484.622 2.337 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441120 NVNFHFNWHMJRLK-KRWDZBQOSA-N 483.569 2.144 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 1845576886 MUQMITSXDZRTGA-UHFFFAOYSA-N 487.476 2.081 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCN(Cc2ccccn2)CC1 1848247254 SLMHCZKQTMXJHY-AKFQOFNLSA-N 492.576 2.326 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCC(=O)N(C)CCc3ccccn3)cc2F)C[C@@H](C)O1 727476221 PWAFTWBJIBEHMR-QZTJIDSGSA-N 457.550 2.335 10 20 JECD COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4OC)C3)CC2)cc1 742920412 JOXDBQWYUISFAN-LJQANCHMSA-N 482.581 2.004 10 20 JECD COCCOc1c(Cl)cccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 743390994 LJFVWKNMJGUNDI-QGZVFWFLSA-N 488.972 2.322 10 20 JECD COc1ccc(N(CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC(C)C)cc1 746169916 GDMBCAVLRPFKQY-UHFFFAOYSA-N 464.588 2.296 10 20 JECD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 916566240 UWNTZVDOPFZYOU-QFIPXVFZSA-N 488.610 2.197 10 20 JECD COc1ccc(-n2nnnc2SCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 917175225 RNLJOGANWHYDQL-UHFFFAOYSA-N 458.519 2.055 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCCS(=O)(=O)NCc3ccccc3)cc2F)C[C@H](C)O1 918217017 WXTXIYGLKFOOQE-ROUUACIJSA-N 478.590 2.358 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3nnc(C(C)(C)C)s3)CC2)cc1 918250456 SYEPXKAHQDMEDN-UHFFFAOYSA-N 460.604 2.111 10 20 JECD CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 918276199 AQBJXWQUTGHUQK-UHFFFAOYSA-N 464.444 2.157 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3N3CCOCC3)cc2)C1 918463646 MLBMVKCGOFUCOX-SFHVURJKSA-N 499.999 2.133 10 20 JECD CC(C)c1c(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cnc2ncnn12 919274342 UWWAOZJVXKZVIH-IYBDPMFKSA-N 484.532 2.474 10 20 JECD CS(=O)(=O)Cc1ccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919698973 DUGKYZKNAGKVBJ-UHFFFAOYSA-N 483.569 2.417 10 20 JECD Cc1nccn1CCCNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919782103 DBSXHDRWMBZMCX-UHFFFAOYSA-N 452.538 2.337 10 20 JECD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1N/C=C1/C(=O)NC(=S)N(CC(C)C)C1=O 920976926 SBDOBTNQTOTIKU-ATVHPVEESA-N 464.613 2.365 10 20 JECD COc1cc(F)ccc1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777851204 DGEHWQQJGXUCQB-NTKDMRAZSA-N 473.501 2.011 10 20 JECD CCN(CC)C[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127246 HNTAXXNOQFJLEJ-SZEHJLNQSA-N 497.640 2.271 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)cc1O 1782008293 YIDOUNJRRSJHAF-QHCPKHFHSA-N 489.912 2.173 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)C[C@@H]21)c1cc(O)nc(O)c1 1787295317 FQYFJKQJPPGVOS-YSSFQJQWSA-N 496.520 2.116 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cnc2ccoc2c1 1787352800 KDJSFSLGZZAJOB-QWEYHENOSA-N 479.489 2.251 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1ccc2cncn2c1 1788427428 ZJMPHCMGXOERAN-VHFSOBRXSA-N 470.913 2.306 10 20 JECD CCCCC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1790895807 SGXROHXCCBKGHD-QAETUUGQSA-N 455.646 2.043 10 20 JECD O=C(CC[C@@H]1CCOC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1791817610 AIBIKEYDTYJZAH-DFHZNHDVSA-N 452.935 2.161 10 20 JECD COc1cccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)n1 1794263511 LDSUOUOLSBXTHU-GFPDGJBOSA-N 453.495 2.101 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc2ncccc2c1 1796805710 OIHLCNKXYSNGDP-NXKWYNOOSA-N 483.528 2.231 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1)c1cn2ccccc2n1 1796934674 SWEDKVMTJGQLJT-GGPHIMKMSA-N 456.506 2.379 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796935102 VSRPKLXVXMIVST-ZAWLATJESA-N 483.569 2.331 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(C2(C(F)(F)F)N=N2)cc1 1799740465 QLNPPTYYZHWWJE-ZSBFGKGUSA-N 491.426 2.191 10 20 JECD COc1cc(C)c(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1799825888 RWFPLQDMCWDKMN-HBNMSFMJSA-N 490.560 2.308 10 20 JECD O=C(Cc1cc([N+](=O)[O-])ccc1F)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804157537 NBGJNMYLNOUEDA-CMJOXMDJSA-N 495.467 2.497 10 20 JECD COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c(Cl)c1 1804330808 HOWNLUUQVDIFPN-QDMKHBRRSA-N 482.027 2.390 10 20 JECD Cc1ccc(C(=O)NCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1804358176 IFSFWGZGCOUIRO-QQFNCUIESA-N 487.560 2.156 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807996079 XKZQYWFOZPTIOQ-ORAYPTAESA-N 490.442 2.274 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807996514 UJAXYVUIMLBCSN-SBUREZEXSA-N 489.532 2.237 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccnc3ncccc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001724 WKHDOPDVKIFZDS-OPAMFIHVSA-N 470.489 2.464 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC2(CCCN(C(=O)c3cnn4ncccc34)C2)CC1 1810746496 DTWIHRHHZHBQTM-UHFFFAOYSA-N 485.548 2.367 10 20 JECD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811809728 OYZZMMLRRZMAIB-MHALITNNSA-N 491.928 2.082 10 20 JECD Cc1cccn2ncc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c12 1812269642 CWVNIGGDMADGPZ-HXOBKFHXSA-N 472.505 2.477 10 20 JECD C[C@H](Cc1ccncc1)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1812339887 NTHVWGLVEARLCU-PERKRYKHSA-N 497.646 2.222 10 20 JECD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)cn1 1814162496 LJCYTYQJIFTKOH-DPLQINJDSA-N 475.505 2.330 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc(O)cc1 1814190043 PLUKOZXSQYBUDE-LZFQIVBZSA-N 498.630 2.457 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1ncn(-c2ccccc2)n1 1818199258 AVLGNZMDFVHUHE-KRWDZBQOSA-N 474.481 2.416 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2)n1ccnn1 1824690633 HAGIILRXUOBRFP-GXSJLCMTSA-N 462.919 2.286 10 20 JECD O=C1CCc2ccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)nc2N1 1827426496 XVYWIQJCQQBILY-LJQANCHMSA-N 479.537 2.320 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4cc(Cl)ccc34)C2)C1 1836418473 WBMFQURWQCPBSJ-HSZRJFAPSA-N 486.912 2.011 10 20 JECD CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cn1 1839431861 RINUILPFBMGJOB-HSZRJFAPSA-N 492.960 2.087 10 20 JECD CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1847086256 NBRAORWMCHJTON-INIZCTEOSA-N 462.547 2.249 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 16134828 CVHDXLYZAHYAPF-UHFFFAOYSA-N 453.511 2.128 10 20 JECD C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1)c1ccc(N2CCOCC2)cc1 729060504 HUNIRRMQZJCTDF-KRWDZBQOSA-N 486.594 2.122 10 20 JECD CN(CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)Cc1ccc(N2CCOCC2)cc1 741734413 RNMWUQSPCCYBNJ-HSZRJFAPSA-N 463.644 2.303 10 20 JECD CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 916565867 MAGSIUAPNIFLET-QFIPXVFZSA-N 473.595 2.441 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3ccc(Br)s3)cc2)C1 918372799 PVKQROYVMVRCKF-CQSZACIVSA-N 479.400 2.259 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3ccccc3)cc2F)C[C@@H](C)O1 918852812 HSZAQEIJMBEPTP-CALCHBBNSA-N 457.502 2.029 10 20 JECD C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)C[C@H](C)O1 920194893 KZQHJBQZAIPGHP-OALUTQOASA-N 480.565 2.028 10 20 JECD C[C@H](O)[C@H](NC(=O)c1cc(Cl)ccc1F)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 920262942 IKPYJQOHOGDISY-QKKBWIMNSA-N 479.936 2.226 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc(F)nc1 1779635116 HBGFTUPJTUYRGV-CJFMBICVSA-N 479.512 2.141 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1781379170 RVEDUJOCCIEODX-JNHKJOQOSA-N 468.506 2.114 10 20 JECD O=C(CCc1cc(F)ccn1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004023 RNXMVOLRGCZVTN-JOCHJYFZSA-N 463.893 2.362 10 20 JECD COc1cc(C)ccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510589 RKRAPBVUDROLEK-JLEGMICCSA-N 468.506 2.277 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cncn1-c1ccncc1 1785753171 IKSKSFLDOYOLBF-LFRPXUGBSA-N 497.939 2.239 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ccoc4c3)C[C@@H]21 1792219107 JTTMSNGUXWUPIQ-QWEYHENOSA-N 479.489 2.251 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)C1(O)CCC1 1802465657 RWOOWICWQAMHFF-WWEVIYMKSA-N 489.576 2.431 10 20 JECD NC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1ccccc1 1804285340 LIOAIAXRXGDSPA-QZJNIUIJSA-N 451.523 2.197 10 20 JECD O=C(CN1CCCCC1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1806887112 NIKSNNVFUZXAER-KLBPFGMTSA-N 480.565 2.404 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc2nc[nH]c2c1 1809826968 RJDALOQVGPZIFB-KKSFZXQISA-N 494.602 2.138 10 20 JECD COC[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814162899 YGRPXKNORXUFSK-ZQPKUIBYSA-N 455.511 2.200 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2c[nH]c3cnccc23)[C@H]1c1cccnc1 1814189599 TVHFSBNCJKLGIR-VFNWGFHPSA-N 494.602 2.138 10 20 JECD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816727428 UPBDQZQCIGITRK-IAQYHMDHSA-N 499.524 2.133 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccncn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146529 NXLMUCFQYYQNNH-IBGZPJMESA-N 458.482 2.299 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1snnc1C1CC1 1818379689 KFHXPLFDPNFUGI-LBPRGKRZSA-N 491.624 2.305 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)[C@H]3CC=CCC3)sc2C1 1822798969 KDBVFJJCXODGMD-NWDGAFQWSA-N 450.611 2.272 10 20 JECD Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823497490 WGLJRAMESFSSLC-OAHLLOKOSA-N 476.584 2.110 10 20 JECD CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)N(CC)CC 1823497652 XPKHZTXWPHPPHA-HZPDHXFCSA-N 480.660 2.383 10 20 JECD C[C@@H](Oc1ccccn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823501165 ONOFDPVFNUGQME-UKRRQHHQSA-N 488.595 2.125 10 20 JECD NC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)c1ccccc1 1826978683 GEAJRBJLRZVMAY-NHCUHLMSSA-N 452.555 2.469 10 20 JECD O=C(CN1CCCCC1=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827717407 FHOLHZAOWANQIO-QHCPKHFHSA-N 493.608 2.412 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3ncccn13)CC2 1828198821 KXSFEJPSFKCJFM-LPZVBRGNSA-N 492.517 2.242 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC([C@@H]2CCCCN2C(=O)CCn2ccnn2)CC1 1832245480 PDIMOIAIAYDODU-QFIPXVFZSA-N 477.569 2.081 10 20 JECD Cc1c(F)ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1N 1834775540 OEUIDBOOONSYQJ-UHFFFAOYSA-N 471.533 2.022 10 20 JECD Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)nc1C 1837335183 UGRSXMZLWPXWPL-UHFFFAOYSA-N 490.651 2.171 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)c2cocn2)C1 1842545206 ZUQRUTIPWMAARY-GOSISDBHSA-N 469.542 2.210 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN3C(=O)OCC(F)(F)F)cc2)C1 727789137 XKEHGMHIAQHRHM-DOTOQJQBSA-N 456.465 2.168 10 20 JECD COC(=O)c1cn(CC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c2ccccc12 742927595 VPPFSUMBKOPDIT-UHFFFAOYSA-N 450.539 2.375 10 20 JECD COC(=O)c1cc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)ccc1Cl 743432768 QVCLNHSCGYVLDG-UHFFFAOYSA-N 474.945 2.012 10 20 JECD COc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c(C(=O)N2CCCC2)cc1OC 747012442 WVMYVTHHBAXDBO-UHFFFAOYSA-N 472.517 2.400 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(CN2CCCCC2=O)c1 747991214 FSPAJDLWNOQUFU-UHFFFAOYSA-N 450.539 2.291 10 20 JECD COC(=O)c1ccc(Br)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1 917732682 WJRLWBCYQBMCFI-UHFFFAOYSA-N 463.331 2.408 10 20 JECD NC(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1F 918274432 HHIYDWRKJMQMLV-UHFFFAOYSA-N 468.407 2.035 10 20 JECD CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 918287689 RNIWUBSHVHYASO-HOTGVXAUSA-N 456.518 2.444 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CC(=O)N(c4ccccc4CC)C3)nc12 918949817 VYAUWUIIKLDRBM-OAHLLOKOSA-N 452.467 2.270 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)Cc3c(C)nc4c(c(C)nn4C)c3C)CC2)cc1 919299036 HUGAEVJCDLMENV-UHFFFAOYSA-N 465.554 2.337 10 20 JECD O=C(CCS(=O)(=O)C1CCCC1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919701314 VVDNTMRLYRRROP-UHFFFAOYSA-N 475.590 2.306 10 20 JECD O=C(CN1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1)Nc1ccc(F)cc1 919790636 VELXVIDBXVLKKH-UHFFFAOYSA-N 455.534 2.128 10 20 JECD Cc1ccc2oc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)c4cc(O)nc(O)c4)C3)cc2n1 1777848113 JSSLHRJKFXQLLW-NTKDMRAZSA-N 466.494 2.384 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@]1(F)Cl)C2)C1=NN(c2ccccc2)C(=O)C1 1778127381 KFIGGXVLFZDEAF-SBQVSDJPSA-N 476.936 2.218 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)cc1 1781755890 VGIKABLBNJNKCH-QFQXNSOFSA-N 464.566 2.064 10 20 JECD O=C(COc1cc(Cl)ccn1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782006987 DVNCKNYXMDDQDE-OAQYLSRUSA-N 482.320 2.322 10 20 JECD CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1783176955 COPJAPAQGJYAFP-KBMIEXCESA-N 452.555 2.062 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3nonc3c1)C2 1783222223 KXCWODKRTBKLDB-WMXZDKKKSA-N 494.504 2.181 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnc(C(F)F)c1)C2 1783245173 IRMCVDNGOUTOCQ-QVKFZJNVSA-N 498.577 2.007 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccncc1C(F)(F)F)CCO2 1785505231 DSMFORMOOUIMTP-WYAMSBGYSA-N 493.438 2.374 10 20 JECD CC1(C)CCC(CC(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)CC1 1785545287 MZINTKURIMFIEW-QFIPXVFZSA-N 467.657 2.283 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1c(F)cccc1F 1789446970 OPCOGXAXXOFWJS-KGDAJWNSSA-N 474.460 2.388 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3CCCCO3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242906 BMESBHUMMMCOGL-YBKUAAOGSA-N 452.935 2.304 10 20 JECD COc1ccc([C@@H](O)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)cc1 1790242950 GLYVUWAFMFOKCY-QMHYAUOFSA-N 490.940 2.087 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccc1-c1ccccc1)C2)c1cc(O)nc(O)c1 1796137388 GKRGNXVNBAMJNC-OPMZPASUSA-N 460.490 2.072 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3cccc(Cl)c31)C2)c1cc(O)nc(O)c1 1796140925 ILMVDWWSBDPDFW-YJXLLHPSSA-N 457.914 2.079 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1Cl)C2)C1=NN(c2ccccc2)C(=O)C1 1796480834 POLUODWFWHIUKO-MFKICJERSA-N 466.925 2.336 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cnccc3c1)C2 1802079598 MLZBQHLZCFYUMW-PAXCABHKSA-N 475.501 2.268 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1c[nH]c3ccccc13)C2 1802080612 ZOPSLRSMXXHCMM-SKPYDUSBSA-N 477.517 2.130 10 20 JECD CSc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)cc1 1804340107 ILLRIQFLGVJLBI-MUJYYYPQSA-N 463.650 2.450 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998129 ISHLTNQOPMSSMB-JVRBBFSMSA-N 499.527 2.117 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccc(O)c([N+](=O)[O-])c1 1810708138 WXFHSXDMJJISOK-BTYIYWSLSA-N 479.449 2.135 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccn1 1813508614 KOCDODYMQLEHNC-LUQKVYGDSA-N 483.619 2.146 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)C1=COCC1 1813590042 VPRVVLQCHBRVDK-WZONZLPQSA-N 459.506 2.185 10 20 JECD CC(C)n1cnc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1814164373 ZJRZWAJTHYKKAJ-SFYFWLEPSA-N 492.536 2.404 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CCc2cnccn2)[C@H]1c1cccnc1 1814166691 TUFOCCXANOWTEI-KNPPZWELSA-N 489.532 2.340 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1nccs1 1816571577 VZCBFYADOAICPX-LLVKDONJSA-N 450.571 2.032 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccc2nccn12 1821485918 ZKIVVKNUHHSUFE-CQSZACIVSA-N 483.579 2.224 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C3CC3)on2)[nH]n1 1823496695 NPWMPZLNZHOMGB-AWEZNQCLSA-N 474.568 2.441 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC([C@H]2CCCCN2C(=O)[C@H]2ON=C(c3ccccc3)O2)CC1 1828817701 URRPFYGUCOXYBN-KBMIEXCESA-N 480.521 2.461 10 20 JECD O=C(Cn1ccnc1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877136 VRPLERATTUIUPE-WSSFADSRSA-N 454.527 2.333 10 20 JECD CC(C)N[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)C(C)C 1832898173 DCZGNVYROXJHKF-GHTZIAJQSA-N 482.716 2.489 10 20 JECD O=C(c1ncccc1F)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901343 TVHHNBOZLFPVIQ-MRXNPFEDSA-N 464.588 2.314 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)CC1)c1cc(O)nc(O)c1 1834987660 SCVLFPVLENTINL-UHFFFAOYSA-N 463.538 2.473 10 20 JECD Cc1ncc(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)cn1 1837362218 JPFPOWAZBGLTHU-UHFFFAOYSA-N 490.564 2.190 10 20 JECD Cc1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)ccn1 1839432416 MZOZMVUMIVVSBI-XMMPIXPASA-N 489.956 2.157 10 20 JECD O=C(COC1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432442 OTFXGOPOKYBCHH-QHCPKHFHSA-N 482.961 2.171 10 20 JECD COc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1 1839435020 BUHGAQNPJCYYIY-HSZRJFAPSA-N 494.903 2.283 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H]2CCCO2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 916591187 WUFYJRGBEMMPJE-JOCHJYFZSA-N 476.551 2.020 10 20 JECD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 917380561 FGRGUKBYFJARSQ-UHFFFAOYSA-N 460.478 2.050 10 20 JECD CCCS(=O)(=O)N1CCC(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 918205139 HTALWZWNWWQFLL-IRXDYDNUSA-N 470.611 2.443 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CC[C@@H](C(F)(F)F)NC3=O)cc2F)C[C@@H](C)O1 919080971 UZXOPTATDAUEHR-OSDKZWGASA-N 489.466 2.056 10 20 JECD C[C@@H](NC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1)c1ccc(N2CCOCC2)cc1 920924666 CWHZHYLRJFUCTE-QGZVFWFLSA-N 452.511 2.291 10 20 JECD O=C1NC(=S)NC(=O)C1=CNc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 920980158 ZULVSNZLHQGBJT-UHFFFAOYSA-N 484.603 2.157 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c3nccc-3c1Cl)C2)c1cc(O)nc(O)c1 1777848399 SCJVVIMYKSNSIL-WAIKUNEKSA-N 485.928 2.415 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)[C@@H]1CCC(F)(F)C1 1783454447 RXVFQUUJFQTUTM-JMVFIXPQSA-N 474.508 2.194 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccnc(C(F)F)c1)CCO2 1785509253 WWXYMZSQKODAPJ-ZGVNINRLSA-N 475.448 2.293 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC3CCC3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787538558 KDGIVIJPUZRJEQ-VCOUNFBDSA-N 452.555 2.339 10 20 JECD CCOc1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787540107 DZNVQFJRHDGHND-XZOYJPPVSA-N 490.560 2.472 10 20 JECD COc1ncccc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790243166 VINJWPKLXXVKJM-KNBMTAEXSA-N 489.956 2.381 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C\C(=O)NC2CC2)C3)cc1 1799620949 SEFKEDLVDYTPTL-UKKJZBCXSA-N 476.577 2.132 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)[C@@H]1CC(c2ccccc2)=NO1 1803470579 QRNNTZFCNAXKQO-NSXLHWASSA-N 487.516 2.401 10 20 JECD CN(C)c1cccc(OCC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1 1804228402 ZGYRDNDGTXJJFK-BVZFJXPGSA-N 491.548 2.352 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807993189 FOKKNKBEMNEQSH-LDBYXDLTSA-N 499.568 2.368 10 20 JECD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810546282 ANDBLHTWRXOLMD-INIZCTEOSA-N 484.528 2.295 10 20 JECD CN(C)C(=O)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)c1 1810549867 HFVSNNBIEPGTCG-UHFFFAOYSA-N 466.538 2.353 10 20 JECD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810550187 DEPSJNITAWTIEU-OAHLLOKOSA-N 462.547 2.251 10 20 JECD C/C(=C\c1cccnc1)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1813396354 WBLQUCFMKYPMDM-ODXUAPNFSA-N 495.630 2.446 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cc(=O)cco2)[C@H]1c1cccnc1 1814162641 OQZXHHJOHKNECY-YEUXVMMMSA-N 477.473 2.185 10 20 JECD Cc1ncsc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816492536 FJJNITHQPGVVAB-GFCCVEGCSA-N 464.598 2.341 10 20 JECD CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)CC1 1816731022 FZUQXBLSAVOUND-GFCCVEGCSA-N 489.554 2.232 10 20 JECD Cc1cc(C(N)=O)cc(C)c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1819764063 NCZGFCZISZCIED-AWEZNQCLSA-N 481.534 2.205 10 20 JECD CN1N=C(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CCC1=O 1824924174 CGLGUCLELAGHII-JOCHJYFZSA-N 492.580 2.007 10 20 JECD Cc1nc(CC(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c(C)s1 1828239955 MLRPLIWJHFFGHO-NSHDSACASA-N 495.677 2.231 10 20 JECD Nc1ccccc1/C=C/C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828242446 HVVKATQWPOFCFN-LJLILKBBSA-N 487.632 2.211 10 20 JECD CC(C)(C)OC(=O)NCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1828280422 VBBONBPEFKNJKU-ZDUSSCGKSA-N 491.570 2.480 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)n2)CC1 1829230916 JMSZCHOQFZJSRD-MRXNPFEDSA-N 464.588 2.314 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832875088 KFKPUPZWCSKEBN-ACMHHVSHSA-N 473.570 2.351 10 20 JECD O=C([C@@H]1C[C@]1(F)Cl)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899856 KVDAWPYRXSIURL-CKFHNAJUSA-N 462.012 2.391 10 20 JECD CC(C)COc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)ccn1 1835126542 PKTJAOSPUYYCIJ-UHFFFAOYSA-N 497.596 2.422 10 20 JECD CCc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)s1 1839433754 SGLDBVWFPZJXJJ-NRFANRHFSA-N 481.958 2.154 10 20 JECD O=C(c1ccc(OCCCO)cc1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038169 CMZWHRUOJSGDRU-UXBLZVDNSA-N 468.506 2.095 10 20 JECD CCc1cccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1 18925909 NMOZXCNRDUGLMQ-UHFFFAOYSA-N 465.557 2.492 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)CC2)cc1 726725405 CAUKFPMALVHUDH-UHFFFAOYSA-N 488.610 2.496 10 20 JECD CS(=O)(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc(S(C)(=O)=O)c3)n2)cc1 727245206 WORZDZGYPBEBDZ-UHFFFAOYSA-N 487.606 2.386 10 20 JECD Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c3cn(C)c(C)n3)c2C)cc1C 750620208 PTOJUKFOXDNYSN-UHFFFAOYSA-N 472.567 2.457 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCN(C)C(=O)C3)c2C)c1 912704478 LADPPOYVRDPXSI-INIZCTEOSA-N 484.505 2.262 10 20 JECD O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1 917912679 RBVNOSBWPZDMQN-UHFFFAOYSA-N 467.638 2.159 10 20 JECD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)C2CC2)cc1 918455323 AHWGOLVXCGJMKU-UHFFFAOYSA-N 487.626 2.199 10 20 JECD CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919762170 XJEISIDQSOIRSA-UHFFFAOYSA-N 484.557 2.244 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)CC2)cc1 920681641 KMYHOSZZBUUAKF-QHCPKHFHSA-N 465.550 2.121 10 20 JECD C[C@H](OC[C@H]1CCCO1)C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 921094646 FWFKQOKPASHSCH-VXIBKDFQSA-N 452.523 2.183 10 20 JECD O=C(Cc1ccccc1F)N1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 921200487 QFCQOKRGTLBJIS-UHFFFAOYSA-N 458.509 2.398 10 20 JECD Cc1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)s1 1778126394 VACLQTLDXQRCJD-NTKDMRAZSA-N 481.578 2.372 10 20 JECD O=C(CCCCn1cccc1)N1CC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1779194151 TVARNEJAVAWZGJ-AREMUKBSSA-N 477.565 2.281 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)cc1 1781753511 BRUVJTVJHDXRQE-RUZDIDTESA-N 461.522 2.347 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccccc4o3)C2)C1 1782236744 BVHGGXRLHWSNQB-YFTVHVBSSA-N 465.462 2.102 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=COCCC1)C2 1783223090 VDQHWTNPZWLEHH-YGBPNOIISA-N 458.511 2.025 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)Cc1cc(F)ccc1F)CCO2 1785511558 LWRNSECZZJGMCH-NCWHABTQSA-N 474.460 2.167 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnc3s1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479427 GMVHBRYRLXAKTD-FAQVEIGNSA-N 489.557 2.292 10 20 JECD CNc1nsnc1C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1802477096 NHMDWFYTAYEUAF-NFJZJNBUSA-N 496.549 2.125 10 20 JECD CC(C)(C)NCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1807101824 VHVPWNGGWSBQPE-SXVOPIBFSA-N 468.554 2.306 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1808001858 RHVCXMNXAQISQM-IIBYNOLFSA-N 485.541 2.122 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc2nccn2c1 1809411540 IRSPFLNJFIIKSL-KSFYIVLOSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cncc2cnccc12 1811301507 XMWAUIKZUGWLCM-WAIKUNEKSA-N 470.489 2.464 10 20 JECD O=C(Cc1cncnc1)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815970739 NGNIVPIQZPLDJT-FQEVSTJZSA-N 472.509 2.227 10 20 JECD O=C(Cn1ccnc1)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1816545043 ATGKHYHROGFKKG-IBGZPJMESA-N 460.498 2.091 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3n[nH]cc3c1)CC2)c1cc(O)nc(O)c1 1816726360 XFCFNSQFWSXHIC-CYBMUJFWSA-N 450.480 2.365 10 20 JECD CC(=O)O[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2)C(C)C 1819480129 FTDUHWLQLKXIBU-VFNWGFHPSA-N 497.577 2.436 10 20 JECD CCS(=O)(=O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821290785 CSYFTCKLINYPLV-AWEZNQCLSA-N 470.935 2.215 10 20 JECD O=C(Cc1ccccc1F)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835006580 NNAMKYKYGNPONM-QHCPKHFHSA-N 478.904 2.203 10 20 JECD CC[C@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1835913736 GTRJOHVWCOMJJV-JYFHCDHNSA-N 468.598 2.162 10 20 JECD Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)C2)n1 1836072827 NRYJCZHNGZTUSO-AREMUKBSSA-N 493.564 2.098 10 20 JECD CC(C)n1cnc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)n1 1838149368 NDOYBOLNEVYCNM-GQCTYLIASA-N 499.568 2.301 10 20 JECD CN1CCN(c2ccc(C(=O)N3CCCC34CN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)cc2)CC1 1841036728 ASISRIKTYYQKDV-UXBLZVDNSA-N 492.576 2.086 10 20 JECD O=C(c1cnn2c(-c3cccs3)ccnc12)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249814 CJJWUTQAFIWVFR-UHFFFAOYSA-N 476.518 2.395 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc(F)ccc2OC(F)(F)F)C1 1844724116 CGIPAWIPAQORII-UHFFFAOYSA-N 491.488 2.402 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cc2ccc(Br)cn2)=NN1c1ccccc1 1848242956 QFJPDPRWIIBAON-PMACEKPBSA-N 496.365 2.381 10 20 JECD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)ccc21 726726437 OCNHWADWBVQMIU-UHFFFAOYSA-N 473.480 2.202 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc(-n4cnnc4)cc3)cc2F)C[C@@H](C)O1 727517761 VACBISBLXVVASM-IAGOWNOFSA-N 467.501 2.493 10 20 JECD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 727616852 PBPTVDQHDNWTHE-UHFFFAOYSA-N 482.606 2.276 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1 728941343 VZFKJCNACYFXRG-INIZCTEOSA-N 463.556 2.123 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730519436 YRPVKGYVDGAMOS-NRFANRHFSA-N 451.523 2.306 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3ccccc3S(=O)(=O)N3CCCCC3)CC2)cc1 742921724 YGVJTDVJOQUSPO-UHFFFAOYSA-N 486.638 2.422 10 20 JECD C[C@@H](OC(=O)CCc1nc(O)c2cnn(C)c2n1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 900701156 QUWXATJNYXTKIV-CYBMUJFWSA-N 499.483 2.347 10 20 JECD CC(C)NC(=O)CN1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 914440050 UTFGFVZYLJNGJP-GHRIWEEISA-N 480.681 2.398 10 20 JECD C[C@H](Sc1nnnn1CCN(C)C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 916703178 ZUNNDQLDELQJBN-ZDUSSCGKSA-N 450.524 2.129 10 20 JECD COc1ccc(-c2nnn(CC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)n2)cc1OC 917714769 OSYNEDMKZNTNGM-HOTGVXAUSA-N 484.532 2.426 10 20 JECD O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 918272782 RROYSADGNMGXDI-UHFFFAOYSA-N 462.510 2.334 10 20 JECD O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918340526 QWKLXQCGIHJWQK-UHFFFAOYSA-N 450.944 2.205 10 20 JECD CCCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919700878 FYMIKKXBAJKXQD-NRFANRHFSA-N 454.550 2.350 10 20 JECD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c(F)c1 1781594553 HTMFKPRLXVTTOX-VWLOTQADSA-N 480.496 2.071 10 20 JECD O=C(c1cccc(-n2cncn2)c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008316 YSNHTCORZZGGEU-QHCPKHFHSA-N 483.912 2.089 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(F)ccc3C(F)(F)F)C2)C1 1785213058 IFYDTPKSCOTZHS-FQEVSTJZSA-N 469.391 2.408 10 20 JECD CCCc1onc(C)c1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785505804 QAJSJNGDENNSJB-HLZSCNFSSA-N 471.510 2.209 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccc(Cl)nc1F)CCO2 1785508284 ADBXTEKISKJBDC-KSBKHAFUSA-N 477.876 2.148 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1nc(Cl)ccc1F)CCO2 1785509263 XXGQATOSELNZNK-KSBKHAFUSA-N 477.876 2.148 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]21)c1cc(O)nc(O)c1 1787295449 UJEWOOVCGLNNFF-JQFCIGGWSA-N 465.428 2.419 10 20 JECD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)ccc1C 1789616381 COGCWJSWZTWDGN-PTLVVNQVSA-N 490.560 2.390 10 20 JECD COc1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1F 1794677117 VXCNLLDTWXXOQS-NCSLWMNCSA-N 457.458 2.311 10 20 JECD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)c(O)c(Cl)c2)cc1OC 1799768857 CDBNMWVWSBIAKO-YVWYUNDQSA-N 476.913 2.285 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)Cc2ccc3c(c2)OCO3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991603 QKPUZDBFGNBBCL-XDHUDOTRSA-N 476.489 2.179 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cn3c(F)cccc3n2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999257 KADJQDKSUDDYFR-IVZQSRNASA-N 476.468 2.308 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808001661 VGIKDAXDKFGMPY-SZNDQCEHSA-N 479.449 2.135 10 20 JECD CCc1cc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)nn1C 1808470781 ZHQMKEJGMZWQNR-CLOONOSVSA-N 499.575 2.490 10 20 JECD CCc1ncsc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1811645144 XXBPKUFJLMEQNI-RDTXWAMCSA-N 489.648 2.280 10 20 JECD Cn1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)n1 1816484386 WQULQFLXLICWEA-LJQANCHMSA-N 460.498 2.242 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)CSc2ncccn2)CC1 1827179857 JDQZFRRSTMVZBA-INIZCTEOSA-N 493.680 2.049 10 20 JECD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)n1ccnn1 1827717349 BNAMAASDCWFQRB-XMSQKQJNSA-N 477.569 2.252 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3ncccc3[nH]1)CC2 1828246590 CWGXWVCQRLSQKV-SNVBAGLBSA-N 486.604 2.106 10 20 JECD O=C(OCCO)c1ccccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1829669353 RLEKHEWZRLEEOL-NRFANRHFSA-N 497.548 2.189 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3cc(F)ccc3F)CC2)CC1 1838569237 XORABIMJPIQZQD-UHFFFAOYSA-N 497.589 2.437 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348727 ITUYRQRVUGUNQB-JIPXPUAJSA-N 496.608 2.079 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)cc1 1839349236 LEBVKQSJYUAPQO-PSELDJGJSA-N 479.577 2.057 10 20 JECD O=C(c1ccc2nccnc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433718 AARTYDPXJRYXJS-DEOSSOPVSA-N 498.923 2.078 10 20 JECD CC1=NN(c2ccc(C(=O)N3CC4(CCCN4C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)cc2)C(=O)C1 1843442352 CZGFTKSFJRNJOY-UHFFFAOYSA-N 498.543 2.409 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2cn3c(C(F)(F)F)cccc3n2)C1 1845589456 ZNKQGMFGPDDKKF-UHFFFAOYSA-N 461.400 2.290 10 20 JECD CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 726721229 BROIWMJJSPBVHW-HNNXBMFYSA-N 460.547 2.228 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)c4ccc(F)cc4F)CC3)CC2)cc1 727032583 KLLRKUQJHSVYGG-UHFFFAOYSA-N 487.551 2.263 10 20 JECD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)CC1 729057155 UEEMAXLZJAUUMA-UHFFFAOYSA-N 493.608 2.177 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 729065263 ZUXIRDSFEYGVLG-OAGGEKHMSA-N 491.566 2.015 10 20 JECD CN(C)c1ccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)cc1F 746864858 YXZZTHCMUCIEMK-SFHVURJKSA-N 469.966 2.395 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc3c(cc2Br)OCCO3)cc1 747072646 MSYOWYQPDZRNGD-UHFFFAOYSA-N 463.331 2.393 10 20 JECD CC(C)[C@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)N1CCOCC1 913224463 XOHXFSGZTNTHGE-QFIPXVFZSA-N 466.446 2.410 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)C3=NN(Cc4ccccc4)C(=O)CC3)CC2)cc1 917267715 OARHMWDVSFYOTJ-UHFFFAOYSA-N 464.522 2.066 10 20 JECD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917714706 NRWXWPDDJWVZLJ-HUUCEWRRSA-N 482.560 2.447 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(C(=O)N4CCOCC4)c3)cc2)C1 918038592 SOCKEMQMMDZGRL-HXUWFJFHSA-N 465.554 2.182 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 918222972 BYPQIZDKAZKZMQ-UHFFFAOYSA-N 481.572 2.079 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 920188451 NEIGQJXLOOKBPC-UHFFFAOYSA-N 451.571 2.127 10 20 JECD NC(=O)[C@H]1CCCN(C(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)C1 920428582 SJTUDQFLQGDONN-QENILXLESA-N 468.398 2.374 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)C1(c3cccc(Cl)c3)CC1)CCO2 1785541392 ZDPHUFJXVWYXCJ-NRFANRHFSA-N 494.038 2.062 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)nc3Cl)C[C@@H]21)c1cc(O)nc(O)c1 1787293259 FOACLRFRUSUMFI-BPNCWPANSA-N 467.309 2.102 10 20 JECD COCCn1ccc(C(=O)Nc2ccc(C3(NC(=O)CN4C(=O)CSC4=S)CCC3)cc2)n1 1788764547 KUKFSEHKNOPBEE-UHFFFAOYSA-N 487.607 2.138 10 20 JECD C[C@H](Cc1ccc(F)cc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1790726596 KJWGJMRWXLKUPG-VTCANLHHSA-N 457.502 2.104 10 20 JECD Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)n1 1792217452 CXXGAVYGUWERKT-UPWGDRSZSA-N 481.549 2.133 10 20 JECD CCOC(=O)/C=C/C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792313744 AAKGQOWKFMXRJU-CMDGGOBGSA-N 461.565 2.100 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)c(Br)cc1F)C2)c1cc(O)nc(O)c1 1796140069 AOYCGVSMDBFCBB-XGISUXEOSA-N 498.280 2.051 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccn1)C2 1796750269 SRGGTWUZRNEDTB-PLACYPQZSA-N 494.596 2.447 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nonc2c1)C1=NN(c2ccccc2)C(=O)C1 1797399578 IMELJDWRUGNIHN-VBUUOAMHSA-N 458.478 2.268 10 20 JECD Cc1cc2nnc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(O)c(O)c(Cl)c3)C4)c(C)n2n1 1797439689 FIWLUYYIMLPQRL-QDMKHBRRSA-N 470.917 2.371 10 20 JECD COc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1804915673 RSKXTUKFTOJZQD-KUHUBIRLSA-N 490.632 2.332 10 20 JECD CCOC(=O)c1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccn1 1807995051 MSJVDVKCLCGZQN-VGSWGCGISA-N 491.504 2.093 10 20 JECD O=C(COc1ccccc1F)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812782167 KXEBVMOEXIJKDB-WAIKUNEKSA-N 466.469 2.426 10 20 JECD COc1ccc(COCC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1813166958 NGOZQYRYKDEUSL-UQBPGWFLSA-N 492.532 2.433 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)[C@H]2CCCO2)[C@@H]1c1cccnc1 1814163415 AZZIOKGFHGWDLL-KPUJLLMDSA-N 453.495 2.097 10 20 JECD Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)o1 1814190854 AZACZIQLLUENRD-IIBYNOLFSA-N 472.592 2.092 10 20 JECD CC(C)(C)OC(=O)NCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816731920 XCIHURQMDMUDLC-ZDUSSCGKSA-N 491.570 2.480 10 20 JECD O=C(CCS(=O)(=O)c1ccccc1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1816981698 RXGWOXSNNMMRHZ-GOSISDBHSA-N 499.549 2.386 10 20 JECD CCn1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)sc3C2)n1 1817362964 DBPGSWOOXBCMSJ-CQSZACIVSA-N 477.550 2.378 10 20 JECD CCOc1cnc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cn1 1817843813 BMESVQFSMQOWGE-HNNXBMFYSA-N 453.459 2.024 10 20 JECD Cc1nccnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1820884338 PSVNINWRAZBWSN-MXPWBENCSA-N 467.507 2.298 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccn3nccc3c2)CC1 1828730890 URBQKJNOBOUKMV-LJQANCHMSA-N 485.635 2.428 10 20 JECD CCNC(=S)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740707 VGCHDHFKCLHEKX-QGZVFWFLSA-N 483.034 2.469 10 20 JECD Cc1cnc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)cn1 1834162583 JGWYJRMYZQSMDO-UHFFFAOYSA-N 473.961 2.349 10 20 JECD O=C(C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)c1ccco1 1837111701 FYQIQMJOXDMHGJ-GQCTYLIASA-N 484.505 2.291 10 20 JECD CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1 1838992658 GEQIQAFGIYZACM-QQOLHMHLSA-N 482.533 2.149 10 20 JECD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)[C@@H]1CC1(F)F)C2 1844251598 KFDYRNKLLZIZOP-HOTGVXAUSA-N 495.523 2.392 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cc(-c3ccncc3)[nH]n2)C1 1844483774 WRTYNGLZFANDKA-UHFFFAOYSA-N 469.505 2.082 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 17230658 CNYLTCWTUHBKOU-UHFFFAOYSA-N 453.520 2.488 10 20 JECD CN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2C1=O 36241257 AEQKQCIZBMUMFL-UHFFFAOYSA-N 468.421 2.483 10 20 JECD C[C@H](CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)NC(=O)C1CCCCC1 727531626 QCQCQZKURMXVPC-QGZVFWFLSA-N 463.550 2.297 10 20 JECD CCN(CC)c1ccc(CN(C)CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 741678779 YOUQNQALVCQHTF-VWLOTQADSA-N 480.609 2.475 10 20 JECD Cc1ccc(OCC(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)cc1 748826230 LRISLWZHZYHYGE-UHFFFAOYSA-N 452.555 2.264 10 20 JECD Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 801933698 FHRLEFXTGAHRGQ-UHFFFAOYSA-N 487.509 2.037 10 20 JECD C[C@]1(NC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CCS(=O)(=O)C1 914406195 SKFMITLYIDWCKL-OLXGIWCBSA-N 489.438 2.344 10 20 JECD CN1CCN(c2ccc(CNC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cn2)CC1 918199820 PRQBMYJERALZSP-UHFFFAOYSA-N 452.603 2.042 10 20 JECD O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 918202672 WSWSEZAQILCLGZ-UHFFFAOYSA-N 470.545 2.259 10 20 JECD Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1S(=O)(=O)N(C)C 918455573 KGWQPAAQKFOQRS-UHFFFAOYSA-N 458.584 2.441 10 20 JECD Cc1ccc(CC(=O)OCC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cn1 919487714 YICYNMKCXIREQC-DJKKODMXSA-N 499.570 2.222 10 20 JECD COC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919729654 JWWIGOWSJHSXFI-UHFFFAOYSA-N 485.541 2.207 10 20 JECD O=C(CN1CCOCC1)Nc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 919773002 QUQVXXGJCLYKPJ-UHFFFAOYSA-N 453.543 2.116 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)c1 919805531 YQZUKOQODKHYBG-GZTJUZNOSA-N 461.521 2.230 10 20 JECD CC(C)c1ccc(OCCNC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 920637403 CGNPTVIYHXOLFD-UHFFFAOYSA-N 450.513 2.239 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3cccc(OCCN4CCOCC4)c3)cc2)C1 920838895 WHZJLBLKGYIRBG-QHCPKHFHSA-N 495.624 2.099 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccs1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126319 RPRKDSZWRZPKJW-WZONZLPQSA-N 467.551 2.064 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)c(F)c3)C2)C1 1780835317 XOUAUPIIZCYKDW-DLMBFZKISA-N 460.433 2.239 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)C[C@@H]21)c1cc(O)nc(O)c1 1787292051 OABLJZQCCGRCNK-UVIMBBFXSA-N 454.458 2.020 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c(O)c1 1787541381 JKMBPSRLGJORGY-NYDSKATKSA-N 476.533 2.087 10 20 JECD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)c(C)c1 1789674153 UWHQEXGMKAFIKZ-OEOAZWSVSA-N 490.560 2.390 10 20 JECD Cc1cc(C)n(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)n1 1790246200 RITHPOSREVEONY-KNBMTAEXSA-N 476.961 2.248 10 20 JECD COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1O 1792814262 UKYJJYWOVVXLLT-CHIZEWAFSA-N 468.506 2.412 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1noc2c1CCCC2 1796154328 ZSJBZBOXSKBUBL-IVWMJMPLSA-N 461.902 2.135 10 20 JECD COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c(Cl)c1 1803747326 FLFODSMMJKFSNX-CLLJXQQHSA-N 468.000 2.461 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1cnco1 1803857903 BBJPZVJDJLAYHE-JTSKRJEESA-N 458.478 2.182 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cc(=O)cco1 1806131112 DIAHFYDTWRSHLI-GEROHTISSA-N 477.473 2.185 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(F)nc2F)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993290 VPLCVLPYKVQZEY-BFUOFWGJSA-N 455.421 2.194 10 20 JECD O=C(NC[C@H]1CCN(C(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998127 ISHLTNQOPMSSMB-IOQKZYTHSA-N 499.527 2.117 10 20 JECD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)nn1C 1808464774 PMFVOKFXPCBSDK-FNZWTVRRSA-N 499.575 2.165 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)C1 1809506918 VHUHKHADJRXQOG-KKSFZXQISA-N 497.552 2.074 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cnc2ccc(F)cn12 1812238863 IELWTXHFIOZDML-QRQCRPRQSA-N 476.468 2.308 10 20 JECD CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814162568 MAOLEASZJXHFGG-KKNSAXIMSA-N 468.554 2.291 10 20 JECD CN1CCC(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)CC1 1814162966 ZZCYGOJUINEEKK-LQDMMPEDSA-N 480.565 2.259 10 20 JECD Cn1ccc(=O)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818147340 YEMXPWMTCRFEES-HXUWFJFHSA-N 487.520 2.207 10 20 JECD Cc1cnc2c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)cnn2c1 1819072749 QUUPMAGRHPECFS-INIZCTEOSA-N 462.470 2.187 10 20 JECD COc1nccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c1F 1823497674 GZQAFJGEOQHHHS-ZDUSSCGKSA-N 492.558 2.119 10 20 JECD CCOC(=O)O[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1824600369 ASASKAKDAHIMSG-KBPBESRZSA-N 499.549 2.410 10 20 JECD COC(=O)CCCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1826233943 JGCVASKFRPGSSL-CYBMUJFWSA-N 462.528 2.299 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cc(Cl)cn1)CC2 1828198437 DLEDWWMXCXJNEG-ZABGRMTBSA-N 489.941 2.435 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccsc1)CC2 1828239806 IIOQPWGDTINRAF-JTQLQIEISA-N 452.608 2.291 10 20 JECD Cc1nn(C)c(C)c1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1832234602 NHBONZYJSYTMDH-LJQANCHMSA-N 491.683 2.059 10 20 JECD CC(C)(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c[nH]1 1833383674 IXXXYYLEYBZXMA-UJWGQFCKSA-N 499.564 2.212 10 20 JECD COc1cccc(/C=C/C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834988417 PUYHFHQSQZUNSF-AATRIKPKSA-N 480.565 2.400 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cccc2cc[nH]c12 1835421413 BGEYMUBSCLSBRG-UHFFFAOYSA-N 463.538 2.473 10 20 JECD CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)CCC1 1836736929 LPVZXRHVWHFCTG-QFIPXVFZSA-N 452.935 2.402 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)sc1Cl)CCO2 1838235950 STIMQMALURBDGI-LJQANCHMSA-N 488.349 2.245 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/C1CCCC1)CCO2 1839179284 ASRAUMVJCDBAJE-DNIXAGTJSA-N 472.538 2.019 10 20 JECD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c(C)o1 1839431729 IZZJZWCXTDWHFY-JOCHJYFZSA-N 464.902 2.345 10 20 JECD CCc1nn(C)c(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1Cl 1843441391 QYYVGFRIANWMPC-UHFFFAOYSA-N 468.945 2.246 10 20 JECD COC[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 1844251511 DHVSPHFDVVRXCA-WMZOPIPTSA-N 491.585 2.020 10 20 JECD COc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(O)nc(O)c2)c(Br)c1 1847586993 ULNJHWDGUWKZSP-IRXDYDNUSA-N 476.327 2.322 10 20 JECD CC(=O)NC1CCC(NC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 726195475 ZHJBAXXAMUARFD-UHFFFAOYSA-N 476.511 2.278 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)C[C@@H](c3ccccc3)N3CCOC3=O)nc12 728382144 WFEMGWUFPGNKAD-KRWDZBQOSA-N 454.439 2.238 10 20 JECD CC(C)NC1CCN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1 731031721 BVGHUSJSBABEFB-NDENLUEZSA-N 490.651 2.195 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(OC)c(Cl)cc3OC)CC2)cc1 743432766 QSZRAHXKBJWXQR-UHFFFAOYSA-N 476.961 2.243 10 20 JECD Cc1cc2[nH]c(=O)c(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cn2n1 750211321 QRXPGNVIXMVYEU-ZDUSSCGKSA-N 470.441 2.290 10 20 JECD O=C(COC(=O)CCNS(=O)(=O)c1cccs1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 800959957 KIPBSFGXDSSYCP-UHFFFAOYSA-N 498.538 2.374 10 20 JECD COCCn1c(SCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nnc1-c1ccncc1 917173130 QZJSUHZEORGZMU-UHFFFAOYSA-N 486.573 2.371 10 20 JECD CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)ccc21 917930844 WRDAPUVBYGVDQX-HXUWFJFHSA-N 470.595 2.166 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(S(N)(=O)=O)s3)cc2F)C[C@@H](C)O1 918186841 VDRWCDVKJSOQLD-CHWSQXEVSA-N 456.565 2.148 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 918305121 BTRLAWBTDSPIID-UHFFFAOYSA-N 484.622 2.475 10 20 JECD CN1CCN(S(=O)(=O)c2cccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)c2)CC1 920042868 GSPJRZDKGBXRQN-UHFFFAOYSA-N 489.667 2.498 10 20 JECD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 920194975 LRGWDCRRWLTRHX-UHFFFAOYSA-N 488.610 2.199 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1778253440 XWCBXCCABKXSGI-WMZHIEFXSA-N 458.898 2.198 10 20 JECD O=C(c1ccc(O)c(F)c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007638 JBVPMGIHNWZGIR-NRFANRHFSA-N 450.850 2.353 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H]1C[C@]1(F)Cl 1782297383 XXUCBJBATLHQKI-VMPDLBTJSA-N 468.909 2.255 10 20 JECD COc1nc(C)ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1789017731 DVQAIBUXZHHLSM-AXHNFQJDSA-N 475.929 2.370 10 20 JECD COc1cccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c1 1792218779 QKHBDMNDZJSMHF-NLAISDGXSA-N 482.533 2.048 10 20 JECD CCSc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1792396086 FDHKMSUIIUOONJ-FAQVEIGNSA-N 493.589 2.190 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)[C@@H]1C[C@H]1c1ccc(Cl)cc1 1797190025 LFASGZLNSKXUNQ-PWDZPPDVSA-N 457.914 2.153 10 20 JECD C[C@@H](Cc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799770384 TUEGNSZSHBJSNB-NTNQKNOYSA-N 459.930 2.228 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2nccn12)C1=NN(c2ccccc2)C(=O)C1 1801018736 BZUQSTYYZCLBBW-GGPHIMKMSA-N 456.506 2.379 10 20 JECD C[C@H](NNc1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1802516273 GZYBCHCNVCPENG-TXBYWVTISA-N 476.537 2.213 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3cccnn3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808000634 NWGSHYLIBONZIB-OPAMFIHVSA-N 458.478 2.169 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cn2cc(F)ccc2n1 1809847176 JYIGIBHAHMQYDE-NYHFZMIOSA-N 476.468 2.308 10 20 JECD O=C(CCN1CCCC1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1814265453 ORLKOJFVDKVBCX-QFQXNSOFSA-N 488.592 2.366 10 20 JECD CC(C)N1CCC(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)CC1 1816721278 IPDYVWIHSVEEQW-HNNXBMFYSA-N 459.572 2.296 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3nc[nH]c3c1)CC2)c1cc(O)nc(O)c1 1816726785 ZQWSVGQHCRHWTA-GFCCVEGCSA-N 450.480 2.365 10 20 JECD CCCC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146845 IXXFVIVQAUGZBD-JXFKEZNVSA-N 493.568 2.500 10 20 JECD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1)n1cccc1C=O 1823497120 ABMCOIITXABXPJ-CJNGLKHVSA-N 488.595 2.137 10 20 JECD COc1ncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cc1F 1823497170 RRCLIGALWCHJQC-CQSZACIVSA-N 492.558 2.119 10 20 JECD NC(=O)c1ncccc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708322 RTIGLLNMPZMNIC-SNVBAGLBSA-N 487.925 2.241 10 20 JECD CC[C@H](NC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827036964 MRARRUOJMQTCNM-UNMCSNQZSA-N 453.587 2.397 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)C2=COCCC2)CC1 1831920221 ANWMMUDJXDJBMK-QGZVFWFLSA-N 451.614 2.161 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c3cccc(Cl)c13)CCO2 1837182439 WNSYOXASBMFRFG-QHCPKHFHSA-N 486.912 2.011 10 20 JECD C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1843986103 FVCMLNFRZKUNMH-BEFAXECRSA-N 474.558 2.345 10 20 JECD O=C(c1ncc(OC(F)F)cc1Cl)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055708 MFCURHKYXLUUFQ-UHFFFAOYSA-N 490.941 2.014 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)OC(C)(C)C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 743120180 NHIXXXDLWCNKBE-AWEZNQCLSA-N 479.555 2.381 10 20 JECD CN(C)c1ccc(CNC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1F 746978618 XVHIZKPVICRQCL-UHFFFAOYSA-N 479.534 2.235 10 20 JECD CN(C)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1F 746979905 YGYDXUPFHXBUEG-UHFFFAOYSA-N 478.575 2.113 10 20 JECD CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)C3=NC=CN4CCS(=O)(=O)N=C34)c2C)cc1 844198616 LDLRYKMPVOUGAN-UHFFFAOYSA-N 484.534 2.188 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NC[C@@H](c3ccc(C)o3)N3CCOCC3)CC2)cc1 916198958 SKWVHKMFCOAXMD-DEOSSOPVSA-N 485.629 2.481 10 20 JECD COC(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 917273716 GZESGWDITWHSSZ-HUUCEWRRSA-N 459.474 2.094 10 20 JECD CNS(=O)(=O)c1cccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 918213271 OTRDYGSNOMMRDU-IYBDPMFKSA-N 464.563 2.347 10 20 JECD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 921193536 WYWQISDMSIPYIZ-IBGZPJMESA-N 457.552 2.105 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc3ncccc3c1)C2)c1cc(O)nc(O)c1 1777849678 YABXJCBWBZCPKX-QFQXNSOFSA-N 476.533 2.411 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1780128684 UOLMPRNDIRBMQQ-DEOSSOPVSA-N 490.940 2.270 10 20 JECD COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1781119506 LRHKQCNVDFXJNZ-FKIQKUJBSA-N 494.972 2.468 10 20 JECD CCCCCc1ncc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)s1 1782717433 BQSLEQYVCLYPQY-OAQYLSRUSA-N 496.680 2.180 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)C2)C1 1785385259 UMGDKPGDZUYXMT-KPHUOKFYSA-N 457.449 2.305 10 20 JECD C[C@@H](Sc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510263 JCHKMKUIRIOCSH-AYGOZVFFSA-N 485.562 2.222 10 20 JECD O=C(Cc1ccccc1C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1786522394 BRWLCYLCEIPINV-ZVZYQTTQSA-N 479.455 2.348 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)nn3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790245220 YJKAWERHQLZLHP-PKWAYOAASA-N 467.309 2.102 10 20 JECD COC(=O)[C@@H]1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)C3)C1 1793098947 LIGKLUJHPOPJQL-RISVGRPXSA-N 466.538 2.007 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ncccc1-c1ccccc1 1796649482 CRKSLWAXYWPHHW-OPMZPASUSA-N 460.490 2.072 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2c(Cl)cccc2n1 1797374667 RYUMMGSRXBYUFL-CLLJXQQHSA-N 477.999 2.100 10 20 JECD CC(C)(C)OC(=O)N1CC(C)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1797891070 GLKJVRNINNGTLF-MUJYYYPQSA-N 460.531 2.002 10 20 JECD O=C(/C=C/c1ccc(Br)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1800793820 BBXCVTCPISJBBB-NCLGQRILSA-N 488.338 2.172 10 20 JECD CN(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2)c1ccc(Cl)cc1 1801397873 PHGLBYIOGZVZEG-AXVVYFOYSA-N 495.070 2.441 10 20 JECD Cc1cc(F)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1 1802079589 LJPFDFCMLNYEKW-SCLBAFNVSA-N 456.470 2.168 10 20 JECD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)on1 1804254827 QPGRSUZLHRXUSD-KBMIEXCESA-N 486.532 2.419 10 20 JECD Cc1ncoc1C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1805860658 WVXFFKQTIBWICM-AVRDEDQJSA-N 472.505 2.491 10 20 JECD Cc1nnc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2c2cccnc2)o1 1807478270 GQNCNBUJBBNEIG-VLIAUNLRSA-N 471.901 2.400 10 20 JECD O=C(CCc1ncc[nH]1)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813274943 ZFWQCKNHNYIZGF-KBMIEXCESA-N 485.548 2.236 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc(F)cn1 1816590065 BWFJBEOJGSORMW-CQSZACIVSA-N 462.532 2.110 10 20 JECD O=C(CN1CCOCC1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1817149264 MAYKGGYMYNQXFH-MRXNPFEDSA-N 463.922 2.112 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCCO1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817356786 CXWVFNPCIMACAB-KDOFPFPSSA-N 467.551 2.417 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848370 GKNHZJXWJPUXRL-XJKSGUPXSA-N 452.471 2.384 10 20 JECD C[C@@H](Oc1cccnc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848708 YFSLCYJAUPJNDP-CXAGYDPISA-N 452.471 2.384 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cc4ncsc4[nH]3)sc2C1 1820233423 UJYPRSIYXTVTEE-QMMMGPOBSA-N 492.633 2.167 10 20 JECD Cc1ocnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1820847872 ZBQQIUFRWPDQEP-ZDUSSCGKSA-N 464.507 2.458 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)[C@H]1CCOC1 1822949511 FKVXJUANWGKWBW-HNAYVOBHSA-N 450.499 2.231 10 20 JECD O=C(CN1CCCCC1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1825866185 VRMKUIFXJLVZCB-GFCCVEGCSA-N 478.958 2.446 10 20 JECD Cn1cnc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)c1 1826117110 JCRQROBMUUHVOC-JOCHJYFZSA-N 462.554 2.446 10 20 JECD C[C@H](Oc1ccccn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1826806879 TYAIDDFCYIENSU-AAEUAGOBSA-N 455.496 2.038 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714791 IEGHXCAHCDTOOB-FYYLOGMGSA-N 481.597 2.314 10 20 JECD Cc1occc1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828240131 NPNYTGKMGWVSNJ-SNVBAGLBSA-N 450.567 2.131 10 20 JECD Cc1ccn2c(=O)c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)cnc2c1 1828289924 NFNGVUQGYGURER-FQEVSTJZSA-N 491.548 2.356 10 20 JECD O=C(Cc1ccccn1)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1834891260 BFIQNIQSPPVQQL-FNORWQNLSA-N 480.565 2.026 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)CC1)c1cc(O)nc(O)c1 1834988914 SDZZBGPZTUMMIY-UHFFFAOYSA-N 490.564 2.382 10 20 JECD COc1c(Br)cccc1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1845324874 NRNGLWSYHYNTKL-UHFFFAOYSA-N 462.300 2.395 10 20 JECD O=C(c1n[nH]c2c1CCc1ncccc1-2)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038921 VEVMYYIIVRZLLE-WEVVVXLNSA-N 487.516 2.218 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)cc2F)C[C@@H](C)O1 750130799 CAGTUVKJEYRRHS-FUHIMQAGSA-N 475.561 2.247 10 20 JECD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2)cc1[N+](=O)[O-] 751260552 DHENKSIZONXKJI-UHFFFAOYSA-N 451.486 2.238 10 20 JECD Nn1c(COc2ccc(F)cc2)nnc1SCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 917199573 DJNQIFBUNKMOAY-UHFFFAOYSA-N 490.536 2.094 10 20 JECD O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 918442824 PXQBVUQPHLJFOB-QHCPKHFHSA-N 480.565 2.268 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)cc1 918461009 MTWVJUDACBFDBJ-UHFFFAOYSA-N 463.538 2.170 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)C3(OC)CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 919518705 YUBWJVWTRAQCJR-UHFFFAOYSA-N 491.585 2.303 10 20 JECD CC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919799951 MFVJAAGDEWKARW-UHFFFAOYSA-N 476.512 2.400 10 20 JECD C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 920868725 KRPYKLDOAHQTGE-IBGZPJMESA-N 488.610 2.105 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc(C)c1O 1777851682 OQHMWODVYXDHFW-HOYKHHGWSA-N 455.511 2.257 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cc(Cl)cc3nn[nH]c13)CCO2 1782007179 LIYQBRAPLBAJFI-NRFANRHFSA-N 492.319 2.433 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)C2 1783221966 VPTCFSHKBHGSMC-ZREIBLAZSA-N 472.563 2.206 10 20 JECD O=C(Cn1ccnn1)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1 1788672595 WPOLPHPQAFXZQQ-UHFFFAOYSA-N 457.494 2.205 10 20 JECD Cc1nn(C)c(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790243154 UQFAVNNHRYJGDB-YEWWUXTCSA-N 462.934 2.009 10 20 JECD COc1cc(C)ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1791939362 HQBKVXFDLDGJJD-XZOYJPPVSA-N 490.560 2.390 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(F)c(F)c1)C2)C1=NN(c2ccccc2)C(=O)C1 1796479080 BHPMPHXNXZFPIU-LWDWJGHZSA-N 496.514 2.280 10 20 JECD C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796935556 SWMGKKMCEOAYLZ-CMCXCUNFSA-N 487.560 2.236 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1c[nH]c3ncccc13)C2)c1cc(O)c(O)c(Cl)c1 1799770404 VJDUBPNXZOHJDJ-VPTLXERWSA-N 484.940 2.464 10 20 JECD CSCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1801029366 XNPBHIMYYAJNDJ-MQFRRQCYSA-N 471.623 2.411 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)n1ccnc1 1803308378 MRGKPNIKJCAPHM-FPGHNAPASA-N 485.548 2.338 10 20 JECD CN1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1804186388 JRQIMAUHAGTCAQ-UWUFEASWSA-N 487.560 2.264 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)[C@@H]1C[C@@H]1c1ccc(F)cc1 1804334817 WGHOKWWPRVTHTM-CWQOZTLDSA-N 461.584 2.428 10 20 JECD CN(CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2)C(=O)OC(C)(C)C 1804389430 APQYCMIGAPLKLM-BJWYYQGGSA-N 462.547 2.392 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)[C@H]3CCc4ccoc4C3)C2)CC1 1805706810 ZUZXLQAUYHCVPL-KRWDZBQOSA-N 475.636 2.476 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccno2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808464267 KDOXWUKDXHCSQS-VGSWGCGISA-N 458.478 2.182 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccc(=O)oc2)[C@H]1c1cccnc1 1814162598 NEPZEOQEFGQDRQ-JFWNXEFNSA-N 477.473 2.185 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)CCOc2ccccc2)[C@@H]1c1cccnc1 1814185665 DURGXWQNJPRWEH-FDDCHVKYSA-N 498.630 2.417 10 20 JECD Cc1cnc2c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)cnn2c1 1817846296 PSPKZRICUJAPJB-INIZCTEOSA-N 462.470 2.187 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)[C@@H]1[C@H]2COC[C@H]21 1823063352 QFMNTNHZZDQZEA-WNUFMEJXSA-N 454.483 2.124 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc(O)c([N+](=O)[O-])c1 1823223863 LVYABACRQZXKIB-LLVKDONJSA-N 471.451 2.103 10 20 JECD COC(=O)c1ccc(OCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)cc1 1823601155 YBAOVTPEMHZACM-GOSISDBHSA-N 495.492 2.387 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1829127426 LKXBOMBNBMZREK-AEFFLSMTSA-N 489.667 2.362 10 20 JECD O=C(CN1CCCCC1=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878289 JLHWEVNBJGJGAP-MFUYTVRRSA-N 485.581 2.449 10 20 JECD O=C(CC1CCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1834661122 GGSPPJGMBBOUMG-JOCHJYFZSA-N 452.935 2.402 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)C3CCC4(CC3)OCCO4)CC2)CC1 1838031702 FNRUCNYFMCOYFR-UHFFFAOYSA-N 489.569 2.038 10 20 JECD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)c(C)n1 1838363447 BMIKAKGZDQQJAZ-HSZRJFAPSA-N 475.929 2.147 10 20 JECD Cn1nc(Br)c2ccc(C(=O)N3CC4(CCCN4C(=O)c4cc(O)nc(O)c4)C3)cc21 1843249822 DFGQDNFIAXDGLK-UHFFFAOYSA-N 486.326 2.273 10 20 JECD CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1846485074 DCFURKZFOBMKOS-OAHLLOKOSA-N 493.944 2.494 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C\c1c[nH]c2ccccc12 1848141551 UFBMSPQOSVZPGB-SLXDBMQSSA-N 454.577 2.243 10 20 JECD CS(=O)(=O)NCCN1C(=O)/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)SC1=S 727177488 KOOWGDXPNLSTLO-FOWTUZBSSA-N 470.598 2.336 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN3CCC[C@H](c4nnc5n4CCC5)C3)cc2F)C[C@@H](C)O1 728915848 VYEOLGZMFCQBCW-NSHGMRRFSA-N 470.593 2.473 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1 729067639 WDUVWJKMFZENIF-NSHDSACASA-N 455.920 2.120 10 20 JECD COc1ccc(N2CCN(C(=O)CNc3cccc(C(=O)N4CCC(O)CC4)c3)CC2)cc1 750606376 SGVQJGLCLHXQRJ-UHFFFAOYSA-N 452.555 2.053 10 20 JECD Cc1noc(CCCC(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)n1 915451011 OPCCNAGPMPTKFT-UHFFFAOYSA-N 460.512 2.182 10 20 JECD C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 916967983 KCJBTYWFNBRYSR-KRWDZBQOSA-N 463.575 2.375 10 20 JECD COc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)c(OC)c1 918081975 VXLNCXDYELRUGS-UHFFFAOYSA-N 486.544 2.347 10 20 JECD O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccccc1C(=O)N1CCCC1 918284567 JNBULSPGHZUDJI-UHFFFAOYSA-N 454.502 2.153 10 20 JECD COCCN1C(=O)/C(=C/Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C(=O)NC1=S 920978802 IXXBHTWHHHDLMI-FOWTUZBSSA-N 454.464 2.011 10 20 JECD COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 921065913 UOBCJBMRVWZRSO-FNORWQNLSA-N 494.541 2.344 10 20 JECD CC(C)c1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)no1 1785211505 USVBSAVLJMIPOU-JDFRZJQESA-N 478.933 2.094 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3N3CCCCC3)C[C@@H]21)c1cc(O)nc(O)c1 1787294128 BNDXDVLQUGGLQA-XJABCFGWSA-N 480.565 2.390 10 20 JECD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C[C@@H]32)cc1 1789618554 ATMNVQFIHTWQEO-IAKIHLPXSA-N 452.507 2.419 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243305 FTVRQFJFRMCCLC-KPHUOKFYSA-N 474.897 2.387 10 20 JECD CSc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1O 1802080292 MWZURQQWMQRNIS-SYSDTLGTSA-N 486.546 2.148 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(F)CCCC=C1F 1802210166 YFJIDWGCQAXNLU-MZIBIZNLSA-N 472.492 2.115 10 20 JECD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1804751279 JFHSQXPQPZWBFD-UHFFFAOYSA-N 454.483 2.489 10 20 JECD COc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807991135 GBDQTYNILUPRPJ-OSPHWJPCSA-N 478.505 2.295 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(Cl)nc3n[nH]cc23)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994962 WPDBNFBDSIAHNI-RNODOKPDSA-N 493.911 2.446 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc2ncoc2c1 1809410566 NAACZMUBVAMEOJ-KKSFZXQISA-N 495.586 2.403 10 20 JECD C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)O1 1809563188 ZNVBRAXTOBSQLV-HOGCLUDVSA-N 467.522 2.485 10 20 JECD CC(=O)Nc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)o1 1810298887 XIRXFBCHQMEOFF-BTYIYWSLSA-N 465.466 2.073 10 20 JECD COC(=O)CSCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811796529 IWOFTOQKJKHTGM-XOBRGWDASA-N 493.969 2.372 10 20 JECD CCC1(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)COC1 1812488367 ABWXFQWYOZLGIN-WMZHIEFXSA-N 475.549 2.307 10 20 JECD Cc1cccnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815403468 ZNXLGPDTSBBNBR-AWEZNQCLSA-N 458.569 2.279 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cc2cnccn2)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146172 VAGABZBNRZBIIK-HXUWFJFHSA-N 472.509 2.227 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3ccc4cnccc4n3)sc2C1)c1cc(O)nc(O)c1 1818193469 NHHGXSPKOCSVOK-ZDUSSCGKSA-N 462.491 2.432 10 20 JECD CC(=O)N/C(=C\c1ccco1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1821220531 HWJUTDZVKBUGKM-UWKDKTGGSA-N 480.481 2.292 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2cscn2)CC1 1825990269 AJIZCCUZJDKPNK-HNNXBMFYSA-N 452.627 2.237 10 20 JECD CCSc1ncccc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834985848 XQYBIJUOOPBEBR-UHFFFAOYSA-N 485.610 2.499 10 20 JECD C/C(=C\c1ccc(C)o1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1837583126 CHESRSYWYCCJSE-CNJKNYJSSA-N 498.532 2.278 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)c1sccc1Cl)CCO2 1838227907 RLLQYEBXYWHPJG-YSNSILARSA-N 494.953 2.302 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)C[C@H]2COc3ccccc3O2)C1 1841549922 BTBQVDBDWXMHCL-LKUPDRCFSA-N 466.490 2.250 10 20 JECD Cc1c(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)cc(Cl)cc1[N+](=O)[O-] 1847054707 LYTLOKKQDOAMRU-UHFFFAOYSA-N 482.971 2.234 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 728144631 LBZJBYKDHDGTIR-UHFFFAOYSA-N 456.518 2.395 10 20 JECD CC[C@@H]1CO[C@@H](C)CN1CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 777653063 QTQXMVGVDLKQCM-SYYUJBFQSA-N 477.608 2.232 10 20 JECD COc1ccc(-n2c(C)cc(C(=O)N3CCN(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)c2C)cc1 914761773 BANIRPCXYKDZBF-OALUTQOASA-N 490.626 2.215 10 20 JECD COC(=O)CNC(=O)c1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 916673005 BFCPMQXKBAKOER-UHFFFAOYSA-N 454.527 2.120 10 20 JECD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1 918372208 XEMFHBPJHXQNIJ-UHFFFAOYSA-N 477.583 2.059 10 20 JECD Cc1nc(C)c(CCC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(O)n1 919761617 NAKNJNVMKYCJCV-UHFFFAOYSA-N 465.533 2.304 10 20 JECD Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1 1781652020 STTMKPYQDVXWBL-RUZDIDTESA-N 464.497 2.371 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782001500 MTEQSVUFZWWSOQ-FPTDNZKUSA-N 460.918 2.090 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)[C@@H]1C[C@H]1c1ccccc1 1782132038 CXBZARHWPFOWBJ-IPRDPGLQSA-N 487.647 2.164 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cncc(F)c1)C2 1783220109 RALBWTCEVGHIDO-OFAFLBDBSA-N 471.485 2.178 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)C1CCSCC1 1783292570 TYKOMRZAECYWCC-PXDATVDWSA-N 484.622 2.436 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4ccccc43)C2)C1 1784110176 NRSWJKXLVZGPMU-FGYHGZIESA-N 464.518 2.377 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-c4cccnc4)cc3)C[C@@H]21)c1cc(O)nc(O)c1 1787295444 UAAOEOZNDIDYJM-BVSLBCMMSA-N 474.517 2.462 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C[C@@H]21 1788755541 PLYOJBVEZTWULK-OHCFRWENSA-N 478.593 2.378 10 20 JECD Cn1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)c1Cl 1789084403 PJDOESLABOQRMW-NKFCBESUSA-N 469.325 2.045 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4nccc34)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790246008 CEMDEGOBDFYZLI-RISOHXOYSA-N 470.913 2.306 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)[C@H]2C1 1792150471 URZWDMCUZYYRGT-PTTAZLHSSA-N 471.476 2.455 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(F)(F)F 1795076758 QYJUKPZDAUNOQV-ZSBIGDGJSA-N 472.514 2.213 10 20 JECD CC(=O)Nc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)ccn1 1797247656 FLFZXIHLFWGXBF-ZXRXUGKRSA-N 466.494 2.122 10 20 JECD Cn1ncc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)c(O)c(Cl)c3)ccc21 1799768077 JDGBEQPUKGAMEE-CWPLJXCYSA-N 470.913 2.155 10 20 JECD N[C@@H](CC(=O)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1)c1cccnc1 1809885128 XSBHBXMBYKTMJT-QFIPXVFZSA-N 488.592 2.496 10 20 JECD COc1ccsc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1811161787 HRXAZCUGHSOLOS-RDTXWAMCSA-N 490.632 2.332 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCN(C(=O)CNC(=N)N)[C@H]2c2cccnc2)cc1 1811265573 ZEQDBQVOOVZJKD-URXFXBBRSA-N 473.581 2.292 10 20 JECD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)on1 1814161530 HOZDJQQCCPLMSE-OYOQQZMJSA-N 478.505 2.457 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2c[nH]c3ncccc23)[C@@H]1c1cccnc1 1814188885 DAJLSEXUEDTNTP-MGPUTAFESA-N 494.602 2.138 10 20 JECD CCc1noc(C)c1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814188939 GAMHJFSGFNVPQE-YWZLYKJASA-N 487.607 2.120 10 20 JECD CC(C)n1nccc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814189165 MTQCXWKMODSLQW-JXFKEZNVSA-N 486.623 2.039 10 20 JECD Cn1ncc2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cc(O)nc(O)c3)CC4)ccc21 1818546171 QURGMSNCRCQBGK-CQSZACIVSA-N 464.507 2.376 10 20 JECD COc1ccccc1CC(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828250478 SYVVGUUITITZDH-CYBMUJFWSA-N 490.632 2.167 10 20 JECD CCS(=O)(=O)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830736903 FYBGGWJPSRYEIJ-QGZVFWFLSA-N 472.991 2.419 10 20 JECD O=C(O)CSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1831885898 IGUPSNQTNGSVHX-QQOXCAACSA-N 478.567 2.254 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)s1)CCO2 1833219052 QYTGFLNGIHPGRT-FQEVSTJZSA-N 470.906 2.336 10 20 JECD CC(C)(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)cc1 1836419177 WYHQIPSXDJSDGG-RUZDIDTESA-N 485.537 2.054 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)c4ccco4)C3)C2)cc1 1839348977 WUOULMAKSSAKJC-SQHAQQRYSA-N 493.560 2.491 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3Cl)C2)C1 1839432583 QRFBOCAXGBVDKL-NRFANRHFSA-N 482.320 2.183 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)C1 1839432703 XRDKKBBCRHASOY-JOCHJYFZSA-N 477.901 2.000 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 747010800 HROITRJSLUMMNZ-UHFFFAOYSA-N 450.536 2.177 10 20 JECD O=S1(=O)CC[C@@H](NS(=O)(=O)c2ccc(NCc3c(O)cccc3Br)cc2)C1 863993743 SDDWTGKMQMGPLO-CYBMUJFWSA-N 475.386 2.232 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)CC2)cc1 907744989 GKMJGRISGMQTSO-QFIPXVFZSA-N 467.522 2.318 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3sccc3S(=O)(=O)N3CCCC3)cc2)C1 917834806 QOIZYENZIOHFNZ-KRWDZBQOSA-N 476.624 2.164 10 20 JECD CN1CCN([C@H](CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2cccs2)CC1 918117384 DDUSCAVJDSJHRD-RBBKRZOGSA-N 484.670 2.238 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC(N2CCNC2=O)CC1 918213942 NQDMZWJRAKIXKT-UHFFFAOYSA-N 455.481 2.241 10 20 JECD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)c1 918218322 VNPCXWJOLCJOHD-UHFFFAOYSA-N 490.601 2.495 10 20 JECD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2ccccc2O1 918297257 OIHFFRFARFXEBD-XXBNENTESA-N 481.549 2.220 10 20 JECD CCN1CCN(Cc2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2)CC1 918438588 IEUUIZSCRJKBIF-UHFFFAOYSA-N 497.615 2.179 10 20 JECD CNC(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1Cl 918442261 CUSAGTWVKJJTKY-UHFFFAOYSA-N 458.946 2.163 10 20 JECD O=C(COC(=O)CSc1nnc(-c2ccco2)o1)NCc1ccc(N2CCOCC2)c(F)c1 918948840 KYCDLOQTZOYWOY-UHFFFAOYSA-N 476.486 2.257 10 20 JECD C[C@H](NC(=O)C1CCCC1)C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 919353491 KLYRKRPFTHBXAO-ZACQAIPSSA-N 463.550 2.294 10 20 JECD C[C@@H]1CN(Cc2csc(NC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)n2)C[C@@H](C)O1 920940047 SCPNYKUPXOWKSH-IAGOWNOFSA-N 493.655 2.309 10 20 JECD CN1CCC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)CC1 1781119569 ORHIZGLRICEBII-AUSIDOKSSA-N 465.978 2.221 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)C1(c3ccccc3)CCCC1)CCO2 1785539010 DGTFPEYUXYUSEQ-HSZRJFAPSA-N 487.647 2.189 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)cn3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539699 QKNCLJQZWWXCCA-XERREHJYSA-N 481.940 2.121 10 20 JECD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccc(O)cc1 1789884828 NLROSKVAHAPLIZ-YQOCOVSOSA-N 490.560 2.268 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1ccc(CCN2CCCC2)nc1 1796601259 KXZNBOBRCOWSCB-WKCHPHFGSA-N 465.554 2.092 10 20 JECD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c(C)c1 1798856620 JNIMLBRBUNZPHW-NHKMSHSESA-N 460.534 2.300 10 20 JECD CC(C)c1nc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)co1 1804840970 OHTTWXNKHSLYBF-KXBFYZLASA-N 487.607 2.373 10 20 JECD O=Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)s1 1807993367 JCDSJOCHGRGKCM-VBKZILBWSA-N 452.492 2.395 10 20 JECD O=C(COc1cc(Cl)ccn1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810492395 DSUYKJIVNPXGSR-OYHNWAKOSA-N 483.912 2.335 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811803360 IGGNNXJPGRWSCN-PSGMQZRDSA-N 474.945 2.333 10 20 JECD CN1CCCC[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361731 DAGMWCPLJAJICP-BEFAXECRSA-N 480.594 2.332 10 20 JECD C=CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821291744 CEWGXTAZIMHMKJ-XHDPSFHLSA-N 461.906 2.471 10 20 JECD C[C@H](Oc1ccccn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823501168 ONOFDPVFNUGQME-ZFWWWQNUSA-N 488.595 2.125 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714582 GFNYQUQUNNNVRX-QFIPXVFZSA-N 481.597 2.314 10 20 JECD NC(=O)c1nccnc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1829510531 AADZVKGACZMFRT-INIZCTEOSA-N 487.944 2.187 10 20 JECD Cn1cc(F)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902084 KAVQMMBJTDAJTK-MRXNPFEDSA-N 466.604 2.258 10 20 JECD O=C([C@H]1Cc2ccccc2O1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902831 YVPFFVRTEGQHMY-UYAOXDASSA-N 487.647 2.470 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)C1CC(F)(F)C1 1833132036 ULNNBDBWUUKEHY-DUXPYHPUSA-N 479.524 2.434 10 20 JECD CCc1nc2ccc(Cl)cn2c1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1843311069 MGTKDYHLDVDLOM-UHFFFAOYSA-N 455.902 2.487 10 20 JECD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843443069 MUFJNUBKFKXFFY-GOSISDBHSA-N 483.569 2.286 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)CS[C@H]2CCCCO2)C1 1844290469 RNVQCNXSAQTYGV-NRFANRHFSA-N 456.568 2.243 10 20 JECD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)c2ccccc2O1 750340164 GDOMKFODXDBIRS-JOCHJYFZSA-N 452.555 2.468 10 20 JECD CN(CC(=O)NC1CC1)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 914438370 UKWVLNGJFVFKBI-ZSOIEALJSA-N 468.398 2.387 10 20 JECD COc1ccc(N2CCCN(C(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 917821385 DRKZWJNSGRBQCO-UHFFFAOYSA-N 477.558 2.208 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(CCN4CCOCC4)cc3)CC2)cc1 918461441 CFQULGNNKQFEPE-UHFFFAOYSA-N 466.582 2.247 10 20 JECD Cc1cc(C(=O)COC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c(C)n1-c1ccc2c(c1)OCCO2 919246949 JONUDRGZGPWTKZ-IBGZPJMESA-N 476.551 2.405 10 20 JECD O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccc(S(=O)(=O)NC2CCCC2)c1 919840025 OBPWDMPEMGSDNO-UHFFFAOYSA-N 477.608 2.395 10 20 JECD CC1=CC[C@H](C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)CC1 1778100580 HWHSSMFVPODYPM-UQBPGWFLSA-N 450.539 2.356 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)cn1 1778126014 BKUFSUHBJSWNMN-ATIYNZHBSA-N 475.549 2.310 10 20 JECD Cc1cc(O)c(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc1Br 1781958238 XDQXGZPKEACBNB-OAQYLSRUSA-N 492.326 2.027 10 20 JECD Cc1cc(F)cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)c1 1787541516 SIKUDQTZLPBTSV-APTRMMRNSA-N 492.551 2.449 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cnc2ccccn12)C1=NN(c2ccccc2)C(=O)C1 1793062141 GINOIYWYSJXSPY-FNLKRUPLSA-N 470.533 2.308 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)[C@@H](F)C1 1793420107 PZACENNSBFMWEA-ILOCAZANSA-N 492.548 2.340 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C)C2 1796307442 JKPHWJIKCZRQBP-KOUHRCEDSA-N 488.629 2.340 10 20 JECD CC(F)(F)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802078797 IBOUNPJGBATMFS-SENIXGGLSA-N 454.470 2.088 10 20 JECD Cc1nnc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)s1 1804558951 JIPFCHMNABBBIL-YCRPNKLZSA-N 468.539 2.000 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)ccc1O 1814190159 RRHOTMPIQVSWJA-DYESRHJHSA-N 484.603 2.276 10 20 JECD Cc1nnc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC3)o1 1815494253 NQYNCQGJABDFNY-JTQLQIEISA-N 463.903 2.368 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CC(c3ccccc3)=NO1)CC2)c1cc(O)nc(O)c1 1816720549 XUNZISUISVURPR-YOEHRIQHSA-N 479.518 2.368 10 20 JECD CC(=O)Nc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)o1 1816724840 AOIRMXOXNKRPFU-NSHDSACASA-N 457.468 2.040 10 20 JECD COC(=O)CCCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728534 RXTQATHUUXBMCI-CYBMUJFWSA-N 462.528 2.299 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccc2nccn2c1 1818537458 CYYRQLWMXRQRAC-ZDUSSCGKSA-N 450.480 2.137 10 20 JECD C/C(=C\c1cccnc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1826778322 GFTQRZHCHGHAFV-WEKMIXOTSA-N 487.632 2.414 10 20 JECD Cn1ccc(C(=O)NC2CCN(C3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)c1 1834077265 OKIFZSHECNKXPB-UHFFFAOYSA-N 476.581 2.003 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccon2)CCO3)cc1 1834489699 WRFXBKYRUXAHBJ-VWLOTQADSA-N 464.522 2.466 10 20 JECD Cc1nc2ccccn2c1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031450 DVFGIYQXLSBSAE-UHFFFAOYSA-N 479.537 2.375 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3onc4ccccc34)C2)C1 1839433339 RQYLLCBHERMUQH-QHCPKHFHSA-N 487.896 2.276 10 20 JECD O=C([C@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847050977 OBVMAYUZSPJJKI-KGLIPLIRSA-N 465.547 2.132 10 20 JECD Cc1nc(-c2ccccn2)sc1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054407 PMCPIBUTEUCAQO-UHFFFAOYSA-N 487.632 2.191 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCCO1 1847313576 BVOJODZVBOFLIQ-MLNNCEHLSA-N 486.613 2.476 10 20 JECD COc1ccc(-c2noc(C[S@](=O)CC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 729875473 BSCFOWZKHPECMZ-XIFFEERXSA-N 470.551 2.351 10 20 JECD C[C@H](NC(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1 744859464 SGSNDDWKLAHVJZ-IBGZPJMESA-N 461.607 2.436 10 20 JECD O=C(CN(CCO)Cc1ccccc1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 754251545 VIDSHKBTUYJUGG-FYJGNVAPSA-N 499.614 2.227 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)CC2)cc1 913126273 MDOWVFPLBDYMSS-GOSISDBHSA-N 499.543 2.424 10 20 JECD COc1ccccc1C(=O)N1CCN(Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)CC1 917448967 BXMGUFHZIPKHQB-UHFFFAOYSA-N 467.566 2.394 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)N3CCN(c4ncnc5c4cnn5C)CC3)cc2F)C[C@@H](C)O1 918223213 YMGVCIDQZQCNQM-CALCHBBNSA-N 482.564 2.148 10 20 JECD O=C(CCCc1nc(O)c2ccccc2n1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918335012 JVKNFYIWRFVRMS-UHFFFAOYSA-N 454.552 2.209 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 919970699 VVHABSSCZUIIRE-HXUWFJFHSA-N 491.585 2.174 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)c3cnccc3Cl)C2)C1 1779369935 ZQMXVSHLJYEEHQ-WYAMSBGYSA-N 459.886 2.009 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1792848177 SKKITISMWTVSGH-ZCXXSHFCSA-N 475.542 2.368 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3cccc(F)c3)CC1)C2)C1=NN(c2ccccc2)C(=O)C1 1796480858 XOLJGUSBSGISAF-MRSFGVLCSA-N 490.535 2.240 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(C(F)(F)F)c1)C2 1802081071 MZSQDZOEYAUOLD-PZPAOMODSA-N 493.438 2.134 10 20 JECD O=C(Cc1ccc(F)cc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1806576451 ZFEJBVMDXZWSGW-HTAPYJJXSA-N 486.594 2.330 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)nn1C 1808464276 KGNZTYAGDWDODF-NTKDMRAZSA-N 485.548 2.236 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1onc2ccccc12 1812167071 JDQSLKLKWHQUPH-QRWLVFNGSA-N 495.586 2.403 10 20 JECD COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)cc1 1813966180 TVZBYELIOPCTKM-ZDUSSCGKSA-N 490.632 2.167 10 20 JECD CN1CCC[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1815493419 BKJGDBMQQWFPRR-CSTAJBCFSA-N 455.515 2.326 10 20 JECD CCOC(=O)c1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)ccn1 1816727406 SXNOQFLZLQGTNI-ZDUSSCGKSA-N 483.506 2.061 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)[nH]n1)c1cc(O)nc(O)c1 1817847385 YTFARHUXZVLGDJ-INIZCTEOSA-N 468.426 2.449 10 20 JECD Cn1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)cn1 1823476354 ABOOTVRUSPKTEZ-BVBGJJFLSA-N 452.471 2.279 10 20 JECD Cn1cccc1C(=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823480496 ZJXZIZVGAIDSCD-DZZUKKPASA-N 479.493 2.453 10 20 JECD C[C@H](Nc1cccnc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823497432 DKJBQFSVLCNJJW-XJKSGUPXSA-N 487.611 2.158 10 20 JECD COc1ccnc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)c1OC 1827427576 DNDFEBGXIUYXMG-KRWDZBQOSA-N 470.526 2.452 10 20 JECD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827687820 COXNPRDFMXZALH-JPYJTQIMSA-N 481.597 2.266 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCCOC3)sc2C1 1828192349 JZSCEQGGIGFEII-RFHLNLMPSA-N 459.524 2.312 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)CSc1ncccn1)CC2 1828198452 FRNQCEVBKKEDSM-LPZVBRGNSA-N 499.574 2.468 10 20 JECD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)n1cccn1 1828200384 PMWCNICIXLBQBV-BILJCIPTSA-N 469.523 2.343 10 20 JECD Cc1ncncc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1835972774 OCCJZEKDSMLBRG-UHFFFAOYSA-N 473.961 2.349 10 20 JECD Cc1cc(C)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)c1 1838947147 YVMNKPTZEBMINH-HHHXNRCGSA-N 490.560 2.166 10 20 JECD Cc1cc(C)nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1 1839433991 IDEIBEZLYHANPD-QHCPKHFHSA-N 475.929 2.147 10 20 JECD Cc1nc2ccccn2c1C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441866 XBHCLCFDMAZYHT-UHFFFAOYSA-N 456.506 2.253 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)C2=C3c4ccccc4C(=O)N3CC2)C1 1844651508 XPPBMDNRVPNIRR-VQHVLOKHSA-N 487.512 2.291 10 20 JECD C[C@H]1Oc2ccc(C(=O)N3CCCC34CN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)cc2NC1=O 1844731284 QCKAOWBLZDTBEN-LHRNQBEKSA-N 479.489 2.053 10 20 JECD CC(C)(C)OC(=O)N1CC(CC(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)C1 1847025200 DWLQNZNZLRZNIN-UHFFFAOYSA-N 495.580 2.240 10 20 JECD COc1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)cc1N(C)C 1847038300 NFZJBNUCETWDCW-JXMROGBWSA-N 467.522 2.408 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 16134830 DUGNRAZMOUUYDB-JOCHJYFZSA-N 473.595 2.253 10 20 JECD CC(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)n(C)c1 16697644 FXNCAVISOFHVGJ-UHFFFAOYSA-N 457.508 2.322 10 20 JECD CN(C)c1ccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)cc1 24378570 CXYKMVWRPLFMDN-IBGZPJMESA-N 451.976 2.256 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)CC2)cc1 26449370 XKAZEEXAVJARHV-GOSISDBHSA-N 469.513 2.388 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)C(C)C)ccc21 728638066 IDNKILOVUDBQAT-NQIIRXRSSA-N 464.584 2.389 10 20 JECD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 729057865 NPDACTHUYIQJSC-UHFFFAOYSA-N 456.568 2.325 10 20 JECD CC1CCN(c2ccc(CNC(=O)CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)CC1 731053203 GUGWTPFDFUJAIE-UHFFFAOYSA-N 472.611 2.219 10 20 JECD CC(C)n1nnnc1SCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 741886619 FAOFRAIOGYSCPP-NVNXTCNLSA-N 492.608 2.092 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)CC2)cc1 751385251 JIOBBVYNWVQTNQ-UHFFFAOYSA-N 475.475 2.242 10 20 JECD CS(=O)(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)n2)cc1 861959858 FUYVGMRHGWQIHW-UHFFFAOYSA-N 465.534 2.345 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 914929406 VDVSOOCYSFTZFS-INIZCTEOSA-N 475.567 2.114 10 20 JECD C[C@@H](OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 916523769 JUNDHUGTRVZVLL-ZBSNKRKSSA-N 489.484 2.053 10 20 JECD O=C(N[C@H]1CCCN(c2ncccn2)C1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 917380254 YQJHZVBXYRNYIU-INIZCTEOSA-N 498.521 2.290 10 20 JECD O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)NCc3ccc(N4CCSCC4)cc3)cc2)C1 917911670 KHJSPDSVWFEISG-KRWDZBQOSA-N 475.592 2.156 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(N4CCNC(=O)C4)c(Cl)c3)cc2)C1 918037404 OICUMDLKOCPFOS-KRWDZBQOSA-N 484.988 2.300 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cc(S(C)(=O)=O)ccc3F)cc2F)C[C@@H](C)O1 918288875 WRESDZNOUZMLOF-OKILXGFUSA-N 481.521 2.237 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 918440407 QVIBGYKSCRAVHA-UHFFFAOYSA-N 451.401 2.363 10 20 JECD CC(C)CS(=O)(=O)CCC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 919274132 CXKOQDWYOBZTLK-UHFFFAOYSA-N 457.504 2.405 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 919970518 IHUYFELGKZOCCN-QGZVFWFLSA-N 469.513 2.227 10 20 JECD COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2cccnc12 920194724 WMVKQTHEELEDCO-KRWDZBQOSA-N 461.522 2.200 10 20 JECD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1 920482396 NPRXWIOLDWJKRU-UHFFFAOYSA-N 467.569 2.112 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCN(c4cc(C)cc(C)c4)C3=O)nc12 920572305 CQOGCYXWVXLORL-QGZVFWFLSA-N 452.467 2.325 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc2nncn2c1 1779073485 LDHLGGXMAKDVTO-WZONZLPQSA-N 485.928 2.235 10 20 JECD COc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)ccn1 1779720770 IRJIPSRVFBXOBH-NPRSQMDMSA-N 483.521 2.048 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1785266570 VFSGMNOTTGDIEN-JOCHJYFZSA-N 464.877 2.140 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(F)c1)CCO2 1785509547 VGBPEOGABCPMLU-FBUBFAHDSA-N 474.460 2.167 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H]3CNc4ccccc4C3)C[C@@H]21)c1cc(O)nc(O)c1 1787291234 PPIGROZRLMCELU-UZSDIVCKSA-N 480.565 2.151 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)C[C@@H]21)c1cc(O)nc(O)c1 1787292447 RERCBFGOLZMERF-GWKKSSCLSA-N 473.476 2.168 10 20 JECD Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)cn1 1790242998 LCWWEZYBGZXRCO-KNBMTAEXSA-N 459.930 2.291 10 20 JECD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2 1800182720 RFDLPEKUMCTCLS-QKPAOTATSA-N 497.976 2.279 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1804285648 FLXCJRNJTAIFDJ-VYMNDLDVSA-N 487.553 2.322 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)c3cccnc3S)C2)CC1 1804874697 LJWDWEBLHCXNMI-UHFFFAOYSA-N 464.638 2.075 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(OCCCO)cc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996107 XXRDGJSLRCSDGV-NTKDMRAZSA-N 492.532 2.282 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccn3nccc3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807996205 NKOJPFKHCIQZTE-HTAPYJJXSA-N 458.478 2.169 10 20 JECD C[C@H](Cn1cncn1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1810478568 XYRSFORPVJKFEV-IIMJZQEZSA-N 484.944 2.394 10 20 JECD CC(C)n1nccc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810890745 MKZLUIDZEMHTFO-IIBYNOLFSA-N 450.499 2.299 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)[C@@H]1CCCOC1 1814161557 HWHMCFIJBIXGDL-LWVORNDISA-N 467.522 2.344 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCO1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817362518 RZKAKYDIIXJLJR-CXAGYDPISA-N 453.524 2.027 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)c1ccn2ccnc2c1 1819138362 OYHWGLQGRJOYMI-ZDUSSCGKSA-N 450.480 2.137 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2CCCCO2)[nH]n1 1823496068 CJESOSOTDYYYDN-DZGCQCFKSA-N 465.601 2.221 10 20 JECD Cc1ncc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)s1 1823500965 KFOPKIOJFZYYAT-CQSZACIVSA-N 478.625 2.270 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2)[S@](=O)c1ccccc1 1824569199 QFJFNNDZWPXGNT-YHPCLAIQSA-N 486.575 2.371 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(O)cc2)CC1 1830045724 OOYGTQGQQFKIDF-SFHVURJKSA-N 461.609 2.486 10 20 JECD COc1ccc([C@H]2C[C@H]2C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1833445321 ZIPNXVXZLMWFPK-DHIUTWEWSA-N 494.592 2.490 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CC3CCOCC3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132673 BVUYDOBQWGFDNU-UHFFFAOYSA-N 495.624 2.168 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNc4ccccc43)C2)C1 1839434153 QZCXXWJMZOHUIV-XDHUDOTRSA-N 487.940 2.031 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ccnc3ncccc23)C1 1845633604 LKGODIHCDDLZJN-UHFFFAOYSA-N 454.490 2.240 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCCC34CN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)[C@@H]2C1 1846134157 MPWBYVVGVZQRPV-WVBGYWIOSA-N 499.564 2.133 10 20 JECD COc1ccc(COCC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)cc1 1847036753 AUASKIVUOFHGQW-UXBLZVDNSA-N 468.506 2.245 10 20 JECD CN(C)c1cccc(OCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2=NN(c3ccccc3)C(=O)C2)c1 1848084714 OOOORRXWNXTIIO-GOTSBHOMSA-N 475.549 2.126 10 20 JECD COc1ccc(N2CCN(C(=O)CN3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)CC2)cc1 110192702 MSHBSCPMPNUDAE-UHFFFAOYSA-N 461.566 2.283 10 20 JECD CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 916565865 MAGSIUAPNIFLET-JOCHJYFZSA-N 473.595 2.441 10 20 JECD COCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 918141403 WJZLDFFPKQDCHY-CALCHBBNSA-N 479.574 2.294 10 20 JECD COc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1N1CCCC1=O 918309076 UZSOMTVMKXFLBM-UHFFFAOYSA-N 466.538 2.256 10 20 JECD O=C(COC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)NCc1ccc(N2CCOCC2)c(F)c1 919085029 IDIKBXWBGKUEFI-QFIPXVFZSA-N 497.567 2.303 10 20 JECD CN(C)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1 1780644543 KCMBIHULSRTMAW-PMDNVAFQSA-N 467.522 2.026 10 20 JECD CN(C)c1ncc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)o1 1781121370 RIQDSSFJLDCHSW-VGOFRKELSA-N 478.933 2.247 10 20 JECD Cn1ncc2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)ccc21 1782005406 DHXKSYNMIKQAQD-HSZRJFAPSA-N 470.913 2.395 10 20 JECD CCN(CC)C[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1782695998 UUEOGQHFMLZLAZ-OYHNWAKOSA-N 453.967 2.173 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1cccnc1-c1ccccc1)CCO2 1785540003 JZVQGELRXLBCQQ-XMMPIXPASA-N 496.614 2.052 10 20 JECD CC(C)(C)c1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787291056 BXLLNWZJUBZPJR-WBAXXEDZSA-N 454.527 2.092 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)cc3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243231 XHUXMGWWPNNJLL-ROOHIHILSA-N 476.913 2.129 10 20 JECD O=C(CCc1cccc(O)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1791400753 BEQFZLJDFBPWOZ-UPWGDRSZSA-N 482.533 2.135 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796930787 BDFQQZRCDACCOZ-WQZMEWCLSA-N 495.580 2.427 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccc2occc2c1 1797040367 XVOBPOYKFNSXTL-JZXYNQJISA-N 464.474 2.466 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1797820914 OVNIJHQESQNZEI-LLLHUVSDSA-N 460.531 2.002 10 20 JECD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)ccc1C 1798973376 LBJKCQNEQKODFR-HCSKGQDESA-N 468.506 2.037 10 20 JECD CCc1ncccc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1804991423 SPWIXEZGECYAIW-IERDGZPVSA-N 483.619 2.219 10 20 JECD Cn1cnc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c1C(F)(F)F 1807993023 FZKONBMLRNLEJK-SCLBCKFNSA-N 490.442 2.274 10 20 JECD Cn1cc2cc(C(=O)NC[C@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)ccc2n1 1812096847 BEJDSWWTZJODJC-HXOBKFHXSA-N 472.505 2.408 10 20 JECD COc1ccc(COCC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1813166957 NGOZQYRYKDEUSL-KBMIEXCESA-N 492.532 2.433 10 20 JECD C[C@H](Cn1ccnc1)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1813411663 MEZXECZANBOFJU-FZOAFFARSA-N 499.575 2.413 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720295 JDQCSJQVFUMEHU-JQWIXIFHSA-N 477.543 2.088 10 20 JECD CCCC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1820111132 DABQXFOUCWCGPL-CABCVRRESA-N 496.593 2.153 10 20 JECD COC(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1 1821295571 ZSMAIFCCAFOTLT-ZDUSSCGKSA-N 451.867 2.136 10 20 JECD CCOC(=O)/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823475508 UCQCCQAWSJUHGB-KEULJIBXSA-N 470.482 2.351 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(O)cc2F)[nH]n1 1823499485 IPFNZVXQNYGKJR-HNNXBMFYSA-N 477.543 2.421 10 20 JECD Cc1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)no1 1832134789 FHXKRIBPNHKBNI-QGZVFWFLSA-N 464.613 2.006 10 20 JECD O=C(CCC(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835325518 SEAULMNXTKYVTD-SFHVURJKSA-N 466.840 2.164 10 20 JECD COc1cc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)ccn1 1835933459 WFULULRWNXPJBL-HWKANZROSA-N 496.564 2.106 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433194 OZOPAORGHQGBOX-UPCLLVRISA-N 489.956 2.095 10 20 JECD O=C(COC(=O)CNS(=O)(=O)c1cccc(F)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 11306272 BFGVAKPXEGMVAU-UHFFFAOYSA-N 496.472 2.061 10 20 JECD COc1ccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1Br 726976860 SDWBPQLQBJQQHY-UHFFFAOYSA-N 489.413 2.171 10 20 JECD O=C(NCCCCN1CCN(c2ncccn2)CC1)NCc1ccc(N2CCC(CO)CC2)cc1 729232738 KOYJSQKEYLKVBK-UHFFFAOYSA-N 481.645 2.087 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1OC 917759302 MMSLEPHVGMFPGK-UHFFFAOYSA-N 453.542 2.384 10 20 JECD CN(Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1)C(=O)C(F)(F)F 918283412 IIAUYTBBYRFBEA-UHFFFAOYSA-N 496.461 2.438 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(S(C)(=O)=O)c3)cc2F)C[C@@H](C)O1 918289666 ZPFCAEWTXLKCIO-HUUCEWRRSA-N 463.531 2.098 10 20 JECD Cc1sc(=O)n(CC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1C 919821651 PNCBWMYQUSZGQV-UHFFFAOYSA-N 456.547 2.099 10 20 JECD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1=O 919971161 IDKVHMVLGPCAPS-DEOSSOPVSA-N 472.492 2.009 10 20 JECD CC(C)OCc1cccc(CNC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 920637461 GXPXESPQVINDQO-UHFFFAOYSA-N 450.513 2.162 10 20 JECD C[C@H](NC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)c1ccc(N2CCOCC2)cc1 920868746 LDWSRNIXABUKFG-NRFANRHFSA-N 457.619 2.314 10 20 JECD CN(C)c1ccc(CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 921247467 FMHXSNRQWSOLED-UHFFFAOYSA-N 461.544 2.313 10 20 JECD Cc1[nH]ccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127924 RJDJOWIWUFCTNN-PXDATVDWSA-N 463.538 2.244 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3c(F)cncc3F)C2)C1 1779731080 IRIUXJYJSXIXAC-HXUWFJFHSA-N 453.829 2.182 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2C)CCO3)cc1 1781754054 IHQAEMSSRRTRHJ-BKMJKUGQSA-N 464.566 2.158 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(c4ccccc4)CC3)[C@H]2C1 1783568849 JEYJNIVYECLUNN-APTRMMRNSA-N 486.572 2.491 10 20 JECD O=C(CCc1ccc(F)c(F)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1792742630 DAHABBBZPZBGIH-LWDWJGHZSA-N 496.514 2.280 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c3ccccc3n3ccsc13)C2)c1cc(O)nc(O)c1 1796139645 LKIKBVXTNFGEEG-USGNIVHTSA-N 478.530 2.477 10 20 JECD Cc1cscc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796479571 JEIRBYIVZNTRGC-VPTLXERWSA-N 452.536 2.053 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cc(O)ccc2n1 1797382857 YAAQEDKZRRLSMB-QDMKHBRRSA-N 470.576 2.053 10 20 JECD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2 1800169835 JKCNHWRTAPJETN-JYYAWHABSA-N 497.976 2.279 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)C(=O)c1ccco1 1804324040 VJJVVMQYUWIITO-MBSDFSHPSA-N 485.500 2.356 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cnc1C 1804809211 XNWPMGDFOUWQCZ-UWJYYQICSA-N 483.619 2.273 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccccc2-n2nccn2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1808000756 QKVNHZJDWOAQQP-SBUREZEXSA-N 485.504 2.102 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccc(CO)o2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469558 PHGNDVQSEVDYBN-UUOWRZLLSA-N 487.516 2.279 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cnc2ccccn12 1809217103 JNTXCLMSONVFSW-OPAMFIHVSA-N 458.478 2.169 10 20 JECD N=C(N)SCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811803907 OSOFCIGBHQGEAU-SJCJKPOMSA-N 463.947 2.092 10 20 JECD Cn1cc(CCC(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2c2cccnc2)cn1 1814162995 UMKHFAYPDGCZKJ-MMXNXPDASA-N 491.548 2.284 10 20 JECD CC[S@](=O)CCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1814164109 QYDHOYACYSLFRJ-NRHQIWBESA-N 487.578 2.076 10 20 JECD Cc1ccn2ncc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cc(O)nc(O)c5)sc4C3)c2c1 1816726520 ZQRJVHUEZZFSMI-CYBMUJFWSA-N 464.507 2.445 10 20 JECD CCCC(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361908 LDHMQOHECZTISJ-GJZGRUSLSA-N 496.593 2.153 10 20 JECD C[C@H]1Oc2ccc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cc(O)nc(O)c3)CC4)cc2NC1=O 1821398723 ZAPJDBAELIALCR-ZWNOBZJWSA-N 495.517 2.208 10 20 JECD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1)n1ccnn1 1823475917 JZZCOFUURFEMJI-HDZMBNNRSA-N 467.486 2.085 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncccn2)[nH]n1 1823476672 LONYMSRJMQAEGW-VFADXPBXSA-N 450.455 2.336 10 20 JECD Cc1ccnc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)c1 1823498108 MURYJGSJASKLPA-OAHLLOKOSA-N 458.569 2.279 10 20 JECD Cc1nccn1[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823501531 SZLLWCBRZCOMAK-WFASDCNBSA-N 475.600 2.028 10 20 JECD O=C(Cc1ccc2c(c1)CCO2)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1825532601 BWIMBCSZWVTVCF-OAHLLOKOSA-N 466.519 2.353 10 20 JECD O=C(CCc1ccoc1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1827114062 JWHIRQHRUNJOJC-LBPRGKRZSA-N 464.594 2.141 10 20 JECD COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)nc1 1827963831 OZWWMHVSNBGZQW-SFHVURJKSA-N 476.624 2.184 10 20 JECD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1)n1ccnc1 1828195508 OZKWLNFDXQFRTO-PMRAARRBSA-N 469.523 2.343 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1sccc1F)CC2 1828240172 OSBYDFWYLIMSHV-QMMMGPOBSA-N 470.598 2.430 10 20 JECD Cn1cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)cn1 1832882616 KPFNJVVNXMXICE-CPSHHHPTSA-N 468.554 2.413 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1cncs1 1834293982 BQOXDXFXPGGRLG-UHFFFAOYSA-N 480.594 2.121 10 20 JECD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)cc1C 1838943137 KVTZEFPNERRVQL-HHHXNRCGSA-N 490.560 2.166 10 20 JECD CC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1842653593 CRKXSWPHLRJMIW-HXUWFJFHSA-N 472.586 2.277 10 20 JECD CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250950 HBNHYHHEXWUTHL-MRXNPFEDSA-N 460.531 2.003 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)C1(F)CC1)C2 1843331365 QIQJBHZJODGODL-GOSISDBHSA-N 460.550 2.410 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 19134720 SETNWWDGKTXHEE-UHFFFAOYSA-N 498.605 2.115 10 20 JECD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cc2)CC1 744906116 CDZPECQNXZXJED-UHFFFAOYSA-N 463.582 2.319 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2F)C[C@@H](C)O1 917714979 XTMMZHNYIIOTHZ-HDICACEKSA-N 491.585 2.390 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(-n4nccn4)cc3)cc2F)C[C@@H](C)O1 918287345 PZZABIRNIXTIIG-IYBDPMFKSA-N 452.490 2.275 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)c1 919814196 ITGFIOAIHKLJOO-UHFFFAOYSA-N 491.595 2.266 10 20 JECD COc1cccc(C[C@H](C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n2nnnc2C)c1 920882071 MAWFQRASSIBERL-GAJHUEQPSA-N 450.543 2.488 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@H]1C1CC1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126525 AZBGWSNBLKRAOR-RRTYAWIHSA-N 464.566 2.339 10 20 JECD CC(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C2)C1 1779002418 POOHWVLLWIRCBB-BVZFJXPGSA-N 491.585 2.020 10 20 JECD CC(=O)c1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)n[nH]1 1781121479 YEVPTOFSDHHMQJ-XMSQKQJNSA-N 476.917 2.118 10 20 JECD CCOc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)nn1 1781122078 KGFMHPRBTWMGCS-WZONZLPQSA-N 490.944 2.381 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)cc1 1781753957 HRZULZRRQMDLAU-AREMUKBSSA-N 491.548 2.112 10 20 JECD C[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1784212948 OTYMJESPGXHMEL-DCFHFQCYSA-N 474.561 2.488 10 20 JECD Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785509114 NOVMSNBWGWKRIB-CFSVISAESA-N 468.506 2.034 10 20 JECD COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)ccc1C 1785510168 QBEUPMUDYPDPNQ-UVXPNCNTSA-N 468.506 2.277 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)[C@@H]1CCc2ccccc2O1 1791228955 IDLQMRXIGINUFR-QKUKWNSFSA-N 494.544 2.190 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@@H]1CCCSC1 1792199543 VRRULKLTJJESEV-HRJSJKBJSA-N 454.976 2.488 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccn2c(O)nnc12)c1cc(O)c(O)c(Cl)c1 1796726398 XZVQPDMTRDXXLC-CLLJXQQHSA-N 457.874 2.065 10 20 JECD Cc1nc[nH]c1CSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804285703 IKMAIHPHXVPODM-ZURAMSNBSA-N 472.567 2.420 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CNC(=O)Cn3cnnn3)[C@@H]2c2cccnc2)cc1 1807613190 KEEIJOLBNOIALU-RDGATRHJSA-N 484.564 2.495 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc[nH]c3nccc2-3)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993011 FYDKOLUTYDLUFT-VFNWGFHPSA-N 458.478 2.349 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811811056 ZBFVYSKWKDWBGC-JLTOFOAXSA-N 455.902 2.432 10 20 JECD O=C(Cc1ccc(O)cn1)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813498679 OIMIRUMLGVOQIJ-PFICCCKGSA-N 490.516 2.261 10 20 JECD COc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] 1813951953 NMVDONFWFADISL-OPAMFIHVSA-N 493.476 2.438 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)Cc2ccc(F)cc2)[C@H]1c1cccnc1 1814185784 GDPXUDNKOSLNAR-VGSWGCGISA-N 486.594 2.330 10 20 JECD COC(=O)[C@@H]1CC[C@@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)C1 1814860492 ACMOSVYIAMNMBW-XJKCOSOUSA-N 457.487 2.111 10 20 JECD CCOC(=O)O[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361851 IWNRVALJUAUQJG-KGLIPLIRSA-N 499.549 2.410 10 20 JECD O=C(CCN1CCOC1=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1818850428 STZFKSCALKSGTD-YERXGYGTSA-N 485.497 2.074 10 20 JECD CCOC(=O)N1CCC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)[nH]n2)CC1 1823382644 KZVGTHADALDVDB-KRWDZBQOSA-N 486.529 2.390 10 20 JECD Cn1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3O)n[nH]2)n1 1823477021 XKGVXWRNFDGRMP-IQIBNGDESA-N 452.471 2.279 10 20 JECD O=C(c1ccc2nncn2c1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428121 IWMKFEYDEGEEQM-GOSISDBHSA-N 450.499 2.083 10 20 JECD COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)nn1C 1829847545 LPDBXFAEKOQQHI-XSBJJCPUSA-N 484.553 2.492 10 20 JECD Cc1nnc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)o1 1832877327 GENUCILBUGUBOC-JHTBKMLMSA-N 470.526 2.370 10 20 JECD Cc1cccc2c(C(=O)N3CCC(N4CCC(NC(=O)c5cc(O)nc(O)c5)CC4)CC3)n[nH]c12 1834987606 YSSQXINTPYXZFD-UHFFFAOYSA-N 478.553 2.177 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)Cc3cscn3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835132733 IGXOBYGBSWHEFF-UHFFFAOYSA-N 494.621 2.050 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3cc4sccc4[nH]3)C2)C1 1840880694 FXASKDXATHAEIT-JWZSXRADSA-N 499.545 2.130 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(c2ccccc2)=NO1 1847766441 FRROVBKKCWKINZ-IAKIHLPXSA-N 463.490 2.212 10 20 JECD O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)c1 727249862 FQQJMGDFKJUXML-UHFFFAOYSA-N 467.536 2.479 10 20 JECD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 745298729 OWRVREMDEOHFCP-UHFFFAOYSA-N 466.538 2.023 10 20 JECD COc1cccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)c1OC 746946619 PUVFGLDFVLBOHQ-UHFFFAOYSA-N 486.544 2.347 10 20 JECD COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc(CCC(=O)O)cc3)CC2)cc1 748965233 BEFYAUTYGSRXAW-UHFFFAOYSA-N 461.584 2.203 10 20 JECD COCCCn1cnnc1SCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 786606923 VDZBBBUADXLROI-UHFFFAOYSA-N 463.585 2.345 10 20 JECD CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(N4CCCS4(=O)=O)cc3Cl)cc2)CC1 857494574 QXIBRORPIQQJFI-UHFFFAOYSA-N 491.013 2.478 10 20 JECD COC(=O)COc1ccc(S(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 917917929 KHIMRMPWOJFUAR-HZPDHXFCSA-N 466.531 2.470 10 20 JECD CCCS(=O)(=O)N1CCC(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 918205137 HTALWZWNWWQFLL-CALCHBBNSA-N 470.611 2.443 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cc(S(C)(=O)=O)ccc3F)cc2F)C[C@@H](C)O1 918288876 WRESDZNOUZMLOF-ZIAGYGMSSA-N 481.521 2.237 10 20 JECD CC(C)CN1C(=O)/C(=C\Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)C(=O)NC1=S 920979034 RAYLBYDTBOTJIP-ATVHPVEESA-N 477.612 2.133 10 20 JECD CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC=C1C(=O)N(CC)C(=S)N(CC)C1=O 920980151 ZIAZVMAEPAGBBC-UHFFFAOYSA-N 482.628 2.407 10 20 JECD C/C=C/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127161 CNQURSDIYLYRKM-WYJSHWGJSA-N 450.539 2.426 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cccc2cnccc12 1779077910 HEQKTBFTJVSGTR-CJFMBICVSA-N 462.506 2.482 10 20 JECD O=C(c1ccn2cncc2c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782005362 AYGJIAXLIIPSCD-JOCHJYFZSA-N 456.886 2.156 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)C1 1783865853 SEKJGDXFPRSAEB-JIQFQSSQSA-N 480.945 2.174 10 20 JECD Cc1ccncc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1785318184 ZAHDAYOVHIXPPP-SSPYTLHUSA-N 489.576 2.095 10 20 JECD Cc1ccc([C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc1 1796481224 VXAJRTSGEHXAGX-MASGSYHESA-N 474.561 2.481 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1802001397 OPHCKFQGILSHDZ-YVSFHVDLSA-N 460.531 2.144 10 20 JECD Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)c(F)c1F 1803647242 ZNYADWPERFCIGQ-CLLJXQQHSA-N 453.536 2.385 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(C(F)F)no1 1807722354 ZJUOSWWZGAIMHY-XIKOKIGWSA-N 459.409 2.447 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cc(C(F)F)no1 1807727420 QRJKPUBGRNEHGU-PXAZEXFGSA-N 495.533 2.187 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)ncc1[N+](=O)[O-] 1807992955 FJBZGQFQTAGPDD-YCRPNKLZSA-N 478.465 2.133 10 20 JECD Cc1cccc(C)c1NC(=O)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807998650 DIMIZPATXBYYFN-FDDCHVKYSA-N 489.532 2.463 10 20 JECD Cn1cc(CCC(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)cn1 1810023222 OFBDNUZDBIIQLL-UHFFFAOYSA-N 476.581 2.377 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2c[nH]c3cnccc23)[C@@H]1c1cccnc1 1814189598 TVHFSBNCJKLGIR-QVKFZJNVSA-N 494.602 2.138 10 20 JECD CN(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1814189945 LJKNDATWOGJRBC-PGRDOPGGSA-N 497.646 2.328 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnn(-c3cccnc3)c1)CC2)c1cc(O)nc(O)c1 1816721958 SAMBVJFOKSJNRY-AWEZNQCLSA-N 477.506 2.070 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)c3cc4ncccn4n3)sc2C1 1819015693 BIRZEMAJCCYWEQ-LPZVBRGNSA-N 492.517 2.242 10 20 JECD CC(C)(C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2)c1ccccn1 1826531162 HKEJGNIFTKONGK-GFCCVEGCSA-N 489.648 2.288 10 20 JECD O=C(c1[nH]nc2ccncc12)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827425894 CLYZNAAYCKNBFN-SFHVURJKSA-N 450.499 2.311 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnn2C)CCO3)cc1 1834239034 ASURQUKZMZBWQB-SANMLTNESA-N 477.565 2.211 10 20 JECD O=C(Cc1ccc(F)cc1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1834504547 KDLHUKHFALMDFR-UHFFFAOYSA-N 456.518 2.060 10 20 JECD CC(C)c1nc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)co1 1837258310 CRXHNRHHIFPAGS-UHFFFAOYSA-N 494.639 2.271 10 20 JECD CC(C)(C)NCC(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1837858003 NALNUKTZEZBSSR-FNORWQNLSA-N 475.586 2.203 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249486 OZDZFRFDUISVHR-KRWDZBQOSA-N 474.558 2.490 10 20 JECD O=C(CS[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441493 BOPWNGJBRPNGNO-OAQYLSRUSA-N 456.568 2.243 10 20 JECD Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@H](Cc3ccc(O)c(O)c3)NC(=O)OC(C)(C)C)C2)n[nH]1 1844251678 QJEJMPPFYLCIHE-KRWDZBQOSA-N 499.568 2.082 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)nc12 726675990 YFIBURJCVCABOE-SFHVURJKSA-N 497.464 2.176 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 728138112 AIMPVRUZLNGGCA-UHFFFAOYSA-N 458.559 2.470 10 20 JECD COc1ccc(O)c([C@H](C)NC(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c1 729064497 SJIQJYIOCVRWPL-KSFYIVLOSA-N 467.522 2.385 10 20 JECD COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)Cc4ccccc4C)CC3)CC2)cc1 749933027 LHGLPNWYQMFERB-UHFFFAOYSA-N 479.625 2.222 10 20 JECD COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 789353604 ZTAPKNWMUMWSLW-LLVKDONJSA-N 458.854 2.133 10 20 JECD CN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2C1=O 825177717 NWKIMFNXXRUZNS-UHFFFAOYSA-N 468.421 2.483 10 20 JECD CCOc1ccc(-c2nnc(SCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)n2N)cc1 917191172 VNGQZSFLIRFVBE-UHFFFAOYSA-N 486.573 2.442 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(=O)Nc1ccccc1Cn1cncn1 918278512 WQFZNGTYEPWIIJ-UHFFFAOYSA-N 488.470 2.437 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)cc2F)C[C@@H](C)O1 918288978 YIBZXNQMDZJEFJ-RBSFLKMASA-N 470.501 2.414 10 20 JECD O=C(Cn1c(S)nnc1-c1ccc(Cl)cc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918336043 SQAHUCIMTVJFCR-UHFFFAOYSA-N 492.026 2.438 10 20 JECD CC(C)[C@@H](C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)N1C(=O)c2ccccc2C1=O 918790442 PZBYVEDUSGTDCR-QHCPKHFHSA-N 497.523 2.143 10 20 JECD C[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918890234 LGLLSDJBSCJKRO-OAGGEKHMSA-N 451.539 2.150 10 20 JECD COc1cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1OCC(=O)N1CCOCC1 920182281 MRGOFPGCGBGJDW-UHFFFAOYSA-N 487.572 2.323 10 20 JECD COc1ccc([C@H]2CCCN2C(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)c(OC)c1 920637816 KLEINRSOJZIAJE-GOSISDBHSA-N 478.523 2.301 10 20 JECD C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1)c1ccc(N2CCOCC2)cc1 920924439 AREISRLVAINUFH-FQEVSTJZSA-N 465.598 2.087 10 20 JECD Cc1ccc(S/C=C/C(=O)N2CC[C@@]3(C2)CN(C(=O)CN2C(=O)CSC2=S)CCO3)cc1 1778965493 RYSRNOCTTNCFPV-NOUTYMABSA-N 491.660 2.291 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)cc1 1781754967 CZCWXOMOFNIPHF-DEOSSOPVSA-N 480.594 2.448 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3[C@@H]1O)CCO2 1782004527 ZDPGYUCMCRZENV-QLWBXOBMSA-N 486.952 2.491 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c3cnccc13)CCO2 1782006943 BJIJWFVCAVAORH-QFIPXVFZSA-N 456.886 2.385 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)[C@@]3(F)CCCC=C3F)C2)C1 1785695854 NVJAHIQMUUXNBN-DNQXCXABSA-N 472.492 2.355 10 20 JECD CC(=O)c1ccc(OCCCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)cc1 1787291644 AJIADEBGHGWRED-NYVOZVTQSA-N 497.548 2.148 10 20 JECD CC(C)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1)c1ccccn1 1792221166 IZVBXRUMZZTYIG-RLTIEFLZSA-N 481.549 2.169 10 20 JECD C/C=C/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1796307293 CKUZDSZRYUQIFJ-BZULIHOESA-N 498.624 2.427 10 20 JECD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc1F 1796479129 HHOJHALLSFCUON-ZJZZYZHZSA-N 492.551 2.449 10 20 JECD CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796600791 DQRAZPBRWAANNA-JWYNJWGYSA-N 474.558 2.438 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc([N+](=O)[O-])cc1F 1799491999 ZQNXATHAIXBMMV-KSPBDQMDSA-N 479.848 2.316 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(=O)n2O)C3)cc1 1799620037 LLLOWRRDMXHWIG-IRJINJETSA-N 476.533 2.010 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2ccc(F)cn2n1)c1cc(O)c(O)c(Cl)c1 1801189869 ADXFVSCKHIICBC-BTTYYORXSA-N 459.865 2.499 10 20 JECD COc1ccc(OCC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1802816213 ZHBLOVSWXZNLMK-BXKMTCNYSA-N 478.505 2.295 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1c(Cl)ccc2c1OCO2 1804333040 ASBMSQDHWWESOB-ZSBIGDGJSA-N 481.983 2.181 10 20 JECD CSc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c1O 1804335829 KMZPXYAQMKIWDW-CLLJXQQHSA-N 465.622 2.226 10 20 JECD COC(=O)c1ccc(OCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1 1804600793 RHNFDIZWBVFBNO-IYKZFTADSA-N 496.516 2.320 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1808002609 WVYOVVWIHVRZMJ-IQMFZBJNSA-N 495.467 2.497 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CN2CCCCC2)[C@H]1c1cccnc1 1814163036 VUNNMAMINRWSNE-QMNIYLKUSA-N 480.565 2.404 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](O)CC2)[C@@H]1c1cccnc1 1814167232 ZBIQBEUMHSKWDO-QQSWDXNGSA-N 481.549 2.469 10 20 JECD COc1nccnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1816160823 MZUUCQGDWLPGSY-VFADXPBXSA-N 480.481 2.344 10 20 JECD CC(=O)c1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)n[nH]1 1816292372 JWKXCGRQWNREGD-FQEVSTJZSA-N 488.508 2.434 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cncc(O)c1)CC2)C1=NN(c2ccccc2)C(=O)C1 1817367273 WDCIDQJVOFFXET-AWEZNQCLSA-N 476.518 2.262 10 20 JECD CCOc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)nn1 1817847628 PILKYXJITFSISD-OAHLLOKOSA-N 453.459 2.024 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146879 KBSCDIXCSQWSQF-INIZCTEOSA-N 491.468 2.140 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1ccncn1 1818181211 YVZHJYKEWLDULF-BIENSFFJSA-N 450.455 2.336 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cc(-n2ccnc2)ccn1 1820341179 AJQQQBOKCITOOP-SFHVURJKSA-N 474.481 2.416 10 20 JECD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)N1CCN(C)CC1 1820789919 QNPLYQTYSVKXCL-KDOFPFPSSA-N 490.992 2.416 10 20 JECD CC[S@](=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823475492 SKKGDTMWIJWKLC-ZUHBKIFISA-N 476.555 2.391 10 20 JECD C/C(=C/C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1)C(=O)O 1823713297 JQSPNLACXSYZRF-PENHIPQLSA-N 451.888 2.464 10 20 JECD COc1nn(C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1825733923 LXYNJKJWWAWJIR-QFIPXVFZSA-N 492.580 2.455 10 20 JECD Cc1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1825846487 YRXBTYBXEFWESG-SFHVURJKSA-N 460.625 2.484 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)COCc1ccccc1)CC2 1828242210 DVQABXFXENAOIU-CQSZACIVSA-N 490.632 2.132 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1cccc(O)c1)CC2 1828250573 VMLMAYPRNOOUMD-ZDUSSCGKSA-N 490.632 2.254 10 20 JECD O=C(Cc1cnc2ccccn12)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896390 GKTXWYSPLYXWQR-IBGZPJMESA-N 499.662 2.357 10 20 JECD CC[C@H](C)[C@@H](N)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331336 LVDBOMMQHCBENH-IOMROCGXSA-N 487.645 2.281 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CC2(CCCN2C(=O)[C@@]2(C)CCCN2)C1 1845119312 AOGAYYPDAIEKTL-CJFMBICVSA-N 485.629 2.050 10 20 JECD CCOCCC(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1846680616 JYBGERVMEBCVMY-HXUWFJFHSA-N 474.602 2.335 10 20 JECD COCCN(C(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 23237489 BZPVTCZTRCPKPP-WOJBJXKFSA-N 493.651 2.483 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)C[C@@H](NC(C)=O)c3c(F)cccc3F)nc12 727573961 MHBYOJBCNKZDTP-MRXNPFEDSA-N 462.409 2.201 10 20 JECD COC(=O)CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 731051080 JUGYNFYSPFNWNY-UHFFFAOYSA-N 457.486 2.009 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCN(Cc4cn5ccccc5n4)CC3)CC2)cc1 916199065 WGFNYHLRLDQRSI-UHFFFAOYSA-N 491.640 2.382 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3ccc(F)c(S(=O)(=O)N(C)C)c3)CC2)cc1 916374276 PJNNBKQJZCDCAG-UHFFFAOYSA-N 478.590 2.027 10 20 JECD O=C(CN1C(=O)COc2cc(Br)ccc21)NCc1ccc(N2CCOCC2)c(F)c1 917708134 GWRPPMFUAOBFMP-UHFFFAOYSA-N 478.318 2.467 10 20 JECD CCCC(=O)N1CCC[C@@H]1C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 917991799 UTGSMHPDQDIBSP-CBGDNZLLSA-N 463.550 2.390 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CCC(=O)N3CCc4sccc4C3)nc12 919602482 ZIQYMFDCEGFXBO-UHFFFAOYSA-N 458.496 2.081 10 20 JECD CC(C)Oc1ncccc1NC(=O)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919799409 BDIPFDHOJMVTIF-UHFFFAOYSA-N 493.543 2.379 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1cccc2ncccc12 1778452280 OYIGLKKUAFWLEZ-CJFMBICVSA-N 462.506 2.482 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1782002357 HIUKHQPEMPQHHH-HXUWFJFHSA-N 468.293 2.263 10 20 JECD CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)CC1 1782008298 YMUNWZALJRATFM-HSZRJFAPSA-N 495.960 2.063 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCN(C(=O)C3CC4(CCC4)C3)C2)C1 1784844424 ZIHVYJRDFGUBQS-VWLOTQADSA-N 450.539 2.190 10 20 JECD CCn1nc(C(C)C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792218336 SGEPELLUBLRZDE-WWCCZHGOSA-N 498.580 2.450 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1CC1 1795340898 JBYIQIBSARIWCE-MHXAIHSWSA-N 486.613 2.094 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nnsc1C1CC1 1797119541 XNSCSNSSXILRFN-RRJKNOHSSA-N 456.524 2.498 10 20 JECD CCc1nn(C)c(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1Cl 1805052133 ZPDWUEWSUVEWNO-JLTOFOAXSA-N 484.944 2.471 10 20 JECD O=C(Cc1ccc(O)cn1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813498677 OIMIRUMLGVOQIJ-DYUGSACZSA-N 490.516 2.261 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814192124 RDUQEQZIXYGIPX-NRJQMVOHSA-N 497.646 2.222 10 20 JECD CCOC(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)CC1 1817848611 SFQOYSRNUIGMQB-QGZVFWFLSA-N 486.529 2.390 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3ccc4[nH]ccc4n3)sc2C1)c1cc(O)nc(O)c1 1819039615 QMZSMVZDRIJUKV-NSHDSACASA-N 450.480 2.365 10 20 JECD Cn1cc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CN4C(=O)CSC4=S)n[nH]3)ccc2n1 1823499628 QCEZOXWHRFNNBM-QGZVFWFLSA-N 497.606 2.463 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2O)CC1 1825668149 MQVXHQFLOVLGGA-KRWDZBQOSA-N 461.609 2.486 10 20 JECD Cc1ccoc1C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828244776 QGHUFCPVLNMQEX-JTQLQIEISA-N 450.567 2.131 10 20 JECD O=C(c1ccccc1O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896679 MXRLXHLZUVXSTH-KRWDZBQOSA-N 461.609 2.486 10 20 JECD O=C(COC1CCCCC1)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833217258 NGHZGWFALKHWIM-UHFFFAOYSA-N 460.575 2.027 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nccn2C)CCO3)cc1 1834399229 KUUIDDVMGDIFNI-SANMLTNESA-N 477.565 2.211 10 20 JECD Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)o1 1836956992 RVUAJULKKARAGG-UHFFFAOYSA-N 465.597 2.061 10 20 JECD CN1CCCC[C@H]1C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1841366248 XZRQTRYVRKATDX-YADHBBJMSA-N 499.656 2.392 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3c(Br)ccc(F)c3N)nc12 726010570 GAQOVFWOJDSQLQ-UHFFFAOYSA-N 453.224 2.452 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)cc2F)C[C@@H](C)O1 726235334 ZOAVBSHLUHSSNK-WHEFHEQHSA-N 483.544 2.493 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cc2F)C[C@@H](C)O1 726661401 OQADJSQWBNXFJA-GASCZTMLSA-N 477.493 2.139 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)OCCn1cncn1 727049447 LFPNBZDRIKDQCW-NTUHNPAUSA-N 453.343 2.485 10 20 JECD Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1C(=O)NC(C)C 731285469 GWYGGGMAFYDHCG-UHFFFAOYSA-N 470.545 2.488 10 20 JECD CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1 906468986 WQTJFONVNJYJOV-UHFFFAOYSA-N 452.295 2.464 10 20 JECD COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(Cc3ccc(N(C)C)cc3)C3CC3)CC2)cc1 917074156 RKGKEEDIJSJQST-UHFFFAOYSA-N 486.638 2.259 10 20 JECD COc1ccc(N2C[C@H](C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2=O)c(OC)c1 917707495 JZOMIIYUZQMLIQ-QGZVFWFLSA-N 457.502 2.349 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCN(C(=O)CCc2ccccc2)CC1 918338188 XJNOZUORHSCXLJ-UHFFFAOYSA-N 483.634 2.409 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCc2nnnn2-c2ccc(C(F)(F)F)cc2)c1 920637857 MTKLIIOBTCYSRX-UHFFFAOYSA-N 457.390 2.115 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc3c(c2)nc(O)n3C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 920698449 OCCMGYVTUHQSCE-UHFFFAOYSA-N 482.518 2.374 10 20 JECD C[C@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 920866207 XTKCNECTZQTFSU-SFHVURJKSA-N 459.568 2.035 10 20 JECD O=C(Cn1cnc2ccccc21)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008721 IOKVIUXUYYDNIM-QHCPKHFHSA-N 470.913 2.245 10 20 JECD Cc1ncc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)s1 1782009699 ZJDRPIQPUFLZCP-HXUWFJFHSA-N 451.932 2.202 10 20 JECD O=C(CCCc1cccnc1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1782653066 MTFTUZNEGANMMW-NTKDMRAZSA-N 454.527 2.038 10 20 JECD Cc1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)cs1 1783219975 LVDVSDQMIMQBJG-RNJIHJBZSA-N 473.551 2.409 10 20 JECD COc1ccnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)c1 1783222184 ZCPXDEZTGHQSOU-PLOYQGSLSA-N 483.521 2.048 10 20 JECD O=C(CCc1ccccc1F)N1CC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1784738456 OSQHFWHSXRDLRP-SANMLTNESA-N 478.524 2.381 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3C1)CCO2 1785510465 LMTHEPZCMOQPGJ-RPFOBCEVSA-N 478.545 2.452 10 20 JECD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1)c1ccccc1 1785536134 ZLIDOALZUICFCK-SIBVEZHUSA-N 460.534 2.413 10 20 JECD C[C@H](Cc1ccco1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787541452 PRVYIABMZBKAKN-GPFNJZLUSA-N 478.549 2.231 10 20 JECD O=C(C[C@@H]1OCCc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1793275554 WJXQOTHGMKZJFC-XDKAOURNSA-N 494.544 2.110 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1c(=O)oc2ccccc21 1794257055 SHRZBOGFQXECJW-GFPDGJBOSA-N 493.516 2.453 10 20 JECD Cc1cc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)cc1F 1796482694 PIHVZGGGXQPYKG-RSQQPWMTSA-N 482.487 2.269 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796600708 FJEGPSCNSZAOQL-LLLHUVSDSA-N 460.531 2.002 10 20 JECD CCOC(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)c1F 1796601376 ANDSKJIGZXXXNZ-QDMKHBRRSA-N 457.458 2.374 10 20 JECD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1796931211 UOKSOIVFQAJAFL-PCYWVCGRSA-N 480.565 2.397 10 20 JECD CC(C)(C)OC(=O)N1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1796934271 GVQBEUUPOQRZRA-FNLKRUPLSA-N 495.580 2.284 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(F)c(Br)cc1F 1799549321 XMLFHSXZZPRKFA-XGISUXEOSA-N 498.280 2.051 10 20 JECD O=C(COc1ccc(Cl)c(F)c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804334557 QEWJICVPIBCYFG-CLLJXQQHSA-N 485.990 2.356 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc3ncccc3[nH]2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999625 MQCOCKICEPPIAE-QRQCRPRQSA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCN2CCCC2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469819 QGCVJDXZRVBDFH-RLWLMLJZSA-N 488.592 2.366 10 20 JECD CCOCCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1813540817 VVJWDMNYNZOZET-AEVOMHCASA-N 455.511 2.344 10 20 JECD Cn1cccc1C(=O)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814166894 VARJEPZBCAXDSZ-SXVOPIBFSA-N 490.516 2.139 10 20 JECD CCc1ccnc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)c1 1814189364 OXQDJERQAOLBPX-LAUBAEHRSA-N 483.619 2.219 10 20 JECD CC[C@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1814473984 SFQUFVALLUHPLU-PXNSSMCTSA-N 479.541 2.109 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)[nH]n1)c1cc(O)nc(O)c1 1817847478 GFAMUGIGQXKRMY-CQSZACIVSA-N 468.426 2.449 10 20 JECD CSc1ncccc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1820986191 YHIGUXIYMSPXMY-JTQLQIEISA-N 493.661 2.346 10 20 JECD Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CC3)c(C)n1 1821090243 YXQFWVYIBVPORR-LBPRGKRZSA-N 475.621 2.241 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccc(CO)c(F)c1 1823326620 MJIDKMNUYDDUHE-MRXNPFEDSA-N 491.570 2.207 10 20 JECD COc1cnc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c(F)c1 1825587436 MGXXSCLSVNANMV-QGZVFWFLSA-N 494.614 2.323 10 20 JECD C[C@H](Cc1ccccn1)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828250391 RJIQNLZFLNEQDX-OCCSQVGLSA-N 489.648 2.189 10 20 JECD C[C@@H](Cn1cccn1)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833889302 VRFAYGZOKCGEOT-INIZCTEOSA-N 490.004 2.469 10 20 JECD Cc1cc(C)nc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1834986907 ITADIHDIBGGXSX-UHFFFAOYSA-N 453.543 2.004 10 20 JECD Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1835152682 JFCKISYOGBNOKM-DEOSSOPVSA-N 490.940 2.209 10 20 JECD O=C(COCc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431715 IJBFYQSYSQUUHM-DEOSSOPVSA-N 490.940 2.038 10 20 JECD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1 1839433238 ARMDCJFOHJAIRP-QHCPKHFHSA-N 476.913 2.144 10 20 JECD Cc1ccc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1840666279 MLIFEHSDBNBHCX-AQBQYSGMSA-N 482.533 2.204 10 20 JECD CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843248795 OLBJEEPQTNOFNX-IBGZPJMESA-N 482.537 2.405 10 20 JECD Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 18996036 SVYZDBKIXFALJT-UHFFFAOYSA-N 478.552 2.410 10 20 JECD COc1ccc(N2CCCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3OC)CC2)cc1 108429888 SAUBPSWNPYYKPC-UHFFFAOYSA-N 489.594 2.077 10 20 JECD CNS(=O)(=O)c1cc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)ccc1OC 728877075 JFJRMBUSSXNTBR-UHFFFAOYSA-N 482.562 2.348 10 20 JECD Cc1cc(C(=O)COC(=O)c2ccc(N3CCNC3=O)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 812911624 ZQEOQKMPBXFGDC-UHFFFAOYSA-N 496.545 2.311 10 20 JECD COc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1OCC(N)=O 916076318 ILNKYNSLQGAOSE-UHFFFAOYSA-N 475.413 2.495 10 20 JECD CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 917658264 VCMJLGLTFUKNBC-UHFFFAOYSA-N 481.640 2.373 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)cc2F)C[C@@H](C)O1 917712257 IGIXIDRIINVZHZ-SXGZJXTBSA-N 490.963 2.383 10 20 JECD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 917834029 GQKSKQXWSWMXNR-IBGZPJMESA-N 472.611 2.395 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(=O)Nc1cccc(N2CCNC2=O)c1 918277445 MZGALCGZQNFCEL-UHFFFAOYSA-N 491.470 2.327 10 20 JECD CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 918296830 NQQSHETWMUIXKZ-OAHLLOKOSA-N 450.488 2.081 10 20 JECD CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C 918810631 WYNBAZZIZQTFHE-UHFFFAOYSA-N 461.490 2.257 10 20 JECD O=S(=O)(c1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1)N1CCOCC1 919717718 OYYNBENDJKYPBA-UHFFFAOYSA-N 476.624 2.031 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccc(N4CCNC(=O)C4)c(Cl)c3)CC2)cc1 920255634 GKFBSBFAXDDZSY-CMDGGOBGSA-N 497.983 2.128 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)c3cccn(Cc4ccccc4)c3=O)CC2)cc1 920735470 MYHGENLNEYBZFY-UHFFFAOYSA-N 461.518 2.411 10 20 JECD C[C@H](NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(N2CCOCC2)cc1 920926401 NFUSRDOEZPPTNI-AWEZNQCLSA-N 465.959 2.396 10 20 JECD NC(=O)[C@H]1CC(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)=NN1c1ccccc1 934250242 GYPKILUKRNCBAS-JOCHJYFZSA-N 496.479 2.064 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1cccnc1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126302 QGUIXPZEXUNCJK-OSGQRPGQSA-N 487.560 2.402 10 20 JECD Cc1ccn2ncc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(O)c(O)c(Cl)c5)C4)C3)c2c1 1782001253 IHXAAGJKJNREBN-HSZRJFAPSA-N 470.913 2.465 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)C2 1783221963 VPTCFSHKBHGSMC-GDNZRDOGSA-N 472.563 2.206 10 20 JECD Cc1csc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c1 1783245328 SASZKGRMHLPREZ-VGOFRKELSA-N 495.692 2.363 10 20 JECD CSc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1O 1785508147 ZNFJMYYGMSEYMB-HLZSCNFSSA-N 486.546 2.388 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1cnccc1Cl 1788802784 BNFJIWMPEAKPSF-HAMHFSBISA-N 473.913 2.159 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1799908765 JULQCAKHIKETMR-GGPHIMKMSA-N 483.569 2.331 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cccc(Cl)c1Br 1801877705 AYPOLBIOPVQHSY-KSPBDQMDSA-N 496.745 2.426 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O)c1ccc(-n2cccn2)nc1 1804286019 KWTBOWKUISVSRJ-BAKRUHSUSA-N 475.505 2.349 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)nn1C(F)F 1807994516 HINDYVDFXYWVCY-IFXJQAMLSA-N 472.452 2.421 10 20 JECD CCOC(=O)N1CCC(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)CC1 1808001640 PKNUUSDNWZXQFE-AVRDEDQJSA-N 497.552 2.076 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1c1cccnc1 1814161479 HETZKFKHQROCEY-BIUKZJPMSA-N 466.538 2.013 10 20 JECD CCn1ccc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n1 1814162795 QACWGXBSDLZKKJ-LFXIQIKPSA-N 477.521 2.448 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)no1 1814185235 AJDOVKHHHYMMIZ-FOIQADDNSA-N 487.607 2.373 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1nnsc1C1CC1)CC2)c1cc(O)nc(O)c1 1816724752 GOZVUCYANQZFPE-JTQLQIEISA-N 458.525 2.218 10 20 JECD CCCC(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817361906 LDHMQOHECZTISJ-CABCVRRESA-N 496.593 2.153 10 20 JECD Cc1nccnc1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362274 UBDRETXJJYTWGD-CQSZACIVSA-N 475.534 2.260 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccnc(Cl)n1 1819749361 WDMXDLIVNUSHJI-GFCCVEGCSA-N 479.975 2.019 10 20 JECD Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)ccn1 1819758890 RXFBZCOFYGZXJB-HNNXBMFYSA-N 458.569 2.279 10 20 JECD COc1nccnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476370 AJXDMTLKUGLQJO-VFADXPBXSA-N 480.481 2.344 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2snnc2C2CC2)[nH]n1 1823498839 WOGMILMMHJUOCC-LBPRGKRZSA-N 491.624 2.305 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3ncccc23)[nH]n1 1823498866 XJFZWIZEBCOROH-OAHLLOKOSA-N 483.579 2.452 10 20 JECD CC(C)CNC(=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1827709384 ZAMGMUPJDXIWRS-QRBZPYHOSA-N 473.570 2.209 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)Cc1cccc(F)c1F)CC2 1828249453 HSACSXSWSXSQIY-LLVKDONJSA-N 496.586 2.436 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1)[C@@H](F)c1ccccc1 1833657660 WNTDBOBYGQDVAL-NRFANRHFSA-N 492.642 2.129 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc4ccoc4cn3)CC2)CC1)c1cc(O)nc(O)c1 1834987425 SXPQKSUMKIDYCX-UHFFFAOYSA-N 465.510 2.133 10 20 JECD COCC1(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)CC1 1836856107 QGHZEZPXCKHDJE-HWKANZROSA-N 474.554 2.242 10 20 JECD CC(C)(C)OC(=O)NCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838032166 BUTIWJBVBKNYAW-UHFFFAOYSA-N 492.573 2.020 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)cc1 1840538606 MGKOFRQHRICCAD-BKMJKUGQSA-N 467.566 2.201 10 20 JECD CC[C@H](C)[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843330675 LSTDNPIWLUBTSC-WMQCIHAUSA-N 488.629 2.315 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1cncnc1)C2 1843330927 UAEDWXUNFSGEKZ-HXUWFJFHSA-N 480.569 2.012 10 20 JECD CN(C)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1 15483710 QRGTTZJNZNSVCQ-UHFFFAOYSA-N 468.982 2.168 10 20 JECD CC(C)[C@@H](C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)N1CCCC1=O 726033626 HYPPXDZWTNJDAH-MFEFFIJZSA-N 463.550 2.246 10 20 JECD CN1CCN(S(=O)(=O)c2ccc(NNC(=S)Nc3ccc4c(c3)OCCCO4)cc2)CC1 727978409 KKQRUUZRHUCBHR-UHFFFAOYSA-N 477.612 2.098 10 20 JECD C[C@H](NC(=O)NCCCCN1CCN(c2ncccn2)CC1)c1ccc(N2CCOCC2)cc1 729226115 FMQMESNOAGZXEQ-NRFANRHFSA-N 467.618 2.276 10 20 JECD C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cc(F)ccc1N1CCN(C)CC1 857443559 GRYGIQHEZPPVSS-AWEZNQCLSA-N 450.536 2.146 10 20 JECD Cc1cc(C(=O)COC(=O)COCC2CC2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 915540917 BPFRCGDCIPGWAM-UHFFFAOYSA-N 490.578 2.268 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(OCC(=O)N(C)C)c3)CC2)cc1 916197196 XEVJSTSJKBGSPX-UHFFFAOYSA-N 469.586 2.496 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 918220363 CARRIRMCSRZNNK-UHFFFAOYSA-N 495.599 2.203 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(N4C(=O)CN(C)C4=O)c3)cc2F)C[C@@H](C)O1 918287987 SALLZQABALSRAJ-HZPDHXFCSA-N 497.527 2.093 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)cc2F)C[C@@H](C)O1 918288977 YIBZXNQMDZJEFJ-QLFBSQMISA-N 470.501 2.414 10 20 JECD Cc1ccc([C@](O)(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C(F)(F)F)o1 918340887 XGPWJYOAPPVNQQ-LJQANCHMSA-N 460.474 2.279 10 20 JECD COc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1N1CCCC1=O 918442281 DIAJICPIXWOIBE-UHFFFAOYSA-N 480.565 2.286 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)C(=O)c3c(C)nn(-c4ccccc4)c3C)nc12 918912057 HFYQUSRIPYNFGZ-UHFFFAOYSA-N 463.450 2.340 10 20 JECD COc1ccc(-n2nnc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2C)cc1 919104158 XCENSWYVRUWENO-UHFFFAOYSA-N 483.500 2.033 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCC(CN2CCOCC2)CC1 919784359 PTNHRTZHOWMDLC-UHFFFAOYSA-N 497.619 2.196 10 20 JECD CC(C)CN1C(=O)/C(=C/Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C(=O)NC1=S 920980050 UQNQWYSDBUGLDY-GXDHUFHOSA-N 471.004 2.320 10 20 JECD COc1ccc([C@H](C)C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc1 1777846331 CCVZBMHSXNDGJR-CQSIOLINSA-N 469.538 2.433 10 20 JECD CC(=O)Nc1ccccc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007344 FPALSXQNGWEQIK-QHCPKHFHSA-N 473.913 2.467 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@H]1C[C@@]1(F)Cl 1782289200 XTOCSTVLASPUGE-ZDZLMVPKSA-N 476.936 2.218 10 20 JECD COC1(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)CCC1 1783223165 YIDDQHIZRYZZQO-YGBPNOIISA-N 474.554 2.290 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(F)cc3F)C[C@@H]21)c1cc(O)nc(O)c1 1787290235 LCHCXNSVRJWBHO-KZDRFYRXSA-N 459.449 2.078 10 20 JECD COc1ccc(Cl)c(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)c1F 1787295173 SDTNNWJJPMOTLD-QITLCBANSA-N 493.919 2.130 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnc(Cl)c3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790242036 HUSQLBQFBFWCCJ-NKFCBESUSA-N 467.309 2.102 10 20 JECD Cc1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c(C)s1 1792217426 BYNCMQVIESPQLY-QEEYCIGUSA-N 487.578 2.112 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3cn4cccnc4n3)CCC2)cc1 1792315296 ZHVWNMBVFYKRAD-UHFFFAOYSA-N 480.575 2.337 10 20 JECD CCOc1ccsc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1792434586 YUVKVOGNRGSIQV-CLLJXQQHSA-N 453.611 2.259 10 20 JECD O=C(CCNC(=O)c1ccccc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796935379 BYXUZQVZHMNDRH-QQFNCUIESA-N 487.560 2.238 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)C1=NO[C@H](c2ccccc2)C1 1797176345 CAHHCUHCDCKPAL-GQSCTRQFSA-N 485.924 2.472 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)[C@@H]1CCC[C@H]2CCCC[C@H]21 1797265356 ZUZHZFMWGPUCCL-PAXJFUQBSA-N 479.668 2.043 10 20 JECD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1 1800718096 FMHVMXSFSGTSGU-FZKCQIBNSA-N 497.976 2.279 10 20 JECD Cc1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)c(C(F)(F)F)o1 1804333458 LOWKJNXUMSBNGQ-JGPRNRPPSA-N 476.502 2.114 10 20 JECD Cn1cc(CCC(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)cn1 1807427133 NQLRSKVBRGTBDB-HFZDXXHNSA-N 499.575 2.247 10 20 JECD C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)O1 1808468778 XMHZRFATJPXLSI-KSZDXEJVSA-N 475.549 2.448 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc2ccccn2n1 1809057370 MTDKKZUXFPOYPW-OPAMFIHVSA-N 458.478 2.169 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cc2ncccc2[nH]1 1812077210 RVBVEILBZOSNIQ-IVZQSRNASA-N 458.478 2.398 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cccn2nccc12 1812153319 FCJLUQHCQQXIKO-OPAMFIHVSA-N 458.478 2.169 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)/C=C/c2cnccn2)[C@H]1c1cccnc1 1814166624 REZVMQZSAXVRCB-MTKTVEPKSA-N 487.516 2.421 10 20 JECD CCOc1ncccc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814184801 GJLZOJNXSIHTQL-JXFKEZNVSA-N 499.618 2.055 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]c3ccccc13)CC2)c1cc(O)nc(O)c1 1816725973 PRNHRLKODBNHAU-NSHDSACASA-N 450.480 2.365 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(N3CCOCC3)c1)CC2)c1cc(O)nc(O)c1 1816730035 ZRDLSNAEJLZRNX-MRXNPFEDSA-N 495.561 2.326 10 20 JECD O=C(COc1ccc(F)cc1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1816870390 XMGJSXNPOCKLFK-MRXNPFEDSA-N 491.570 2.480 10 20 JECD CNCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1817309301 ZPXFYRCPWKNRFF-IBGZPJMESA-N 451.531 2.194 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cc(O)nc(O)c4)n[nH]3)c21 1817846086 IACOYPFBOBNFHU-MRXNPFEDSA-N 477.481 2.428 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3nonc3c2)[nH]n1 1823498381 QBZWMTNJVFAQLH-OAHLLOKOSA-N 485.551 2.112 10 20 JECD Cn1nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)cc1O 1825458867 LXOSHMDDKPMQHH-OAQYLSRUSA-N 478.553 2.152 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCc3ccoc3C1)CC2 1828241813 CPBFYKRCPIUPAS-QWHCGFSZSA-N 490.632 2.314 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@@H](F)c3ccccc3)CC2)CC1)c1cc(O)nc(O)c1 1834986003 URWYGVVHXNMMTO-QFIPXVFZSA-N 456.518 2.389 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1nccc3occc13)CCO2 1836293780 MJKNKWHHMBXKCK-QHCPKHFHSA-N 487.896 2.276 10 20 JECD C[C@@H]1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1836758086 GDGDQTFEUQQXKN-VKIFBMEASA-N 452.935 2.257 10 20 JECD Cc1ncc(C(=O)N2CCC(OC3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)CC2)[nH]1 1836963459 RGDYUPMSBRUUME-UHFFFAOYSA-N 478.553 2.123 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCCC12CN(C(=O)c1ccc(O)nc1)C2 1843331375 QZBXOOLZSYKQDD-HXUWFJFHSA-N 495.580 2.322 10 20 JECD CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C[C@@H]2C[C@@H]21 1847035394 XSWHVBADKWUZFX-WLHKCWHESA-N 499.564 2.418 10 20 JECD CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3cccc(N(CC(N)=O)Cc4ccccc4)c3)ccc21 728877077 JKYWXELCPYCYHD-UHFFFAOYSA-N 471.517 2.454 10 20 JECD CC1CCN(c2ccc(CNC(=O)N3CCN(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)cc2)CC1 731048014 CKTLCTVZCZBRSP-NHCUHLMSSA-N 493.674 2.104 10 20 JECD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccc(N3CCSCC3)cc2)C1=O 917386918 OTKYOKQHRVIYES-HSZRJFAPSA-N 456.543 2.462 10 20 JECD CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1OC 917759420 RLOAVYRMPNCLJH-UHFFFAOYSA-N 453.542 2.167 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)N3CCN([C@H](C(N)=O)c4ccccc4)CC3)cc2F)C[C@@H](C)O1 918199591 JEOGNXJZVBJMOB-GLDPYIMESA-N 483.588 2.493 10 20 JECD O=C(COC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)NCc1ccc(N2CCOCC2)c(F)c1 918946837 ZMENIARERDMJES-JOCHJYFZSA-N 485.512 2.253 10 20 JECD COc1ccc2c(c1)C[C@@H](C(=O)OCC(=O)NCc1ccc(N3CCOCC3)c(F)c1)CO2 919101269 ZNOLYUSQCWOUSD-GOSISDBHSA-N 458.486 2.082 10 20 JECD CCCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1Cl 919795067 PFEZRRYEGQENDL-KRWDZBQOSA-N 499.999 2.436 10 20 JECD CCOc1ccc(N/C=C2/C(=O)NC(=S)N(CC(C)C)C2=O)cc1S(=O)(=O)N1CCCCC1 920978443 BEVMFBWFJBBRPQ-LGMDPLHJSA-N 494.639 2.455 10 20 JECD Cc1cc(C(=O)COC(=O)[C@H](C)OC[C@@H]2CCCO2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 921096102 OZMQEBPLFHHMHX-WMZOPIPTSA-N 464.540 2.052 10 20 JECD O=C(C[C@@H]1CNc2ccccc2O1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1778931095 HLCMUNNHMMFKDR-GYCJOSAFSA-N 487.940 2.458 10 20 JECD CCOc1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1780549932 VOQZPDFSHVXYST-GVODCENMSA-N 468.506 2.359 10 20 JECD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004547 ZZSBTWHVWAVVOQ-QKFKETGDSA-N 497.976 2.356 10 20 JECD CC(C)N1CCC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1782766158 BZRWRYSICGSHMP-VPYCTPPASA-N 487.597 2.203 10 20 JECD CCN1CCC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C/c3ccc(O)c(O)c3O)C2)CC1 1783222567 BORQIXVAEKHIFK-YRHVXKOMSA-N 487.597 2.062 10 20 JECD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1)c1ccc(Cl)cc1 1785539007 DDXBIBJPIZGTEY-SZNDQCEHSA-N 482.027 2.134 10 20 JECD CC(C)(C)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)s1 1787710559 VHOVCOOWUZXSPX-KKUMJFAQSA-N 495.692 2.499 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)c1cn2ccccc2n1 1787840975 NGHKBVGOOJDVAN-RFUYNDQBSA-N 470.913 2.306 10 20 JECD Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)oc2ccccc12 1787895773 CATPRFYUNFLDLA-FNHZYXHNSA-N 451.479 2.455 10 20 JECD COC(=O)CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1791353008 ISERVAGVXWMNFT-QOKNQOGYSA-N 482.961 2.468 10 20 JECD C[C@H](C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1)n1cnnn1 1791920153 YIMAAJPDNBJDMG-LZTOIUFZSA-N 464.482 2.198 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)s1 1792217550 HIKXHRMRIQGJBG-BODLRDTPSA-N 474.535 2.180 10 20 JECD CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796601172 BCAWKVCYAZOPQG-FZKCQIBNSA-N 496.511 2.389 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OCCCO)cc1)C1=NN(c2ccccc2)C(=O)C1 1799243842 RMTGJPNGYRGOOR-QQFNCUIESA-N 490.560 2.493 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)c2ccccn2)C3)cc1 1799619958 AHZHFWSJCHCJRI-JQOLTRQRSA-N 473.577 2.392 10 20 JECD Cc1nn(C)cc1C(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1803826258 ZCWSYUIHSUXPRK-NTKDMRAZSA-N 485.548 2.236 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CC23CCCN2CCC3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999570 LYEXGDIYMIQIJD-WZONZLPQSA-N 465.554 2.226 10 20 JECD COc1ccccc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1811729384 ZGNROSCYXDCQEM-KKSFZXQISA-N 484.603 2.270 10 20 JECD O=C(CCc1ncc[nH]1)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1813276944 CZYWWVXKIOLYOB-MJVRMULPSA-N 477.521 2.274 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)c2ccc(CO)o2)[C@@H]1c1cccnc1 1814163855 OCTYPTRSERNNPZ-ISKYRRHISA-N 479.489 2.317 10 20 JECD COc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cc1 1814189380 GMRLNDKBKKPRGH-UWJYYQICSA-N 484.603 2.270 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)[C@H]1CC(c2ccccc2)=NN1 1821617227 VAHSJICDFITMRL-MOPGFXCFSA-N 475.509 2.288 10 20 JECD CC(C)[C@@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827715436 UNKOQVVKSLHGED-FYYLOGMGSA-N 454.571 2.416 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)C3CCSCC3)sc2C1 1828342373 STGYUKUMJPGSSG-NSHDSACASA-N 470.667 2.059 10 20 JECD O=C(c1ccc(Cl)nn1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902107 YOGRHCBPGLWIFK-OAHLLOKOSA-N 482.031 2.224 10 20 JECD CC(C)(C)OC(=O)CCCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834986065 ZDGPVKULPQKUNF-UHFFFAOYSA-N 490.601 2.190 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3cc(O)ccc3F)CC2)CC1 1838030135 BNZKEDVUJWDDOJ-UHFFFAOYSA-N 459.474 2.264 10 20 JECD O=C(c1ccc2ncoc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434312 YDZQTKIPPKFEGQ-QHCPKHFHSA-N 487.896 2.276 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2ccc3c(c2)OCCO3)C1 1843629501 REINYELIYIXKQF-QPJJXVBHSA-N 452.463 2.105 10 20 JECD O=S1(=O)CCN(c2ccc(CNS(=O)(=O)c3ccc(OCC(F)(F)F)cc3)cc2)CC1 726976575 NXHWNWHQKUVBGV-UHFFFAOYSA-N 478.514 2.341 10 20 JECD CN1CCN(CC(=O)N(C)c2ccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)CC1 728393819 QHEKZVTZEBPSPZ-UHFFFAOYSA-N 494.640 2.397 10 20 JECD NC(=O)C1CCN(c2ncccc2CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 729610882 DAUGJGBBNQMIIL-OAQYLSRUSA-N 467.570 2.380 10 20 JECD O=C(CNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)NC1CCCCC1 746891907 IBYVTNUBKUXLRV-UHFFFAOYSA-N 476.511 2.280 10 20 JECD C[C@@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 748918328 UOAJXHHRRGHGIA-CYBMUJFWSA-N 475.413 2.102 10 20 JECD CNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 811824570 GJLBBIWQRYTJFV-UHFFFAOYSA-N 492.509 2.474 10 20 JECD CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3cc(C(N)=O)n(C)c3)n2)cc1 913078139 XDIAJIHWQQOHTR-UHFFFAOYSA-N 461.569 2.117 10 20 JECD CN(C)c1ccc(CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C2CC2)cc1 914480978 MGCHIICFRZUQGA-UHFFFAOYSA-N 461.544 2.301 10 20 JECD O=C(Cn1cnc2ccc(Br)cc2c1=O)NCc1ccc(N2CCOCC2)c(F)c1 917174969 CVZJYMWXBGRQAY-UHFFFAOYSA-N 475.318 2.451 10 20 JECD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 917834981 VWBJHDHGVOEMSE-UYAOXDASSA-N 490.651 2.228 10 20 JECD C[C@@H](OC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)C(=O)N1CCOCC1 1343802723 YBAVKKSQIVCUKV-DYTQJMLRSA-N 499.408 2.441 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cccc(F)n1 1779672531 CMJMEHYKBUKMKN-CJFMBICVSA-N 479.512 2.141 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)Cc1cccc(F)c1)CCO2 1785508210 AOPLNQORNNZGTM-SXBBHYFQSA-N 456.470 2.028 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc(-n2cccn2)cc1Cl 1790000786 RINGLQWOYCJTGP-DCPHZVHLSA-N 497.939 2.239 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC3CCOCC3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243532 VHZZABPMZQXKHF-QOKNQOGYSA-N 452.935 2.161 10 20 JECD CCN(CC)C[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790246186 QFUWQYIBTHDCRT-RPWFAHAXSA-N 467.994 2.322 10 20 JECD Cc1nnsc1C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CSC3=S)cc2)CCC1 1792315131 HLTXXQGZVILTPL-UHFFFAOYSA-N 461.594 2.455 10 20 JECD Cc1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c(C)s1 1794181522 AQDWZWJHVLNBTA-HBCWATKFSA-N 465.959 2.270 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1ccccc1[N+](=O)[O-] 1802185049 FZIBJXJRDOWTCI-BTTYYORXSA-N 494.620 2.185 10 20 JECD COC(=O)[C@H]1CCC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1804291688 UJAGPEUJGJJIMH-PDOGQZKBSA-N 472.538 2.434 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnn(-c3cccnc3)c2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807991263 OSLPPVSCXKKSFW-HXOBKFHXSA-N 485.504 2.102 10 20 JECD Cc1cccn2ncc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)c12 1808001690 VVCABXAEOHVLKE-GAJHUEQPSA-N 472.505 2.477 10 20 JECD CN1CCC[C@H](C(=O)N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)C1 1808470353 WIWBXWYAVAHJLV-CZSZKKDXSA-N 488.592 2.222 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cn2cccn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803241 GSRMOGUZAUGPNM-QRWLVFNGSA-N 455.902 2.363 10 20 JECD Cc1ccn2c(C(=O)NC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)cnc2c1 1812254475 VGRSNQUZSWQUNL-SBUREZEXSA-N 472.505 2.477 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)[C@H]2CCc3ccoc3C2)[C@H]1c1cccnc1 1814185870 VQZLXQHQOYVRRR-ZJBJCVSYSA-N 498.630 2.346 10 20 JECD COc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)ccc1[N+](=O)[O-] 1816728086 HLSFGMZKBZIGEZ-LBPRGKRZSA-N 485.478 2.406 10 20 JECD Cc1nnc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)o1 1818146704 YCNCTLVEYIXSIW-SFHVURJKSA-N 476.497 2.129 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)c3ccc4nncn4c3)sc2C1 1819182524 SVMHILQOXOULBM-SMDADKPZSA-N 492.517 2.242 10 20 JECD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2)N1CSCSC1 1819964243 MPCRAPHBRPZOFL-CMPLNLGQSA-N 481.625 2.218 10 20 JECD CN(C)c1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CSC2=S)CC3)cc1 1822214394 QHDZGLLGGAALJB-CYBMUJFWSA-N 489.648 2.295 10 20 JECD Cc1ccc(C(=O)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)cc1 1822294704 FVQIFKURBQRPIJ-INIZCTEOSA-N 485.591 2.453 10 20 JECD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)n1cncn1 1822772132 VLBUGXZKHLNRLI-KQOCBEFLSA-N 467.486 2.085 10 20 JECD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827430038 ZUDXYOUCCZMBCW-LDVBQKTRSA-N 482.537 2.496 10 20 JECD Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c(O)c1 1828249029 CZIHUBMYRFSRKJ-NSHDSACASA-N 476.605 2.243 10 20 JECD CC(C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1828798796 BERHAOSDFVEKIS-VWLOTQADSA-N 482.537 2.215 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCC3(F)F)C2)C1 1840880115 XCYDGNHQNODLDT-HZXAIQCSSA-N 496.507 2.099 10 20 JECD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843251039 PMWGTPXATPZOKA-QGZVFWFLSA-N 486.569 2.347 10 20 JECD O=C(Cc1cccc(Cl)n1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441233 GJWUTYGKYXUJMD-UHFFFAOYSA-N 451.914 2.274 10 20 JECD Nc1c(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)sc2nccnc12 1845500943 HNNDGZBGMJQTPF-UHFFFAOYSA-N 459.915 2.469 10 20 JECD CCn1c(COC(=O)c2ccc(C)c(O)c2O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 110530292 HWIRRQRNUFKHHE-UHFFFAOYSA-N 475.523 2.154 10 20 JECD CCCN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 727170464 QQXPPMRKMNUWKW-UHFFFAOYSA-N 459.568 2.297 10 20 JECD CCCS(=O)(=O)Nc1ccc(C(=O)OCc2cc(O)n3ncc(C(=O)OCC)c3n2)cc1 728107503 RINWUPOPVXWRQN-UHFFFAOYSA-N 462.484 2.120 10 20 JECD COc1ccc(-c2nnn(CC(=O)c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)n2)cc1OC 783868141 BOVOPRVUMRHFJY-UHFFFAOYSA-N 496.549 2.295 10 20 JECD CCO[C@H](C)c1nc(CN2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)cs1 857457578 XJFSRIHTSAGHDB-CQSZACIVSA-N 468.601 2.276 10 20 JECD NC(=O)[C@@H]1CC(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)=NN1c1ccc(F)cc1 917380991 PYICQDNYRAZACJ-FQEVSTJZSA-N 493.461 2.418 10 20 JECD COc1ccc(N2CCCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)cc1 917821697 QVBRTOLTQCEGAU-UHFFFAOYSA-N 479.624 2.059 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)COc3cccc(NC(=O)C4CC4)c3)cc2)C1 917835038 XXJTXYCZULYDQL-IBGZPJMESA-N 450.539 2.432 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)cc2F)C[C@@H](C)O1 918219093 DRDIQSXMURBOBN-LMMKCTJWSA-N 470.611 2.443 10 20 JECD CCCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918644911 LIBKQFLGCQMNMB-UHFFFAOYSA-N 450.582 2.035 10 20 JECD O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)NCc1ccc(N2CCOCC2)c(F)c1 919068947 MBGRYCLQPPFUBW-OAQYLSRUSA-N 495.551 2.364 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC(C(=O)N4CCCCC4)CC3)CC2)cc1 920255550 YKTRHKSCXBUIDE-KTKRTIGZSA-N 468.598 2.151 10 20 JECD Cc1cc(/C=C/C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)no1 1778127842 NJRAZRXNWVDSTR-TZTFUPGCSA-N 491.548 2.303 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NN(c4ccccc4)C(=O)C3)C2)nc1 1778128077 ZEJBWUVSVRILIU-ATIYNZHBSA-N 491.548 2.011 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)cc1 1781755149 FULYVKONPQBYQM-RUZDIDTESA-N 462.554 2.219 10 20 JECD CC[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)N(CC)CC 1782004550 ZZYYYIYGDZBUHR-HTAPYJJXSA-N 453.967 2.315 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cc3cccnc3[nH]1)CCO2 1782005517 KZRLMUFODJMYGG-QFIPXVFZSA-N 456.886 2.385 10 20 JECD COc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)c1 1782923166 ZHUJDWLXWLITHV-WZONZLPQSA-N 459.474 2.082 10 20 JECD Cc1c(F)cccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783243417 BBTPZRHSSCMVFZ-VGOFRKELSA-N 479.599 2.122 10 20 JECD CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)CC1 1783377009 SIWFEPQXWUIGRL-DRSNIGMVSA-N 467.657 2.139 10 20 JECD C[C@H](Sc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1784419630 HKBAEDMYABIEMS-RHYXRXPESA-N 485.562 2.222 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1cc3cccc(F)c3s1)CCO2 1785540941 SEZRUVUIJYDIQK-NRFANRHFSA-N 493.607 2.344 10 20 JECD CC1(C)CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C[C@@H]32)C1 1791339402 SPQNUQNPGDVTJY-LRQRDZAKSA-N 452.555 2.195 10 20 JECD COc1ccc(OC)c(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)c1 1796599473 NMBFBJRQPRSBIR-BCDXTJNWSA-N 455.511 2.395 10 20 JECD CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C[C@@H](F)C1 1796600648 AZZGIKXLSKSPCZ-RZFLPCETSA-N 492.548 2.340 10 20 JECD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)ccc1F 1799572747 VCVLVVOEICYCPQ-CYPVSNLBSA-N 456.470 2.168 10 20 JECD Cc1ccc(OC(C)(C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)nc1 1799867863 SSBKKKLKZDKJRQ-MUJYYYPQSA-N 476.624 2.046 10 20 JECD CCc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)no1 1819892078 AAFCPSDQELCEJA-AWEZNQCLSA-N 462.557 2.126 10 20 JECD O=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1)C1CC1 1824121681 MFKBFPIVUGUCLR-OAQYLSRUSA-N 450.539 2.378 10 20 JECD Cn1cccc1C(=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)CC2 1827007044 PRQSONOXXSSHDX-OMDQHUAHSA-N 482.518 2.107 10 20 JECD Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)cc1O 1828247223 QDTHHFHNHZGEGG-GFCCVEGCSA-N 476.605 2.243 10 20 JECD CC(=O)Nc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)o1 1832902792 VUUGWKXUPWQYPJ-INIZCTEOSA-N 492.623 2.332 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(=O)oc2)CCO3)cc1 1834597113 USVRSPGMLMSKEM-HHHXNRCGSA-N 491.544 2.431 10 20 JECD COc1cncc(CCC(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)c1 1843441371 OUIGSNCHEXOCPA-UHFFFAOYSA-N 461.522 2.019 10 20 JECD COc1ccc(N2CCC(NC(=O)N3CCC(CNC(=O)c4cnn(C)c4)CC3)CC2)cc1 726713626 OMOWWVXNVKXQLT-UHFFFAOYSA-N 454.575 2.249 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)CC2)cc1 742927333 OSHBSHSYVUKQKE-UHFFFAOYSA-N 474.627 2.276 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 747312095 QNXFBMZFTJIXCV-UHFFFAOYSA-N 468.623 2.369 10 20 JECD Cc1nn(C)c2[nH]c(=O)c(CCC(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)c(C)c12 914936398 VWZBQVRANWTYQA-UHFFFAOYSA-N 453.543 2.079 10 20 JECD COc1ccc(CN2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1F 917030442 CXZDTBWMYDKEMO-UHFFFAOYSA-N 474.552 2.244 10 20 JECD CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)cc1 917916490 ILIMRVXJOCBKSI-JOCHJYFZSA-N 460.556 2.075 10 20 JECD CNC(=O)[C@@H](NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 918848863 ZKXPYEFAKRCJIU-QFIPXVFZSA-N 456.454 2.222 10 20 JECD CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 919698249 YWHAWGMQICKBQO-UHFFFAOYSA-N 484.557 2.244 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)Nc1ccc(-n2cnnn2)cc1 919772341 TVLATAKCERDCSD-UHFFFAOYSA-N 474.504 2.240 10 20 JECD CC(C)c1cc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)on1 1780373550 QDNRQRYNXIGVNC-DEOSSOPVSA-N 465.510 2.034 10 20 JECD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)C1 1782009722 ZZGBRHIJCUAVQM-AQKDONEWSA-N 480.945 2.174 10 20 JECD Cc1cc(F)cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c1 1783246732 GTUJANJLWKWEGE-WZONZLPQSA-N 493.626 2.051 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 1783407549 MMGPVAXDBYWDQD-SKCUWOTOSA-N 486.572 2.414 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(CCN(C(=O)CCc3cnc4[nH]ccc4c3)C2)C1 1783680168 QVYVSTSWACBURU-MXILHCRZSA-N 492.532 2.156 10 20 JECD O=C1C[C@H](C(=O)NC2(c3ccc(NC(=O)C4=NN(c5ccccc5)C(=O)C4)cc3)CCC2)CCN1 1788674006 LTJJSXFPOBKNHP-QGZVFWFLSA-N 473.533 2.440 10 20 JECD O=C(C[C@H]1CNc2ccccc2O1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1797678993 XUCGUSIIQJFLRE-CPBBTPEFSA-N 487.940 2.218 10 20 JECD O=C(Cc1c[nH]c2ccccc12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1799124213 UGDUOQODDVRCPR-XTIHSXFESA-N 485.544 2.093 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)n2cncn2)cc1 1801359559 FTMZPDAIEFYVDT-DXKRWKNPSA-N 462.554 2.150 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc3ncccc13)C2 1802079176 VZQGBHQQZHUZPH-KYZQAEAJSA-N 489.528 2.197 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccccc3o1)C2 1802079760 WSGXVNXMYBQWPL-QUKZKKHZSA-N 464.474 2.466 10 20 JECD COc1cccnc1CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1804453049 NGACBIYOVXYAMU-OSPHWJPCSA-N 477.521 2.244 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2nnsc2C2CC2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993412 KHTXMQQBXXOICI-KUHUBIRLSA-N 466.523 2.250 10 20 JECD CC(=O)Nc1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1807995255 FWALXDNMSBLLPV-DFBJGRDBSA-N 489.532 2.409 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CNc3ccccc32)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995346 YEAUTUBFTPPUBG-QUZZAMIASA-N 459.506 2.417 10 20 JECD Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1808470441 WQQJBKREDKUESR-FQRUVTKNSA-N 499.575 2.463 10 20 JECD Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1810398022 WQKSHXLNNXFYJM-FQRUVTKNSA-N 499.575 2.463 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cnc2ccc(F)cn12 1812238861 IELWTXHFIOZDML-NYHFZMIOSA-N 476.468 2.308 10 20 JECD Nc1ccccc1/C=C/C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814186601 UESROBCNTBKGRX-MPAHJKEMSA-N 495.630 2.243 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(Cl)nc4n[nH]cc34)sc2C1)c1cc(O)nc(O)c1 1816063863 RJHAHTGTWYFOLS-VIFPVBQESA-N 485.913 2.414 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)[nH]n1)c1cc(O)nc(O)c1 1817847477 GFAMUGIGQXKRMY-AWEZNQCLSA-N 468.426 2.449 10 20 JECD Cn1cc(F)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823497245 BNJIGFHZUPNPCP-ZDUSSCGKSA-N 464.548 2.054 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)Cc2cnc3ccccn23)[nH]n1 1823497882 ZNXDTQHKCXSBJA-MRXNPFEDSA-N 497.606 2.153 10 20 JECD CC(=O)N(C)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823708038 GUQTXMOVPLGDTL-LBPRGKRZSA-N 466.947 2.302 10 20 JECD N[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)c1cccnc1 1827426369 RQGMMFNLGIUROX-PMACEKPBSA-N 453.543 2.211 10 20 JECD Cc1cnc2c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)CC3)cnn2c1 1827428083 GVZBIJAEXXUNOL-IBGZPJMESA-N 464.526 2.391 10 20 JECD CCC1(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)COC1 1838740920 SLVWSDOHJCAQDT-GQCTYLIASA-N 474.554 2.242 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)s3)C2)C1 1839431917 WJIWMFMLUJZHBM-FQEVSTJZSA-N 470.906 2.336 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1841777448 JCPNNUAFKQPUFZ-MRXNPFEDSA-N 460.531 2.099 10 20 JECD CC(=O)N[C@@H](C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)c1ccc(F)cc1 1847038284 LUECCNMJVAPHRF-VMLCMGRWSA-N 483.496 2.037 10 20 JECD CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 72052334 UZQSKHBNMVVHMB-FQEVSTJZSA-N 450.539 2.354 10 20 JECD COc1ccc(N2CCC(NC(=O)CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1 726561583 FVGYJJFAAIDOTI-UHFFFAOYSA-N 486.638 2.095 10 20 JECD C[C@@H](NC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)c1ccc(N2CCOCC2)cc1 726709752 ZILCWYXJOFEDTR-GOSISDBHSA-N 454.575 2.169 10 20 JECD Cc1nnc2ccc(C(=O)OCC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cn12 726814416 VXJRWLVSOVRUIL-HUUCEWRRSA-N 455.490 2.264 10 20 JECD COc1ccc(N2CCN(CCNC(=O)c3cc(S(C)(=O)=O)ccc3Br)CC2)cc1 728862822 MVXUANOUEROUEL-UHFFFAOYSA-N 496.427 2.413 10 20 JECD CN(C)CCCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 730680803 UZHXJEOSZSHIOR-UHFFFAOYSA-N 472.561 2.372 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3CCN(Cc4ccccc4)C3=O)CC2)cc1 744878524 ZJPZBDNQJHKWDP-XMMPIXPASA-N 465.598 2.308 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)c3ccccc3OCC(=O)N(C)C)CC2)cc1 843443772 PUQMUUHBNFWHKT-UHFFFAOYSA-N 454.571 2.104 10 20 JECD O=C(CN(CC(=O)NC(=O)NCc1ccco1)c1ccc2c(c1)CCC2)NC(=O)NCc1ccco1 914867541 XLPUQTKMMKIFGN-UHFFFAOYSA-N 493.520 2.220 10 20 JECD CNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 915416587 GUFDYYZTJZMIPJ-LBPRGKRZSA-N 482.470 2.147 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)N3CCCN(CC(F)(F)F)CC3)CC2)cc1 916196880 RKESEWTVVIFHHZ-UHFFFAOYSA-N 457.541 2.487 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCNC(=O)c3ccccc3Cl)cc2)C1 918118937 WJRGBSCLFFHUHD-QGZVFWFLSA-N 457.962 2.271 10 20 JECD CC(=O)N[C@@H](CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C)cc1 918900713 OOSIDSKXLSGBEI-QFIPXVFZSA-N 471.529 2.398 10 20 JECD Cc1cc(C(=O)COC(=O)Cc2cnn(-c3ccccc3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 919337738 ITEXPCRQYKBLBO-UHFFFAOYSA-N 493.545 2.291 10 20 JECD COc1cc(N2C[C@H](C(=O)NCc3ccc(N4CCOCC4)cc3)CC2=O)cc(OC)c1OC 919767088 BIPKOJCNHPNUPK-GOSISDBHSA-N 469.538 2.218 10 20 JECD CCOC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919783767 MGIWJDVRGYODML-LJQANCHMSA-N 470.549 2.427 10 20 JECD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 919813954 VHVPCCOFAOSQEM-UHFFFAOYSA-N 471.457 2.381 10 20 JECD CCCC(=O)Nc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc1C 1780114776 KRSNEMLCOBVWRE-RUZDIDTESA-N 482.537 2.297 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(CCN(C(=O)c3cc(F)c(F)cc3F)C2)C1 1781585933 CKPBKJHUJMTHOB-ZGVNINRLSA-N 478.423 2.378 10 20 JECD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1782969206 BNWJJJABUVLGSE-JOCHJYFZSA-N 493.875 2.485 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)COc3cccnc3)CCC2)cc1 1792314085 QXIWEJYDFAPAGF-UHFFFAOYSA-N 470.576 2.455 10 20 JECD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(C(F)(F)F)o1 1796409584 SVBQKXDKYVHGCD-RQXKGGGESA-N 497.426 2.035 10 20 JECD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)cc1F 1798874572 XMUGJRGVPUGRDC-ZLSBKTEHSA-N 456.470 2.168 10 20 JECD O=C(CCN1CCOCC1)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1806954195 KSWUBUVTDVDCDK-JTSKRJEESA-N 488.972 2.188 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2n[nH]c3c2CCCC3)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994060 NNWGJDXTFAFASG-OYHNWAKOSA-N 462.510 2.123 10 20 JECD COc1cc(CC(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)ccc1[N+](=O)[O-] 1810546448 HUGXABZOAKJJQX-UHFFFAOYSA-N 484.509 2.497 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1c(F)cncc1F 1811042067 ZADQDZUHPVLRDK-RNODOKPDSA-N 455.421 2.194 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803118 FNFUWWPUTMWQMK-YCRPNKLZSA-N 472.929 2.088 10 20 JECD O=C(Cc1ncccn1)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815997627 GGCYWADQSIILQM-LJQANCHMSA-N 472.509 2.227 10 20 JECD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3ccnn13)CC2)c1cc(O)nc(O)c1 1816728993 OWWWUXUQUGVKDB-LBPRGKRZSA-N 450.480 2.137 10 20 JECD Cc1cnoc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1821127310 LYGWPKKEWRPIMA-ZDUSSCGKSA-N 464.507 2.458 10 20 JECD CCOCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1827131737 LROPHFRPCQQGOH-AWEZNQCLSA-N 455.540 2.275 10 20 JECD O=C([C@H](O)Cc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429427 KWTHPHLZUAGVNW-NHCUHLMSSA-N 453.539 2.330 10 20 JECD O=C(c1ccnnc1O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827716151 CFBKZJQGVXWBKW-NRFANRHFSA-N 476.537 2.208 10 20 JECD Cc1ccccc1NCC(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828242657 PXMFSLIYUQBFQH-ZDUSSCGKSA-N 489.648 2.336 10 20 JECD C/C(=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)C(=O)O 1832882627 LQKZFWCPJLWUNL-MMURNSSMSA-N 458.511 2.467 10 20 JECD C[C@@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)O1 1832902121 KYHSJZSJJCJQHP-HYVNUMGLSA-N 453.630 2.034 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)n4ccnn4)C3)C2)cc1 1839348086 AQUXCUKBBXJLCQ-LVXARBLLSA-N 492.580 2.017 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)cc3)C2)C1 1840881586 XSBOEAKQZYRJCY-LHLOKTHNSA-N 488.924 2.240 10 20 JECD COC(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c(C)c1 1846921017 SRSZNMNJMCLLLI-RMKNXTFCSA-N 466.490 2.429 10 20 JECD CNS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1OC 108215529 QNBALOUBDRSPMY-UHFFFAOYSA-N 487.500 2.389 10 20 JECD COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)CC2)cc1 726726898 WZVQLFYDYXITQY-UHFFFAOYSA-N 464.522 2.068 10 20 JECD Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccn(C)n3)cc2)cc1[N+](=O)[O-] 727350495 OKOFQAVRPXXFCY-UHFFFAOYSA-N 451.486 2.238 10 20 JECD CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 744377174 LHBXBTBBFKQVKM-CHWSQXEVSA-N 464.500 2.134 10 20 JECD CN(C)C(=O)N1CCN(C(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CC1 915196732 WYRZOXPROFDMBP-PTNGSMBKSA-N 497.440 2.476 10 20 JECD CC(C)NS(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 918031083 KEBOKBVSUOQWJT-GOSISDBHSA-N 473.599 2.397 10 20 JECD COc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918043762 XMYNKVIKDNLGBC-SFHVURJKSA-N 453.543 2.420 10 20 JECD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 918295969 VAMIGECEXUXIPP-UHFFFAOYSA-N 483.546 2.354 10 20 JECD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)C[C@H](C)O1 918305145 DOJYXLQBBACHKO-ROUUACIJSA-N 488.610 2.148 10 20 JECD CSCC[C@H](NC(=O)c1ccco1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 918372107 LJNHSRKNTDCQNZ-MJGOQNOKSA-N 458.584 2.149 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CCc3nc(O)c4c5c(sc4n3)CCC5)nc12 918925738 OBEVPYBJWVVPNH-UHFFFAOYSA-N 483.506 2.487 10 20 JECD COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(Cc4ccc(OC)c(F)c4)CC3)CC2)cc1 920252732 NYEYCVGAUDACIF-KTKRTIGZSA-N 496.583 2.392 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)c3cccn4cncc34)C2)C1 1778685549 CEKMYUFTNCVFEN-QFIPXVFZSA-N 456.886 2.156 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCc3ccccc31)C2 1783247232 YLYJSVMWAPFSTM-KHCICDEESA-N 487.647 2.091 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3cccc(Cl)c31)CCO2 1785546447 FNJIQMKQGJYXGG-OYHNWAKOSA-N 494.038 2.060 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)cc3C(F)(F)F)C[C@@H]21)c1cc(O)nc(O)c1 1787290237 LIGMCIYBHPXTLN-OWQGQXMQSA-N 497.445 2.487 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc4cnccc34)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540103 DMAQLSITYNXASN-OWSXEPHWSA-N 498.543 2.016 10 20 JECD COCCn1nccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1 1788753999 UISPMXZVZJTCQE-UHFFFAOYSA-N 451.483 2.397 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1ccc(C2(NC(=O)c3ccc4nncn4c3)CCC2)cc1 1792315153 JPYPDTWHPLGYOZ-UHFFFAOYSA-N 480.575 2.337 10 20 JECD CCC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)n1cccc1 1796388118 NNHRGZOSRPUDJV-QTMKABEBSA-N 469.538 2.249 10 20 JECD CC(C)(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)ccn1 1796480356 BVIAICMEUKWCAG-NHKMSHSESA-N 489.576 2.375 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccsc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796481401 VUWNIDBMAPLDLH-FEJSZKPUSA-N 466.563 2.063 10 20 JECD CC(C)(C)OC(=O)N1CCC=C(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)C1 1796598959 QNDCJWSOMVRLAH-BCDXTJNWSA-N 472.542 2.312 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccnc2ccccc12 1796776532 QJZYRKIFJKAKJA-MXORCFHQSA-N 475.501 2.268 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn[nH]c1)C2 1798418197 CDQVDQSWEFZYKF-FCGDIQPGSA-N 499.568 2.209 10 20 JECD COc1nc(C)ccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1798942919 YCUASSNDNQPTBR-NSSDBFJLSA-N 453.495 2.481 10 20 JECD O=C(/C=C/c1ccccc1Br)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1801103506 PVMAYSUSIQDBTD-CTSHNCOSSA-N 488.338 2.172 10 20 JECD CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)N(CC)CC 1807994775 ZUHFHFFEUIMTJW-LRXVAGHRSA-N 455.559 2.328 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc3nccn3c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995876 KVAGIWBPLOYKJP-OPAMFIHVSA-N 458.478 2.169 10 20 JECD COC(=O)N[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1)c1ccccc1 1810549430 PXGDGTBVQTYXGV-OAQYLSRUSA-N 482.537 2.435 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccc(O)nc1 1811465898 RKUSHDJPFTUMIJ-QXUSOGCVSA-N 476.489 2.332 10 20 JECD Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)o1 1813513561 LHWZTELNVSORRH-IIBYNOLFSA-N 472.592 2.092 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1CCN(C(=O)CCc2cncnc2)[C@H]1c1cccnc1 1814162631 OGOFVZFHPVBVSP-FEPWBRBISA-N 489.532 2.340 10 20 JECD O=C(C[C@@H]1COc2ccccc2O1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816720279 IOGIOCDDSXVFRB-ZIAGYGMSSA-N 482.518 2.405 10 20 JECD Cc1nccn1CC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362283 UOUJYDLNBAKNKY-OAHLLOKOSA-N 477.550 2.053 10 20 JECD CSCC[C@@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818147706 FGXOUFORSHHSPY-RTBURBONSA-N 484.582 2.309 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@]2(F)Cl)[nH]n1 1823499438 GXOBKGKJEPEBFN-LTHLMHMASA-N 459.956 2.187 10 20 JECD CCc1noc(C)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823499898 DNAHUNWRROMCEH-AWEZNQCLSA-N 476.584 2.435 10 20 JECD CCOc1cnc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)cn1 1825473232 SUTNOAZNNGTKRO-GOSISDBHSA-N 455.515 2.229 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)n2)CC1 1827602023 XTHOHCLFEWNNFV-MRXNPFEDSA-N 476.917 2.500 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1cnccn1)CC2 1828199688 CUMQGCHJRVSHKZ-UMHIICLLSA-N 479.518 2.389 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)CCc1ccco1)CC2 1828239718 DRZBRKGAEOSIKC-LLVKDONJSA-N 464.594 2.141 10 20 JECD Cc1ccn(C)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1829832157 MAHVNVRSLGRBFP-QGZVFWFLSA-N 462.641 2.427 10 20 JECD CCc1ncccc1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837292928 IGAPPQKJOXQRRK-UHFFFAOYSA-N 454.527 2.376 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)C34CCC(CC3)CC4)C2)C1 1840881814 PELLYUWAHCLIRZ-WATXELMPSA-N 486.565 2.243 10 20 JECD CC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1842654275 HIGPZTIYVPBMDH-GOSISDBHSA-N 489.569 2.106 10 20 JECD CC[C@@H](C)[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843330672 LSTDNPIWLUBTSC-DUXKGJEZSA-N 488.629 2.315 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccccc2C(F)(F)F)C1 1844887583 FMCSRRRFCJANQP-UHFFFAOYSA-N 457.499 2.383 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1847037928 XDLGEPJMWNKRAS-JKNJVXJCSA-N 487.553 2.277 10 20 JECD COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)NC(C)C 16134820 SBJIZVLLBZJBOC-UHFFFAOYSA-N 461.584 2.491 10 20 JECD O=C(O)CN1C(=O)/C(=C/c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2)SC1=S 17162957 JXFGHXUVRFXDAH-CBIKUMSCSA-N 480.570 2.258 10 20 JECD COC(=O)[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccccc2O1 726726320 KNKGNKDPXHLZOU-FQEVSTJZSA-N 489.475 2.340 10 20 JECD O=C(COC(=O)c1sccc1-n1cnnn1)Nc1cccc2c1C(=O)c1ccccc1C2=O 915046775 MGHIBUSRWHZWJB-UHFFFAOYSA-N 459.443 2.295 10 20 JECD Cc1cc(C(=O)[C@H](C)OC(=O)Cn2ccc(=O)n(C)c2=O)c(C)n1-c1ccc(OC(F)F)cc1 915399016 ZFVIZMMMXKSNFT-HNNXBMFYSA-N 475.448 2.371 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CCc3c(C)nc4cc(C)nn4c3C)nc12 919007376 KBUUWMHFASYIGQ-UHFFFAOYSA-N 452.471 2.256 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)C2)c1cc(O)nc(O)c1 1777850478 FCSINGPMGWGZBV-KYCQWFEFSA-N 451.523 2.424 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1778520094 TUASIYTVDHYHLH-JOCHJYFZSA-N 456.886 2.385 10 20 JECD O=C(Cc1ccc(F)cc1F)N1CC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1783376812 OPUFQPLUNPQFJQ-VWLOTQADSA-N 482.487 2.130 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)c[nH]3)C[C@@H]21 1792219398 UGEXQBJKDTXVPR-OPRXMZFISA-N 495.454 2.457 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C4CC4)cc3)C[C@@H]21 1792242287 XEJFDOYMVRMNJX-FHWLQOOXSA-N 473.620 2.018 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC[C@@H]3CCCC[C@@H]31)C2 1802103922 IGCAHIKETRAOGF-RDTNQEAYSA-N 479.668 2.043 10 20 JECD COc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] 1808000436 IPYHRHZIBVQTHT-AOMKIAJQSA-N 493.476 2.438 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc(O)cc1 1808425920 DPZCKIUFEBNOOY-LZFQIVBZSA-N 498.630 2.457 10 20 JECD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810549981 NBWDYVWMUWJKCD-KRWDZBQOSA-N 466.538 2.156 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)C2(C(F)(F)F)CC2)[C@H]1c1cccnc1 1814188964 HXUDSVPICBQELB-BBRMVZONSA-N 486.541 2.290 10 20 JECD COc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)cc1 1814189376 GMRLNDKBKKPRGH-DYESRHJHSA-N 484.603 2.270 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccccc2)[C@@H]1c1cccnc1 1814190251 VBNXVFXLXHZWQP-FXAWDEMLSA-N 454.577 2.262 10 20 JECD CCc1ncsc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814190292 WDCSHUWOGASHJC-KDOFPFPSSA-N 489.648 2.280 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccnc1S 1814450581 XGERNVIGQWVXAN-ZDUSSCGKSA-N 476.609 2.260 10 20 JECD O=C(CNc1ccc(F)cc1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722466 HZWSHKMUKAPPPK-AWEZNQCLSA-N 457.487 2.426 10 20 JECD CCC[C@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1823436650 KOKVWPSFNJHRAR-RXVVDRJESA-N 493.568 2.500 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)Cn2cnnn2)CC3)cc1 1823439425 HJBSTHJRXIYJOO-KRWDZBQOSA-N 476.566 2.463 10 20 JECD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)n1 1827948180 QYFPOLICCRZOKQ-MRXNPFEDSA-N 485.497 2.352 10 20 JECD CNC(=S)NCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1828931330 IAIBIVRKTSZKHB-QGZVFWFLSA-N 483.034 2.469 10 20 JECD Cc1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)ccn1 1832625390 JBTVCDSBNNNVPD-XMMPIXPASA-N 489.956 2.157 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3ccc(O)cc3)CC2)CC1)C1=NN(c2ccccc2)C(=O)C1 1835133996 SXMDUCVGNKWPSB-UHFFFAOYSA-N 489.576 2.370 10 20 JECD CS(=O)(=O)c1ccc(CC(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1842811053 NIOCNQCCBQJGHZ-UHFFFAOYSA-N 478.954 2.214 10 20 JECD CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)C1 1843248973 XXOXRCNPEFOOSJ-INIZCTEOSA-N 474.558 2.347 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)C1 1843903192 PDMWWBXWZOTNSD-GOSISDBHSA-N 495.580 2.240 10 20 JECD Cc1snc2sc(C(=O)N3CC4(CCCN4C(=O)CN4C(=O)CSC4=S)C3)cc12 1847056823 OGVQKVUYEUDVLJ-UHFFFAOYSA-N 466.635 2.344 10 20 JECD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 726292701 GRIDUEKKZKYZSH-UHFFFAOYSA-N 477.436 2.449 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 730537188 ZIZRDMOMNCCZIR-JOCHJYFZSA-N 457.596 2.381 10 20 JECD CON(C)S(=O)(=O)c1ccc(NC(=O)/C(=C\C2=S=CC=C2)n2nnnc2-c2ccccc2)cc1 744335578 SZWNOYVYHUFVSQ-HMMYKYKNSA-N 496.574 2.279 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NC3CCN(C4CCN(C)CC4)CC3)CC2)cc1 747990517 QSMPQRQUFSCXHQ-UHFFFAOYSA-N 472.678 2.065 10 20 JECD CNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 913363304 PKQFZTUCFKVGAC-JBBGTMGVSA-N 486.369 2.038 10 20 JECD CN1CCN(CCCNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 914442335 BROCYZAQGBNIOV-ICFOKQHNSA-N 452.671 2.483 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)[C@@H](Cc3ccc(F)cc3)n3nnnc3C)CC2)cc1 915699806 YLYHSAHPDVOOSI-XMMPIXPASA-N 481.576 2.242 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(N(C)C)c(C)c3)CC2)cc1 915744428 GDJWZQQPOCRLKA-UHFFFAOYSA-N 453.587 2.337 10 20 JECD CC(C)[C@H](CNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCOCC1 917008396 QWTXPUPYRBBLMH-FQEVSTJZSA-N 492.554 2.188 10 20 JECD CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 918284677 NOBNQOLZHRKEEW-UHFFFAOYSA-N 486.544 2.164 10 20 JECD O=C(COc1cccc(NC(=O)c2ccco2)c1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918337494 LMYHKDKMIKRCCD-UHFFFAOYSA-N 483.546 2.462 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3c(F)c(F)c(F)c(F)c3F)cc2)C1 918463894 OGJCJPLUNUUKHW-NSHDSACASA-N 470.398 2.339 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@H]1CCN2CCCC[C@H]12 919782618 BIESXLJXKSKFIT-RBBKRZOGSA-N 453.566 2.368 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccccc3CN3C(=O)CCC3=O)cc2F)C[C@@H](C)O1 920787304 OPKZBUZUBKORIU-IAGOWNOFSA-N 496.539 2.343 10 20 JECD COCCN1C(=O)/C(=C\Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)C(=O)NC1=S 920980392 LWUZRARSONKQOS-UYRXBGFRSA-N 488.591 2.290 10 20 JECD Cc1nc2ccc(F)cn2c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777852157 GHLHTDKSSHJHGG-MZNJEOGPSA-N 483.500 2.029 10 20 JECD CSc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1O 1780149392 OBLSXXYOOHONPJ-VWLOTQADSA-N 494.573 2.351 10 20 JECD O=C(/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)NCc1ccccc1 1782003950 PIZXTZDSARZZTE-ZHBSTKLQSA-N 499.951 2.067 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccnc(C(F)(F)F)c1)CCO2 1785508457 FWEUUQQLLRJQBV-WYAMSBGYSA-N 493.438 2.374 10 20 JECD COc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)C[C@@H]32)c1 1788893807 ADMWKUAXSCQBGL-ODYMNIRHSA-N 461.902 2.062 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cc2c[nH]nc12 1792218080 PJRRELIBTQWUHY-KWRASICWSA-N 492.532 2.295 10 20 JECD COc1cccnc1CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1794304183 USPYYTGOHDKUQE-HGTZELSKSA-N 467.522 2.491 10 20 JECD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc(O)cc1 1799302955 VJEKQZLYXWFNPZ-NZNSQFJMSA-N 460.914 2.464 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])C2)c1cc(O)c(O)c(Cl)c1 1799770167 KKKKCDPIQQFMOD-VTEUUUEMSA-N 493.875 2.244 10 20 JECD Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c(C(F)(F)F)c1 1802080072 HWNMTUPNIQGCIF-RHKGGUEYSA-N 495.454 2.077 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc(F)nc1F 1802308453 MYOAOGDSAYPCEF-ORAYPTAESA-N 455.421 2.194 10 20 JECD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)nn1C 1805594056 OSFKMVOQHXMUTR-AEVOMHCASA-N 477.521 2.273 10 20 JECD O=C(NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)[C@H]1CCCO1 1807690834 RHZRKELOKLXFBO-AAIMPIBUSA-N 461.522 2.059 10 20 JECD CC(=O)Nc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)o1 1810298888 XIRXFBCHQMEOFF-QVKFZJNVSA-N 465.466 2.073 10 20 JECD CCc1noc(C)c1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1810940844 QQCLBLLFNJARJZ-BTYIYWSLSA-N 451.483 2.380 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccc1F 1811680794 BUDFMZWOSSLVDX-FOIQADDNSA-N 472.567 2.401 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811806735 RBELSRSWEXEHDT-YJYMSZOUSA-N 497.895 2.268 10 20 JECD CCc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)cn1 1814186542 RUFQMZKLSZQJMC-IERDGZPVSA-N 483.619 2.219 10 20 JECD COCCOCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 1814311194 OWVFJIDMAVBZHU-NSHDSACASA-N 455.920 2.097 10 20 JECD C[C@@H](Nc1nccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823498628 RHGNYVLCBBFZNB-YPMHNXCESA-N 493.640 2.219 10 20 JECD O=C(/C=C/c1ccoc1)N[C@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828239745 GMPGYGOUNKNHOD-YJEWXARHSA-N 462.578 2.222 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)C1(C(F)(F)F)CC1)CC2 1828244887 WFOAAYZEATVTRC-MRVPVSSYSA-N 478.543 2.258 10 20 JECD CC(=O)N/C(C)=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878254 HRHHFWURSDDGSF-FKBBFRINSA-N 471.554 2.476 10 20 JECD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)C1(O)CCC1 1832899688 KPTPGHHVTNUZDK-WBVHZDCISA-N 467.657 2.018 10 20 JECD CCN(CC)C[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900471 ULQDGCGOSUKRPO-IEBWSBKVSA-N 482.716 2.444 10 20 JECD O=C(c1[nH]nc2ccncc12)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832902822 YOVCOVNCQSTGKM-KRWDZBQOSA-N 486.623 2.052 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1)c1ccnc(F)c1 1833587321 BIULKLICWZVQAY-UHFFFAOYSA-N 492.555 2.199 10 20 JECD C[C@H](Cn1cccn1)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833889303 VRFAYGZOKCGEOT-MRXNPFEDSA-N 490.004 2.469 10 20 JECD Cc1n[nH]c(C)c1C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1835872869 YTCVVHFEDPOHHG-GQCTYLIASA-N 483.569 2.042 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnn(C)c4)C3)C2)cc1 1839349054 BCCZPJBFTONARK-HHHXNRCGSA-N 491.592 2.140 10 20 JECD Cc1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433440 HOIMZGKRXYOIFV-QHCPKHFHSA-N 460.914 2.443 10 20 JECD COc1cc(CCC(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)ccn1 1841937053 WLJWUOAQOLTDTR-UHFFFAOYSA-N 461.522 2.019 10 20 JECD O=C1CSc2cc(C(=O)N3CCCC34CN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)ccc2N1 1843320209 JWCGDKBXISCCGP-QPJJXVBHSA-N 481.530 2.378 10 20 JECD O=C(c1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442257 HHVLAUCPWGTUQK-UHFFFAOYSA-N 487.476 2.081 10 20 JECD COc1ccc(CC(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1F 1846683642 RDOKRFDOEUUXNZ-UHFFFAOYSA-N 464.497 2.373 10 20 JECD O=C(c1ncn(-c2cccc(F)c2)n1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847033981 SQEFPHWTSKYOSG-SOFGYWHQSA-N 479.468 2.054 10 20 JECD O=C(c1ccc(Br)cn1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038959 VWYIXLIJSUBDRJ-XVNBXDOJSA-N 474.311 2.491 10 20 JECD COC(=O)c1sccc1S(=O)(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 23403003 BNRVZBSJZDKKAT-UHFFFAOYSA-N 453.586 2.034 10 20 JECD COc1cc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)ccc1OCC(F)(F)F 727177217 XUIURMRWESUGPZ-MDWZMJQESA-N 470.516 2.387 10 20 JECD COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(F)ccc3OC(C)C)CC2)cc1 727616294 VKROIJUSJXLKOC-UHFFFAOYSA-N 458.534 2.498 10 20 JECD CC[C@@H]1Nc2ccc(C(=O)OCC(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2NC1=O 729719038 KFKOSNDLDCUGPU-IBGZPJMESA-N 452.511 2.343 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Cn3c(S)nnc3-c3cccs3)CC2)cc1 742920586 KAPPSJFZEGZJEC-UHFFFAOYSA-N 458.613 2.242 10 20 JECD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccc4c(c3)CCCN4C)CC2)cc1 746814597 SXFZAAMKLXBSOI-UHFFFAOYSA-N 456.612 2.000 10 20 JECD Cc1ccc(Br)cc1NC(=O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 749273209 VDVPWPVTEVGYFK-UHFFFAOYSA-N 456.318 2.203 10 20 JECD Cc1nn(C)c2ncc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)cc12 918276308 DNUJBFMEEHLKOO-UHFFFAOYSA-N 476.459 2.387 10 20 JECD CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 918372108 LJNHSRKNTDCQNZ-PKOBYXMFSA-N 458.584 2.149 10 20 JECD O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 918441126 WKOGVMGPAURAEI-JOCHJYFZSA-N 484.528 2.159 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1 918705759 ISNMWECZYUWTHK-QGZVFWFLSA-N 462.472 2.453 10 20 JECD O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 920194865 KHDOXPZCACWXQK-UHFFFAOYSA-N 473.533 2.103 10 20 JECD C[C@@H](NC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(N2CCOCC2)cc1 920867008 OKXMKJBVPFLTSQ-QRWLVFNGSA-N 455.481 2.457 10 20 JECD COc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)ccc1C 1777852895 ZMBAIUYWATZYBY-NTKDMRAZSA-N 455.511 2.251 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3ccccc3N3CCCCC3)C2)C1 1782029973 VMBKIDRCYGEXOP-VWLOTQADSA-N 466.538 2.240 10 20 JECD C[C@H](Sc1cccs1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1788483982 DPWKWMCENIEJSL-AJNGGQMLSA-N 499.705 2.069 10 20 JECD Cc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)c(O)c(Cl)c4)[C@H]3C2)s1 1790242179 RZRWGIIKSPHOPK-RBOXIYTFSA-N 451.932 2.423 10 20 JECD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cc1 1792218319 RTWAXNWETGGNFQ-IBWVBOCMSA-N 468.506 2.119 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)C1=NN(c2ccccc2)C(=O)C1 1792398054 AOEBPZJHVJWIPB-RBVVOMGSSA-N 451.439 2.233 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cnc2c(Cl)cccn12 1796065993 LCBDPCZJWWHPBS-KSFLNHNRSA-N 498.923 2.021 10 20 JECD O=C(Cn1ccc2ccc([N+](=O)[O-])cc21)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796600817 GBMRVBHBQWJNOL-BJWYYQGGSA-N 465.466 2.308 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]cnc1-c1cccnc1)C2)c1cc(O)c(O)c(Cl)c1 1799769204 RXXIZWRGMLJISR-JLVBRIDZSA-N 483.912 2.053 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNc1ccc(F)cc1)C2)c1cc(O)c(O)c(Cl)c1 1799770829 LNXYQNFAXUZTQO-VTEUUUEMSA-N 463.893 2.206 10 20 JECD CC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1802550634 XPKMLXQKWIBGGS-QSFXBCCZSA-N 474.945 2.381 10 20 JECD COCCCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1802983370 WLQIGQDIDQQZPG-AVUHJFIJSA-N 455.511 2.344 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cccs1 1805392534 PBVIZBFWGJYJHC-KSSFIOAISA-N 460.606 2.323 10 20 JECD CN(CC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)C(=O)OC(C)(C)C 1807991037 MVIZKYLQZIKSFS-KKSFZXQISA-N 485.541 2.074 10 20 JECD COc1cccc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1807991196 NMSWJEPPDQQYJI-UUOWRZLLSA-N 462.506 2.459 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(CO)o2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808469555 PHGNDVQSEVDYBN-HOYKHHGWSA-N 487.516 2.279 10 20 JECD O=C(Cc1ccc2c(c1)OCO2)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1814137494 HWNXTIIENAKYIW-CYBMUJFWSA-N 468.491 2.147 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cnc4ccoc4c3)sc2C1 1816894892 XYNKCIGKUKKQMG-NSHDSACASA-N 487.588 2.370 10 20 JECD Cc1noc(N)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1817287718 ZGPHFLOIKBOTCV-KRWDZBQOSA-N 476.497 2.387 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2Cc3ccccc3CN2)[nH]n1)c1cc(O)nc(O)c1 1817845469 NBHBUQVPCUYDRX-RTBURBONSA-N 462.510 2.236 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1CCc2nc(NC(=O)c3cc4n(n3)CCC4)sc2C1 1819291585 GHUSOEBUDYVQEH-FLUIGGAXSA-N 481.534 2.342 10 20 JECD C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1823507197 NHBNEESSILBFHV-RDTXWAMCSA-N 478.509 2.340 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cncc(O)c3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1825721965 GRMGCKUZLDZUGX-AWEZNQCLSA-N 476.518 2.262 10 20 JECD Cn1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)n1 1825979830 XOBAINDPKVMDBD-QFIPXVFZSA-N 462.554 2.446 10 20 JECD O=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1)c1ccccc1 1826292067 DDOOMQPLYVADEG-SFHVURJKSA-N 473.620 2.349 10 20 JECD COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)n(C)n1 1827714478 AZPNZBGQRDKRQS-OAQYLSRUSA-N 492.580 2.455 10 20 JECD Cc1ocnc1C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3O)sc2C1 1828197815 LSNVDDVVOKWFKM-QBODLPLBSA-N 456.480 2.496 10 20 JECD Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c(O)c1 1828249026 CZIHUBMYRFSRKJ-LLVKDONJSA-N 476.605 2.243 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccnn3c2)CC1 1830964740 UJFMMDKXHKHHLL-LJQANCHMSA-N 485.635 2.428 10 20 JECD Nc1nc2cc(C(=O)N3CCC(N4CCC(NC(=O)c5cc(O)nc(O)c5)CC4)CC3)ccc2s1 1834986998 QJWUQCNIOUHPGR-UHFFFAOYSA-N 496.593 2.184 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1839434171 RQXJFXUEFPUAJB-QHCPKHFHSA-N 486.912 2.011 10 20 JECD CC(C)=CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881274 LOZNUXMLBJNLMY-UMESLIDUSA-N 460.527 2.019 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)/C=C/c2ccc(Cn3ccnc3)cc2)C1 1841981894 SMPCOIRDYNWCGI-VOTSOKGWSA-N 459.506 2.268 10 20 JECD O=C(C[C@@H]1CNc2ccccc2O1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037936 XFSWBVICPZTAQO-UGAXZCSASA-N 465.506 2.283 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)cc2F)C[C@@H](C)O1 726235330 ZOAVBSHLUHSSNK-ITNZAGEZSA-N 483.544 2.493 10 20 JECD CN(C)S(=O)(=O)c1cccc(C2=N/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)c1 727289897 LPVJHCNUXBXIIX-CPNJWEJPSA-N 459.499 2.257 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(CCC(N)=O)n3C)c2C)cc1 746242148 YRSMLOGKSVZXEK-UHFFFAOYSA-N 455.540 2.402 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C1 917929586 HXDZMFIEGYEPIC-CQSZACIVSA-N 452.920 2.428 10 20 JECD CC(C)NC(=O)CSc1ccccc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918642809 DKHJNENPBSVXPM-UHFFFAOYSA-N 475.636 2.468 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CN3C(=O)[C@@H](C)Oc4ccccc43)cc2F)C[C@@H](C)O1 919048667 LXSIXTIFGIGJPM-FGTMMUONSA-N 499.539 2.413 10 20 JECD CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 919860252 RLQMJMMZMSCMOQ-OAQYLSRUSA-N 494.013 2.026 10 20 JECD C[C@@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 920866206 XTKCNECTZQTFSU-GOSISDBHSA-N 459.568 2.035 10 20 JECD C[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)c1ccc(N2CCOCC2)cc1 920890250 RJAXINONZJLHQL-PGRDOPGGSA-N 473.595 2.472 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnc3c1OCO3)C2)c1cc(O)c(O)c(Cl)c1 1781122310 YZNZILVBVKGDDY-UZUQRXQVSA-N 489.912 2.316 10 20 JECD COc1cccc(CC(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)c1C 1783640405 HQWPTYLIUNUCIB-TTZARTBGSA-N 482.533 2.206 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 1784181579 DYUXMSIGJAJDLM-OREGWCPLSA-N 472.545 2.413 10 20 JECD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1785344256 IDQXEUYKUWWHAO-MWTRTKDXSA-N 497.976 2.498 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cccc(F)c1[N+](=O)[O-])CCO2 1785509772 DGRFZVCOWSPUKG-BVBLWJPBSA-N 487.440 2.008 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)Cc1c(F)cccc1F)CCO2 1785510190 QUVVWGBWSBEHAS-SXBBHYFQSA-N 474.460 2.167 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc(-c2ccc(Cl)cc2)[nH]n1 1789325842 CGBYOWSCLAFQFZ-VHFSOBRXSA-N 497.939 2.443 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c4nccc-4c3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243551 XLQZNELUIYNQJD-AXHNFQJDSA-N 470.913 2.486 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc(F)c3F)C[C@@H]21 1792218151 ROLVMRNABHGLFH-SBTJSFKZSA-N 488.487 2.317 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)c(O)c1 1792221292 LXGVYKVZBKLFID-GAIIMQAISA-N 468.506 2.124 10 20 JECD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)nn1-c1ccccc1F 1796600343 BLEFMJPHSBUEBP-MUJYYYPQSA-N 481.484 2.392 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3[nH]ccc3n1)C2)c1cc(O)c(O)c(Cl)c1 1799769461 NDORYLXGMASFHI-DBWKPXFBSA-N 456.886 2.145 10 20 JECD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@@H]2c2cccnc2)on1 1805708673 PNIDRBVJYBKSCM-FDDCHVKYSA-N 472.505 2.491 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2(Br)CC2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999192 ILOMKGRMSJNMQD-SUMWQHHRSA-N 461.316 2.135 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1ccn(C(F)F)n1 1810908843 OQTUVPBQTIIAQK-UGSOOPFHSA-N 458.425 2.113 10 20 JECD CCN(C)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1 1812316271 ORZIFNAXUQHXGU-UUHKJXNJSA-N 468.554 2.258 10 20 JECD Cc1cnc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)s1 1814185275 ARTSMKFJROAIRR-RHSMWYFYSA-N 475.621 2.026 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(N3CCCC3)ccn1)CC2)c1cc(O)nc(O)c1 1816725849 QCHPABCOHQUSMO-CQSZACIVSA-N 480.550 2.484 10 20 JECD COC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146207 WNWQIRYEKLEBIE-BEFAXECRSA-N 452.515 2.477 10 20 JECD Cc1nc(F)ccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823499864 BXPNDJQHSUUVJU-AWEZNQCLSA-N 476.559 2.418 10 20 JECD CCOc1cnc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)cn1 1827426697 ACMKCOPPFAIXOA-GOSISDBHSA-N 455.515 2.229 10 20 JECD CC(C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1828798794 BERHAOSDFVEKIS-RUZDIDTESA-N 482.537 2.215 10 20 JECD COc1cccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)n1 1832896956 VNAQJAADNZZEEW-GOSISDBHSA-N 490.651 2.113 10 20 JECD Cc1scc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1C 1834540619 KCPSHQARQLEJCK-JIBKAZCMSA-N 488.562 2.265 10 20 JECD CC(C)(C)OC(=O)NCCCC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847037271 ICEQHUHQZDKSTJ-CSKARUKUSA-N 475.542 2.325 10 20 JECD O=C(c1c[nH]c(-c2ccc(F)cc2)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055543 HVCYGSUOBXUNGJ-UHFFFAOYSA-N 472.567 2.498 10 20 JECD CN(C1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1)S(C)(=O)=O 725864487 QDVICMOGPITWGJ-UHFFFAOYSA-N 478.537 2.107 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)cc2F)C[C@@H](C)O1 726277337 MLIOFMWFKVSGIK-HMFYCAOWSA-N 463.598 2.181 10 20 JECD CCCN1Cc2cccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2C1 727615616 NFAMHOLSAIRWHG-FQEVSTJZSA-N 463.582 2.369 10 20 JECD Cc1nc(C(C)(C)NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)no1 729817068 SFEKKFBXKIXJED-UHFFFAOYSA-N 454.510 2.368 10 20 JECD O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)O[C@@H]1CCS(=O)(=O)C1 747347074 ZEQLMDVRKWRHJI-GKWYLQRDSA-N 476.395 2.381 10 20 JECD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 914675586 GOLJMKAICVOINU-UHFFFAOYSA-N 459.568 2.256 10 20 JECD Cc1ccc(C(=O)N2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1F 917065189 CFYQNNVFNWTHNS-UHFFFAOYSA-N 472.536 2.184 10 20 JECD CC(C)CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 918372078 KKSRKNBGVOKJHP-HXUWFJFHSA-N 472.611 2.253 10 20 JECD O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCc1ccc(N2CCSCC2)cc1 918617907 PVOPGDSTRNDXBX-UHFFFAOYSA-N 481.665 2.181 10 20 JECD O=C(NCC1CC1)[C@H]1CCCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 919782079 CMFZLDTXSVTGKX-NRFANRHFSA-N 495.603 2.390 10 20 JECD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)C2=O)cc1 919970898 IIAYZDMKVCJUMQ-RUZDIDTESA-N 468.529 2.179 10 20 JECD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 920195002 LZWQZUKCFJUSGG-UHFFFAOYSA-N 450.539 2.323 10 20 JECD COC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 920786539 BBKYCZVHCNQEBH-IYBDPMFKSA-N 457.502 2.410 10 20 JECD C[C@@H]1CCc2c(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C4)n[nH]c21 1778605226 HWGGRZYDYUIIJS-OKYWXWELSA-N 496.564 2.417 10 20 JECD Cc1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)c(O)c(Cl)c3)C2)cn1 1781121510 ZHVSFWOVCFMSSV-XMSQKQJNSA-N 460.918 2.291 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)Cn2cncn2)CCO3)cc1 1781752946 DMRPMINNMRFOKN-AFMDSPMNSA-N 476.581 2.465 10 20 JECD O=C(CN1CCc2sccc2C1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782004121 TYMPHSMBUUZBRW-QHCPKHFHSA-N 491.997 2.315 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)C2)C1 1782858159 LULROLRBMALKBO-MWTRTKDXSA-N 457.914 2.320 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)ccn3)C[C@@H]21 1792218290 PUDZUXAWMUFMJU-HAMHFSBISA-N 473.913 2.159 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CC(C(F)(F)F)(C1)C2 1793474785 YHYBSVCXPLFLCW-JFMBKZNISA-N 490.482 2.102 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cc(-c2ccccn2)[nH]n1 1798171550 NVATTXVRTRSUTB-VTEUUUEMSA-N 483.912 2.053 10 20 JECD COc1cc(C)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1799452359 VFPHCYJYXPDUAL-OFZGJKQNSA-N 468.506 2.037 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(NC(=O)C2CC2)cc1)c1cc(O)nc(O)c1 1800284807 VBWHJTKPDRITMF-REPLKXPHSA-N 450.495 2.407 10 20 JECD Cc1cc(CCC(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)ccn1 1804302007 RLYPCCDJKPVQID-WMZHIEFXSA-N 497.646 2.284 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc3cccn3cn2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995728 ICMLBBMGRSGQDH-AOMKIAJQSA-N 458.478 2.169 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2cncc(O)c2)[C@@H]1c1cccnc1 1814166223 NZHKLPJKJFPIRN-OUWGLZAPSA-N 476.489 2.332 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1ccns1 1816275949 RBHQVHWSZGJYRK-NSHDSACASA-N 450.571 2.032 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc4ncccc4[nH]3)sc2C1)c1cc(O)nc(O)c1 1823904843 CZNXZQMEUSNWAV-LLVKDONJSA-N 450.480 2.365 10 20 JECD CC(C)(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)c1ccccn1 1840329554 GJYXAFIZEJQFIL-XMMPIXPASA-N 489.956 2.194 10 20 JECD CC[C@@H](C)[C@@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1841632675 SZAJMHKCTGVUNP-DUXKGJEZSA-N 488.629 2.315 10 20 JECD O=C(Cn1ccc2sccc2c1=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847033877 MYXXCRDUPSWWCW-HWKANZROSA-N 481.530 2.097 10 20 JECD CC(C)COC(=O)N1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 726103899 WNJGPOXFNXANBO-HXUWFJFHSA-N 459.591 2.398 10 20 JECD CS(=O)(=O)NCCN1C(=O)/C(=C\c2csc(-c3ccc4c(c3)OCO4)n2)SC1=S 728611153 TZEYNCQUXYGTAP-VGOFMYFVSA-N 469.591 2.289 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 729326922 VFTPXKXTBXAHRW-HXUWFJFHSA-N 494.038 2.406 10 20 JECD C[C@@H](OC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 775933963 KSINQBZHJLSVLC-CYBMUJFWSA-N 478.482 2.293 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)Cc3c(C)nn(-c4nc(C)cc(C)n4)c3C)CC2)cc1 914589965 BILXAZRGDULPSV-UHFFFAOYSA-N 492.580 2.339 10 20 JECD O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 915921635 ALBPUKGZNWZSPI-UHFFFAOYSA-N 490.651 2.260 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)cc2F)C[C@@H](C)O1 917714074 MQBMOVMBZRIMLR-ZMPRRUGASA-N 453.518 2.176 10 20 JECD Cc1nc2ncnn2c(C)c1CCC(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918896541 OPWPAQAFDKVPAP-HZPDHXFCSA-N 498.559 2.286 10 20 JECD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 920036264 FETMCISUUMWJQT-JHEAYKPVSA-N 494.567 2.206 10 20 JECD CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)C2CC2)cc1 920193261 OJKGMQIOEVKCNZ-UHFFFAOYSA-N 470.595 2.117 10 20 JECD COCCN1C(=O)/C(=C\Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)C(=O)NC1=S 920974790 ULWKCQWWKOKXSJ-ATVHPVEESA-N 494.982 2.326 10 20 JECD COCCN1C(=O)/C(=C\N[C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)C(=O)NC1=S 920979343 IGBXELIRRNNVDZ-WOHXKIKESA-N 469.563 2.351 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cc(F)cc(F)c1)C2)c1cc(O)nc(O)c1 1777848032 HVVZJKJIYIAQAB-WZONZLPQSA-N 461.465 2.141 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cnc3[nH]ccc3c1)C2)c1cc(O)nc(O)c1 1777850568 IPHCYMZEIWGDBZ-KBMIEXCESA-N 479.537 2.129 10 20 JECD CCOc1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1780546030 XEQYKHXJDQXEME-SANMLTNESA-N 476.533 2.322 10 20 JECD C[C@@H](Oc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1781374768 FYWRIUONLAQDSZ-NIYFSFCBSA-N 476.533 2.077 10 20 JECD CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781755202 HCYMEICCDOFNJS-UQBPGWFLSA-N 452.555 2.062 10 20 JECD CCOc1c(F)cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)cc1Cl 1781849006 KFSNPXXVNHOMQY-QFIPXVFZSA-N 479.892 2.441 10 20 JECD C[C@@H](Sc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1784415757 IGIVNSMVYVVTPB-IQGLISFBSA-N 493.589 2.185 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCn4ccnn4)C3)C2)cc1 1784532553 KZOBMNYWUXTCDL-VWLOTQADSA-N 462.554 2.219 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(F)(F)F)CCO2 1785508772 LQCKBUIOOKTNJC-YSNSILARSA-N 493.438 2.374 10 20 JECD COc1ccc(F)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1791954833 NACLQLHUTNJBGV-QHVXYVIKSA-N 486.496 2.258 10 20 JECD Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796934981 ZCZJOXDJOKMVMW-RBVVOMGSSA-N 488.470 2.484 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1808001803 XKOVRPFTFGRFFS-OXQOHEQNSA-N 485.541 2.121 10 20 JECD C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1809669243 XAYCNXMMSIHPPO-DFYYWFRZSA-N 460.625 2.384 10 20 JECD CC(C)n1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)n1 1811583692 QNZAGBBRVGSCGJ-JXFKEZNVSA-N 486.623 2.039 10 20 JECD CCC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814165507 GEBIRYOUNDOQBT-LNRZCICUSA-N 496.564 2.222 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc3n[nH]cc3c2)[C@@H]1c1cccnc1 1814189097 LZMGYTONKWYFPU-HRAATJIYSA-N 494.602 2.138 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc3[nH]ccc3n2)[C@@H]1c1cccnc1 1814189766 YBBYQSSPNBGTRB-QVKFZJNVSA-N 494.602 2.138 10 20 JECD CC(C)NC(=O)OC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817847747 WASXELHXASDNDL-HNNXBMFYSA-N 474.518 2.435 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccc2[nH]ncc12 1817870923 DTXSCHVOEVFVMS-INIZCTEOSA-N 483.579 2.452 10 20 JECD C[C@H](Cn1cncn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146744 AUBBWSXTSNJFJT-UZLBHIALSA-N 489.540 2.123 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(-c4ccncc4)[nH]n3)sc2C1)c1cc(O)nc(O)c1 1820588788 JYTAEKWVSHHZFT-CYBMUJFWSA-N 477.506 2.274 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCOCC2)[nH]n1)c1cc(O)c(O)c(Cl)c1 1821293776 PGIDVEULYPYOEU-INIZCTEOSA-N 463.922 2.112 10 20 JECD CN(CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1)C(=O)c1ccccc1 1827423749 FHFQVQHPZNWQPY-OAQYLSRUSA-N 480.565 2.498 10 20 JECD CC(C)(C)[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833287419 CKLGTMVFJSAIJN-HXUWFJFHSA-N 467.994 2.343 10 20 JECD Cc1nc2sccn2c1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834987736 YIBYIIMWJAESPZ-UHFFFAOYSA-N 484.582 2.009 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cnccc3[nH]1)CCO2 1837105171 KRNNCYCIOKGUGC-QHCPKHFHSA-N 486.912 2.011 10 20 JECD Cn1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c(C(F)F)n1 1838031602 UEHSMNXEDIKXPS-UHFFFAOYSA-N 479.484 2.090 10 20 JECD CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)CC1 1841094344 LQXCSNYOLWPMDD-UHFFFAOYSA-N 495.580 2.288 10 20 JECD CCOC(=O)c1c(CCC(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c[nH]c1C 1841456751 MLLBGNSRVWQGEV-RMKNXTFCSA-N 497.548 2.466 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 1845918787 KZHXPRFNAAHQNE-UHFFFAOYSA-N 479.468 2.273 10 20 JECD C[C@@H](C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1)[S@](=O)c1ccccc1 1847039522 YMJNUHYNWWPKBR-GHNVDNAFSA-N 470.547 2.216 10 20 JECD COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)n2)c1 18995817 PLHJLWURUAUNQB-UHFFFAOYSA-N 455.539 2.276 10 20 JECD COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)o1 727178346 VWHRBTPTULRULJ-LFIBNONCSA-N 466.562 2.484 10 20 JECD Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1S(=O)(=O)N(C)C 918438409 ODJJRCFIBBQSQM-UHFFFAOYSA-N 476.624 2.053 10 20 JECD CCc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)cc(C)n1 1777848533 XNIUSFWSNYNINM-NTKDMRAZSA-N 454.527 2.200 10 20 JECD Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)c(F)c1 1783245810 FPRFMKJFJKAQAB-VGOFRKELSA-N 479.599 2.122 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccncc1C(F)(F)F)CCO2 1785505233 DSMFORMOOUIMTP-YSNSILARSA-N 493.438 2.374 10 20 JECD O=C(Cn1cnc2ccccc21)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 1791176309 NLANIHFIMDALJQ-HTZUNMPGSA-N 484.940 2.394 10 20 JECD Cn1c(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc2ccccc21 1792926628 QPVYRHPKFYNPEB-BJWYYQGGSA-N 470.620 2.219 10 20 JECD Cn1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)n1 1795155225 GHYVCWFUSXCREV-XAPVIXHLSA-N 496.612 2.390 10 20 JECD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)cc(C(F)(F)F)n1 1796601498 QLMUWQCDPYOOST-BTTYYORXSA-N 466.416 2.481 10 20 JECD CCOC(=O)c1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)ccn1 1796932931 DQRMUNNNNAJTSD-FNLKRUPLSA-N 489.532 2.303 10 20 JECD Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)o1 1803787447 DYBLDVFUZBVRQO-BEFAXECRSA-N 458.565 2.163 10 20 JECD Cc1nn(C)c(C)c1CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804291072 CHUDHVMGVCATSZ-VYMNDLDVSA-N 454.527 2.048 10 20 JECD Cc1nn[nH]c1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1807808150 RTJRTFVHXIDGDJ-UGSOOPFHSA-N 456.890 2.206 10 20 JECD CC(C)n1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)n1 1811583695 QNZAGBBRVGSCGJ-UZLBHIALSA-N 486.623 2.039 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)n1ccnn1 1812398442 PSRUJAHXMMJYHB-WTANOLMUSA-N 470.917 2.319 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccsc2)[C@H]1c1cccnc1 1814185499 CEOHKYZPCCJVKN-KSSFIOAISA-N 460.606 2.323 10 20 JECD CN(C)c1cccc(OCC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c1 1816722360 YXPOSFORMIMRDP-AWEZNQCLSA-N 483.550 2.320 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1)c1cccnn1 1819719157 MVLSOXCTKIZFKE-MNDMWVCDSA-N 450.455 2.336 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)c1cccc2ccnn12 1821402221 RICUBXZUHOHTQB-HNNXBMFYSA-N 483.579 2.224 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN)CC1 1826810440 WOUPIVBBCGRYLI-FGZHOGPDSA-N 487.645 2.283 10 20 JECD Cn1nc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)c2c1CCC2 1827427204 HUTVFWOOVSTFHE-GOSISDBHSA-N 453.543 2.262 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(CO)on2)CC1 1829819204 GLJHFLQTPMYIHY-XZXOBPBMSA-N 471.510 2.230 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCN2C)CCO3)cc1 1832066653 SAGAAWCZTLJVPE-RPLLCQBOSA-N 480.609 2.258 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cncnc2)CCO3)cc1 1834308173 WGYIXJJKJWEZDT-AREMUKBSSA-N 475.549 2.268 10 20 JECD O=C(COc1ccc(F)cc1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1837694226 KTEZTJURYRAPRW-UHFFFAOYSA-N 473.501 2.323 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3n[nH]c4ccccc34)CC2)CC1 1838029900 OBCZJUMQZGGJPJ-UHFFFAOYSA-N 465.510 2.295 10 20 JECD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)n[nH]1 1838543766 WQCLYTQCQATFHD-HWKANZROSA-N 470.526 2.161 10 20 JECD CCc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)c1Cl 1839434208 VAMNNODFXNBCBU-NRFANRHFSA-N 499.351 2.074 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)C2)C1 1840881221 JBXOBBRQRDQMRC-IJAKBOGNSA-N 486.565 2.099 10 20 JECD CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCCC23CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)C1 1846127916 MCPLGSVKFMDOTP-XSCLSICSSA-N 499.564 2.277 10 20 JECD COCCn1c(C)c(C)c2cc(C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)ccc21 484592967 PYJAEHSLHOLLRU-UHFFFAOYSA-N 468.598 2.481 10 20 JECD COc1ccc(N2CCN(CCNC(=O)Nc3cc(C(=O)N(C)C)ccc3OC)CC2)cc1 743306093 WUCRHPBQVLAZEH-UHFFFAOYSA-N 455.559 2.349 10 20 JECD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 745267605 OHIMZHXUHSTUDP-UHFFFAOYSA-N 472.517 2.465 10 20 JECD CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 746393272 PSOUMFWNBXRHBO-OAQYLSRUSA-N 454.571 2.055 10 20 JECD COc1ccc(-c2noc(CN3CCN(CC(=O)NCc4ccc(N(C)C)cc4)CC3)n2)cc1 841469505 VJXIMDACWHATQQ-UHFFFAOYSA-N 464.570 2.245 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 917832710 FIPBGCBUUPAKMZ-FQEVSTJZSA-N 470.595 2.103 10 20 JECD NC(=O)C1(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCOCC1 918099011 NHKAGBGABNHKGB-KAMYIIQDSA-N 453.611 2.128 10 20 JECD CC(C)NS(=O)(=O)c1cccc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 918211482 CEHBQFFXFRQUCG-UHFFFAOYSA-N 464.563 2.348 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(N4C(=O)CN(C)C4=O)c3)cc2F)C[C@@H](C)O1 918287991 SALLZQABALSRAJ-IYBDPMFKSA-N 497.527 2.093 10 20 JECD COCCOc1cc(NC(=O)C(=O)N2CCCN(c3ccc(OC)cc3)CC2)ccc1OC 918462685 ZZWVUNWFBVMSKC-UHFFFAOYSA-N 457.527 2.406 10 20 JECD O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(F)c1 919728988 AYAYNYMJRNAEDW-UHFFFAOYSA-N 490.492 2.468 10 20 JECD CC(C)CN1C(=O)/C(=C/Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(=O)NC1=S 920980362 KJITZSDNSKJVMN-LFIBNONCSA-N 459.553 2.078 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1ccn(C(F)F)n1 1779761983 SMDXVJLROSHRGZ-FKSJFJBLSA-N 492.479 2.236 10 20 JECD O=C(c1cc2cccnn2c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782009596 WZWXTEMLAWYUHA-QFIPXVFZSA-N 456.886 2.156 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3[nH]ccc3s1)C2 1783248162 MLBLOYCTPGHNLT-IIBYNOLFSA-N 492.648 2.217 10 20 JECD COc1cccc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CCO3)C2)c1C 1784922323 WUELALLSJBRLIQ-AREMUKBSSA-N 476.533 2.240 10 20 JECD Cc1ccc(COCC(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)cc1C 1785505075 AKZALXNYXBSKIC-WZSLKZGSSA-N 496.560 2.480 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)Cc1cccc(F)c1)CCO2 1785508208 AOPLNQORNNZGTM-COIATFDQSA-N 456.470 2.028 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccccc31)CCO2 1785510504 NEIVFJZDBNFWFG-QJQSRUIBSA-N 464.518 2.377 10 20 JECD COc1c(C)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)cc1C 1790183048 POJCXOIINQWQEC-SNRMKQJTSA-N 455.511 2.025 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)c1ccc2c(c1)CCCO2 1791914231 QTDRHEZXEZPBHN-OWNKRJDSSA-N 494.544 2.435 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cc1Cl)C2)C1=NN(c2ccccc2)C(=O)C1 1796480844 WSKKYKHQLPKABJ-XHNJZIHCSA-N 498.942 2.404 10 20 JECD CC(C)(C)OC(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796931186 SFXBXYCBVNIUDX-VBUUOAMHSA-N 454.527 2.149 10 20 JECD COc1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)cc1F 1796932678 QNODQDCZXQOKIG-VBUUOAMHSA-N 465.485 2.274 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccsc1 1805429522 WEPYCUZGZLIKCK-RDTXWAMCSA-N 460.606 2.323 10 20 JECD Cn1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c2cccnc21 1807995922 LCMCGJYURPWALW-KSFYIVLOSA-N 472.505 2.408 10 20 JECD COc1cc(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)c([N+](=O)[O-])cc1O 1810547255 WMNPAYKXJDOLGU-UHFFFAOYSA-N 486.481 2.274 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1811806457 OGVZNQKOQYCEHZ-MUKKUYKPSA-N 489.960 2.173 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](O)CC2)[C@@H]1c1cccnc1 1813192722 MJQROGSJQNOZTM-ZECZEHCASA-N 481.549 2.469 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cn3c(F)cccc3n1)CC2)c1cc(O)nc(O)c1 1816728234 BSYMQUVEOVRHFA-LLVKDONJSA-N 468.470 2.276 10 20 JECD Cc1nccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)CC3)n1 1817749712 ULTNYMCYYPQGQV-LPZVBRGNSA-N 467.507 2.298 10 20 JECD Cc1ccc(S(=O)(=O)CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cc1 1817845103 YXIOWNSOGQFCHU-SFHVURJKSA-N 499.549 2.304 10 20 JECD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817847784 XZHPRJPILBLKOE-UGSOOPFHSA-N 496.499 2.479 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cccc4c3OCC4)sc2C1)c1cc(O)nc(O)c1 1817991495 FGYNDSVAAKGTCB-ZDUSSCGKSA-N 452.492 2.424 10 20 JECD COC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146208 WNWQIRYEKLEBIE-DNVCBOLYSA-N 452.515 2.477 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)c1c[nH]c(=O)cn1 1820247525 AFERISYIHBBJTA-CQSZACIVSA-N 458.862 2.177 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(CO)on3)sc2C1)c1cc(O)c(O)c(Cl)c1 1821704201 RZTOXZAQMUHXNY-SECBINFHSA-N 464.887 2.228 10 20 JECD C[C@@H](Cn1cncn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823476165 SDZHTAPCNLXUBO-LRPCFIKCSA-N 481.513 2.160 10 20 JECD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)CC3)CC2)cn1C 1835209204 HBYRYWGTVOMPBY-GQCTYLIASA-N 482.581 2.349 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1)c1cccc2cc[nH]c12 1835422570 KFFIBGTXYDNULK-UHFFFAOYSA-N 499.662 2.213 10 20 JECD CC(C)(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)[nH]n1 1837991543 SWOJVUABUCCMGG-QHCPKHFHSA-N 492.960 2.156 10 20 JECD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)cc1F 1839432174 FZNKIASTCCTGBE-QHCPKHFHSA-N 494.903 2.283 10 20 JECD O=C(Cc1c[nH]c2ncc(Br)cc12)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843248692 FHKDCCCQSYTUOW-UHFFFAOYSA-N 486.326 2.191 10 20 JECD Cc1n[nH]cc1C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C1 1843331433 XGIGLUMSFIXMNL-HXUWFJFHSA-N 482.585 2.253 10 20 JECD O=C(c1cccnc1OCC1CC1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441168 BQICNHVNHFQGAC-UHFFFAOYSA-N 473.533 2.480 10 20 JECD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)C(F)(F)C1 1845244233 UVFNSONWHGWMMM-OAHLLOKOSA-N 496.511 2.202 10 20 JECD Cc1ccc(-n2ccnn2)c(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1845571192 MWDDIGUYEXGOEW-UHFFFAOYSA-N 483.532 2.186 10 20 JECD O=C1CCc2ccc(C(=O)N3CCCC34CN(C(=O)C3=NN(c5ccccc5)C(=O)C3)C4)cc21 1845622864 FJJKJHTUGWSQSW-UHFFFAOYSA-N 456.502 2.425 10 20 JECD CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C[C@H]2C[C@H]21 1847037993 XSWHVBADKWUZFX-CYRIWFJWSA-N 499.564 2.418 10 20 JECD CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 730011186 SRFQFVQLCNIBKZ-SANMLTNESA-N 478.549 2.253 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CN3C(=O)c4ccc(Br)cc4C3=O)cc2)C1 917833120 MJKQXOYDVXCSON-HNNXBMFYSA-N 499.365 2.063 10 20 JECD COCCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1C 917837669 ZKGSTQDNQCLWPR-SFHVURJKSA-N 456.543 2.066 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc4nc5n(c(=O)c4c3)CCC5)CC2)cc1 918461585 GYLLMEMWPFGNKF-UHFFFAOYSA-N 461.522 2.029 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1 919730510 CDKOLWGTLDKMQP-UHFFFAOYSA-N 467.613 2.032 10 20 JECD COCCN1C(=O)/C(=C\Nc2ccccc2C(=O)Nc2ccc(OC)cc2)C(=O)NC1=S 920979129 XDTGMCDLZDBKTF-LGMDPLHJSA-N 454.508 2.133 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccccn1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126050 DWEZHFSIZUOWMN-YIXXDRMTSA-N 489.576 2.321 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1cc2sccc2[nH]1 1779151814 KNKCQDQZVMNGOX-IIBYNOLFSA-N 492.648 2.217 10 20 JECD CNc1nsnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781119994 KOJNJIOPXZUMSI-JLTOFOAXSA-N 481.962 2.086 10 20 JECD CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1 1781754115 WRENGLIVZCAHDR-FNZWTVRRSA-N 481.597 2.245 10 20 JECD O=C(CCC1CCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1784303139 ZFRKZRJVFKWGSI-VCOUNFBDSA-N 452.555 2.339 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncoc4c3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539825 ZRFIBTTUSIZNQA-LTMIRXACSA-N 487.516 2.214 10 20 JECD CN1CCN(CC(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc(O)c(O)c4O)CCC3)cc2)CC1 1789184764 SDERDCDJKGADIU-ONNFQVAWSA-N 480.565 2.198 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790245204 XCOUTFZHWULKMD-PWDMQXDWSA-N 474.945 2.240 10 20 JECD C[C@@H](Cc1ccncc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1790576228 HNQIGAAYJJUPBF-NHTRMHBPSA-N 489.576 2.033 10 20 JECD O=C(COc1cccc(Cl)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1792747595 BSBZOCODPYDEQK-XHNJZIHCSA-N 496.951 2.101 10 20 JECD Cc1noc(C)c1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1794137678 FGKDKPPQUZQXJI-YVWYUNDQSA-N 463.918 2.192 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NO[C@@H](c3ccccc3)C1)C2)c1cc(O)c(O)c(Cl)c1 1799769358 IFQRRJSKXPMZSX-VAKZPMALSA-N 485.924 2.472 10 20 JECD C[C@H](NC(=O)c1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2 1801262382 OPTZREJYFGYQJE-HNKHHVNMSA-N 472.929 2.217 10 20 JECD COc1cccc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c1 1802079605 MKOZACHFSIDKKX-NOGBEHJMSA-N 480.517 2.128 10 20 JECD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)n1ccnc1 1803313104 NMQGZCORRRVUAY-LREZLTPESA-N 477.521 2.375 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)c1cnccn1 1805435154 FKVWKJPKDOYBAY-VYHZTRRPSA-N 461.478 2.021 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1ccc(-n2cccn2)nc1 1810994414 MALLNZYOVFWXOR-GAJHUEQPSA-N 485.504 2.102 10 20 JECD CSCC[C@H](O)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1814165946 MGTKXWLDKBSLAT-WEOAJZPDSA-N 487.578 2.032 10 20 JECD CC(C)n1cnc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)n1 1817684337 XYHCUFGCYRPGOW-AWEZNQCLSA-N 492.565 2.334 10 20 JECD COc1cnc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)cn1 1818146637 VFAHRNMMYSUMCL-IBGZPJMESA-N 488.508 2.307 10 20 JECD COc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)n[nH]2)nn1C 1818147121 RWBUVHPSMAXRFZ-IBGZPJMESA-N 490.524 2.251 10 20 JECD CC(C)c1nc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)no1 1823496521 JDSRBPOXNDZTFF-CYBMUJFWSA-N 491.599 2.011 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@H]2CCCCN2C(=O)Cc2cncnc2)CC1 1825290794 KORXJNSGRMCDBN-ZEZYUPADSA-N 466.538 2.469 10 20 JECD CCOC(=O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)CC2 1828210193 BQXHGBJGDAKDAD-AWEZNQCLSA-N 497.577 2.437 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnn4)C3)C2)cc1 1839348094 AUGPEHXQTUSYIX-SANMLTNESA-N 475.549 2.268 10 20 JECD CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2 1839348954 VZTPDOGFJSRXOV-RTHIIRHPSA-N 495.576 2.283 10 20 JECD COc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)c(O)c(Cl)c2)CCO3)c1 1839433933 YMQRYGRJOWMJET-QHCPKHFHSA-N 476.913 2.144 10 20 JECD O=C(COc1ccccc1F)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1839970310 PLVDZVXFDBIQQD-HSZRJFAPSA-N 494.903 2.039 10 20 JECD Cc1cc(O)c(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)cc1Br 1843250478 DUALWYAFSKFVLJ-UHFFFAOYSA-N 462.300 2.400 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccc(N3CCCCC3)cc2)C1 1845383445 NTAAIPODNVQSJK-UHFFFAOYSA-N 472.636 2.354 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)[C@H]2CCc3ccccc3O2)C1 1846337341 LZFICYNLBLAZTH-OJLWIZQOSA-N 450.491 2.414 10 20 JECD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1847034224 FPLSMJQLVQWBNR-MUJYHSJXSA-N 472.538 2.390 10 20 JECD O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 105524178 SCBYNQGALCAUOW-RTBURBONSA-N 474.469 2.119 10 20 JECD COC(=O)c1cc(/C=C2/SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)oc1C 726627685 SPZINHVLEQDXBG-OVCLIPMQSA-N 452.535 2.423 10 20 JECD CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)cc1F 731408480 MQMMBUQYDYZCFJ-UHFFFAOYSA-N 483.588 2.243 10 20 JECD CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 748384170 QBEKVEQUMWKCGI-FQEVSTJZSA-N 463.550 2.249 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CN(C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)cc2F)C[C@@H](C)O1 917030289 UALVPLUUBUQMNX-KSZLIROESA-N 492.617 2.396 10 20 JECD NC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3c(O)ccc4oc5c(c34)CCCC5)CC2)o1 917444686 ZGSOZDVQWRFPAO-UHFFFAOYSA-N 459.524 2.216 10 20 JECD COc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc(Cl)c1OCC(N)=O 917709610 SJAVAWSACYEOIC-UHFFFAOYSA-N 451.882 2.118 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NC[C@H]1COCCO1 917814346 RQCVKPMYORWEEI-GRFABLRMSA-N 457.371 2.182 10 20 JECD C[C@H](NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)c1ccc(N2CCOCC2)cc1 920886405 JZVQNZVIOQEKNY-KRWDZBQOSA-N 479.624 2.160 10 20 JECD COc1ccc(S(=O)(=O)N2CCCCC2)cc1N/C=C1\C(=O)NC(=S)N(CC(C)C)C1=O 920977677 HINADWJTHSOAOD-FOWTUZBSSA-N 480.612 2.065 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccn(-c3ccccc3)n1)C2)c1cc(O)nc(O)c1 1777851074 NUESWOFXUZZVKK-CJFMBICVSA-N 477.521 2.120 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 1778189658 DXNGBZDGOMWRRQ-STSQHVNTSA-N 457.914 2.393 10 20 JECD CC(C)n1nccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1779753395 UWQAZKANVHKHOJ-OOSRFHLNSA-N 484.553 2.422 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(F)c(Br)cc3F)C2)C1 1781641362 YQGRVOKLQGKTFF-FQEVSTJZSA-N 498.280 2.291 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4cccnn4)C3)C2)cc1 1784459256 PSNXHKPMBPEKKI-SANMLTNESA-N 475.549 2.407 10 20 JECD CCOc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785509774 DORKOXNBKCJIEC-CFSVISAESA-N 468.506 2.359 10 20 JECD Cc1ccc2c(/C=C/C(=O)N3CC[C@]4(C3)CN(C(=O)c3cc(O)nc(O)c3)CCO4)c[nH]c2c1 1785661294 KCILOXGOPNEWIG-YQVIQHHGSA-N 462.506 2.439 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)C(=O)c1ccccc1 1786342316 IZFZMOOGFYTMDU-QOKNQOGYSA-N 458.898 2.227 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ccoc4cn3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787540199 NKMDHQXYRNFXAF-LTMIRXACSA-N 487.516 2.214 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc2cccc(F)c2s1 1796929883 MBCZWZZCWZRCNA-HBCWATKFSA-N 457.483 2.364 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ncccc12 1797322345 JKQWSSRPTSAIPP-QDMKHBRRSA-N 454.577 2.347 10 20 JECD CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)C1 1797901291 AYZONYIXXXHCOD-SAPPFGIOSA-N 478.521 2.094 10 20 JECD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)nn1C 1798760562 AJZXWUDJZAHLFK-IRJINJETSA-N 477.565 2.353 10 20 JECD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)cc(C)c1C(=O)O 1800861549 UVUCKRQBBUUUAB-MUJYYYPQSA-N 475.592 2.114 10 20 JECD C[C@H](Nc1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804286470 YPOJEDJDXZSXOY-SDKJRITQSA-N 452.511 2.350 10 20 JECD CC(C)NCCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1807329625 RMRKYRJQLCQGSE-OENDTSTASA-N 468.554 2.306 10 20 JECD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807993192 FOKKNKBEMNEQSH-WJPUGNRLSA-N 499.568 2.368 10 20 JECD Cn1cc2cc(C(=O)N3CC[C@H](CNC(=O)c4cc(O)nc(O)c4)[C@@H]3c3cccnc3)ccc2n1 1807998735 FJFGHTYEBGUHSX-HXOBKFHXSA-N 472.505 2.408 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2ccno2)[C@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808464260 KDOXWUKDXHCSQS-JTSKRJEESA-N 458.478 2.182 10 20 JECD COC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1 1808464467 MDBCGHWZNHWFHH-AVRDEDQJSA-N 463.538 2.305 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCN(C(=O)CNC(=N)N)[C@H]2c2cccnc2)cc1 1811265571 ZEQDBQVOOVZJKD-QPPBQGQZSA-N 473.581 2.292 10 20 JECD O=C(NC[C@H]1CCN(C(=O)CCN2CCOCC2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811803416 JEIPXGMGWHBNRY-VGSWGCGISA-N 488.972 2.188 10 20 JECD O=C(Cc1ccc(F)cc1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1813937359 OVBYPQQDKRTLES-CYBMUJFWSA-N 478.596 2.297 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)C1(O)CCC1 1814161077 BHOIFJCWEIIUMH-PJZHBHPDSA-N 481.549 2.469 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)CCN2CCCC2)[C@@H]1c1cccnc1 1814165289 DQHKIPACTSOHEV-NKNFQMRTSA-N 480.565 2.404 10 20 JECD N=C(N)SCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)C2)n[nH]1 1818146662 WMKWLOWRNJMVME-QGZVFWFLSA-N 482.570 2.211 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccn2)CC1 1827224178 FXSSFDBHXRKAHP-GOSISDBHSA-N 460.625 2.104 10 20 JECD CCc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)n[nH]1 1827293971 QIJIBEVJLOUGPL-KRWDZBQOSA-N 463.629 2.066 10 20 JECD CC[C@@H](NC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1827714799 IEGHXCAHCDTOOB-GGAORHGYSA-N 481.597 2.314 10 20 JECD NC(=O)c1nccnc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1829510532 AADZVKGACZMFRT-MRXNPFEDSA-N 487.944 2.187 10 20 JECD Cc1cnn([C@@H](C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)c1 1832190123 OFRLRSHJDXFBRF-FUHWJXTLSA-N 477.656 2.233 10 20 JECD NC(=O)c1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832877053 SOMWJKYWBUHKAR-XSBJJCPUSA-N 494.548 2.244 10 20 JECD COc1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)c1 1838030120 AWLJGIGIEXADST-UHFFFAOYSA-N 455.511 2.427 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=COCC4)C3)C2)cc1 1839349301 NMSVSPDLQZZSTN-SANMLTNESA-N 465.550 2.468 10 20 JECD O=C(Cc1cc(F)ccc1F)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839435189 FFTXVRDPEGFRRK-QHCPKHFHSA-N 496.894 2.342 10 20 JECD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1)c1cccs1 1840375120 NSHLOXFGVBGGQP-IQGLISFBSA-N 496.589 2.101 10 20 JECD CN1CCCC[C@@H]1C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1841363941 XZRQTRYVRKATDX-FGZHOGPDSA-N 499.656 2.392 10 20 JECD O=C(C1=C2c3ccccc3C(=O)N2CC1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442489 NGIKJYILNIFAQC-UHFFFAOYSA-N 495.539 2.254 10 20 JECD CCC1(C(=O)N2CCCC23CN(C(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)OC(C)(C)C)C3)COC1 1845908836 UNFXDEBTIVDTBY-HXUWFJFHSA-N 486.613 2.335 10 20 JECD CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1847085231 ULYGGNWIVGEHAF-HOTGVXAUSA-N 460.531 2.003 10 20 JECD CN1C(=O)c2ccc(S(=O)(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2C1=O 726601892 VBXFXOZBHZJDPF-UHFFFAOYSA-N 465.478 2.461 10 20 JECD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 748468561 YZZNWJFULWBYRA-UHFFFAOYSA-N 468.529 2.462 10 20 JECD CC(C)NC(=O)CN1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 914440051 UTFGFVZYLJNGJP-LGMDPLHJSA-N 480.681 2.398 10 20 JECD Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 917735842 YTRXNGYXQIHANI-UHFFFAOYSA-N 452.963 2.224 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCN(C(=O)c4ccccc4)CC3)cc2)C1 918116766 ACTWYDBONVNGAD-JOCHJYFZSA-N 463.582 2.446 10 20 JECD CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919761433 ARRMAQMAOKRWKX-UHFFFAOYSA-N 498.584 2.123 10 20 JECD O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cc2c(cc1O)OCO2 919761557 JECNSHWVLPIMSK-UHFFFAOYSA-N 451.458 2.307 10 20 JECD COc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919800238 OYGNXWQEOGSADD-UHFFFAOYSA-N 464.501 2.206 10 20 JECD Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 920940065 UQOPEJRAIDAUCB-UHFFFAOYSA-N 471.627 2.303 10 20 JECD CN1CCN(c2ccccc2CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 1115990715 QMSMEAQFJQWHEA-JOCHJYFZSA-N 464.614 2.140 10 20 JECD Cc1ccc(C(=O)NCC(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)s1 1317691046 NPYYWXOCDMFJRB-UHFFFAOYSA-N 489.575 2.267 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccncc1O 1779622382 CCGLQIBHFGLZDC-XMSQKQJNSA-N 461.902 2.293 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)cc1 1781751676 VGFWPMRUGOQPEB-HHHXNRCGSA-N 487.560 2.345 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1782005457 HPLAFVDNIDODDD-QFIPXVFZSA-N 456.886 2.156 10 20 JECD CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)c(F)c1 1782063593 XOKVXNFVHJTUFJ-HSZRJFAPSA-N 459.474 2.176 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccccc1Cl)C2 1783246452 VYEPHOWAIVPWAD-VGOFRKELSA-N 496.054 2.257 10 20 JECD C[C@@H](Cc1ccco1)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1784584729 YTKVZNQJGUMOCE-BVZFJXPGSA-N 464.522 2.081 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(Cl)cncc3Cl)C[C@@H]21)c1cc(O)nc(O)c1 1787292437 QEKWTODVFNANGU-WBIUFABUSA-N 467.309 2.102 10 20 JECD O=C(/C=C/c1ccsc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1794177013 QTDCJAXFWBTACV-VSUZNQAGSA-N 456.520 2.181 10 20 JECD CS(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)nc1 1794749866 VCFQLORIGPRGLJ-BTTYYORXSA-N 479.942 2.115 10 20 JECD N=C(N)SCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1807010278 TWPUJWJRZJTZDF-PXAZEXFGSA-N 463.947 2.092 10 20 JECD CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1 1808774032 PVCVBQRGISGJHN-GZRFBZBPSA-N 472.929 2.087 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1c[nH]c2cnccc12 1810062773 IGGSMYWHVXDGPM-IVZQSRNASA-N 458.478 2.398 10 20 JECD C[C@H](Cc1ccncc1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812336042 DRARSRUZRRSHLI-BVZALQNUSA-N 461.522 2.481 10 20 JECD Cc1cc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)ccc1O 1814190161 RRHOTMPIQVSWJA-UTKZUKDTSA-N 484.603 2.276 10 20 JECD O=C(Cc1cncnc1)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1815970740 NGNIVPIQZPLDJT-HXUWFJFHSA-N 472.509 2.227 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnn(-c3cccnc3)c1)CC2)c1cc(O)nc(O)c1 1816721962 SAMBVJFOKSJNRY-CQSZACIVSA-N 477.506 2.070 10 20 JECD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ncn(-c3ccccc3)n1)CC2)c1cc(O)nc(O)c1 1816726284 UUPNRWLUQXXPJJ-CYBMUJFWSA-N 477.506 2.070 10 20 JECD Cc1nccc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)n1 1828198787 JPVIJEDONKKRGM-LPZVBRGNSA-N 467.507 2.298 10 20 JECD CC(C)N1CCC(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)CC1 1828239742 GJYULJWZKARWEA-AWEZNQCLSA-N 495.696 2.036 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)Cc1ccccc1)CC2 1828242247 GPNSAWDBVLOLNV-CYBMUJFWSA-N 460.606 2.158 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)c2ccn3nccc3c2)CC1 1828730886 URBQKJNOBOUKMV-IBGZPJMESA-N 485.635 2.428 10 20 JECD O=C(C[C@@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896385 GDHBMRGVKOQBSO-ZWKOTPCHSA-N 467.657 2.426 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCC(OC2CCN(C(=O)c3ccc(CO)o3)CC2)CC1 1838110585 ZODJZRWOHSCKBF-UHFFFAOYSA-N 494.548 2.177 10 20 JECD O=C(C1=COCC1)N1CCC(OC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1838111574 DAITXGNNUXIJRB-UHFFFAOYSA-N 466.538 2.082 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)C1 1841876947 YHIHRPALTVQCAB-UHFFFAOYSA-N 479.468 2.273 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)c1cccnc1)C2 1844251592 JVJPPUSPYLOUIA-LJQANCHMSA-N 496.564 2.446 10 20 JECD O=C([C@@H]1Cc2[nH]nc(C(F)(F)F)c2C1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039533 ZYZYTJFRQGOGAZ-LQPUYASZSA-N 492.454 2.177 10 20 JECD CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 10963373 AFXDDQZDNSGHGR-UHFFFAOYSA-N 460.600 2.309 10 20 JECD Cc1ccc(CC(=O)N2CCN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)cc1 726102095 IBAIXFGHQPFTHD-QHCPKHFHSA-N 477.609 2.293 10 20 JECD Cn1c(=O)c2cc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cnc2n(C)c1=O 726695395 DXOMPQNAZFYDAR-UHFFFAOYSA-N 474.468 2.024 10 20 JECD COc1ccc(N2CCC(NC(=O)N3CCCN(S(=O)(=O)c4c(C)noc4C)CC3)CC2)cc1 726714198 VIXOOYVACFGAIS-UHFFFAOYSA-N 491.614 2.375 10 20 JECD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)NCc2ccc(N3CCSCC3)cc2)C1 728949589 SVGIPPBLTUDSMH-LJQANCHMSA-N 462.616 2.183 10 20 JECD CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 743382720 YRZXDGBVWSSDED-UHFFFAOYSA-N 481.597 2.136 10 20 JECD NC(=O)CSc1ccccc1NC(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O 745885093 PSXDEVHIMAJTCG-UHFFFAOYSA-N 489.509 2.417 10 20 JECD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCc1ccc(N(C)C)c(F)c1 746752454 ZESUURBQIALGLP-UHFFFAOYSA-N 466.535 2.243 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)CSc3nnc(O)n3C[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 917184065 AVPGWWOFXLBEFU-INMHGKMJSA-N 479.578 2.324 10 20 JECD COc1cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ccc1OCC(N)=O 918216064 NVCSPEQBNJTHOY-IYBDPMFKSA-N 474.533 2.311 10 20 JECD C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CNC(=O)c3cccc(F)c3)cc2F)C[C@@H](C)O1 918867046 FMJHNJAHBYEZMU-HZPDHXFCSA-N 475.492 2.168 10 20 JECD O=C(COC(=O)CCCn1c(=O)oc2ccccc21)NCc1ccc(N2CCOCC2)c(F)c1 919034213 DEMUYYRKPBLSMA-UHFFFAOYSA-N 471.485 2.210 10 20 JECD Cc1ccc(CNC(=O)NCC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 919697940 OYPHXOVISBEWGQ-UHFFFAOYSA-N 491.571 2.366 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cccc(OCCN4CCOCC4)c3)cc2)C1 920838893 WHZJLBLKGYIRBG-HSZRJFAPSA-N 495.624 2.099 10 20 JECD COCCN1C(=O)/C(=C\Nc2ccc(Br)cc2Br)C(=O)NC1=S 920976730 QVIJTBYTYVCCFP-CLFYSBASSA-N 463.151 2.397 10 20 JECD CN1CCN(c2ccc(CNc3ccc(S(=O)(=O)N4CCC[C@H]4CO)cc3)cc2F)CC1 1334276043 GLAPVGSOEWGAQE-FQEVSTJZSA-N 462.591 2.335 10 20 JECD COc1ccc2oc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)nc(O)c5)CCO4)C3)cc2c1 1778421466 UKNTYTOCSKSTHI-QHCPKHFHSA-N 453.451 2.005 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1782843208 ASXFSAYHBFAOKQ-MBSDFSHPSA-N 457.914 2.232 10 20 JECD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)cc(C)c1O 1784996972 BYVOVORPNSAPCU-BFHGXFJZSA-N 468.506 2.283 10 20 JECD Cc1oc(C(C)(C)C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785537786 JZWXPWSYIQFUIK-QFIPXVFZSA-N 479.624 2.189 10 20 JECD CC(C)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1785544809 BFDUETULVXUVRJ-QFIPXVFZSA-N 461.609 2.114 10 20 JECD CN(C)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1795872752 SGMQDUNPXYNIIU-CIAFKFPVSA-N 487.645 2.295 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1cccc(OC2CCOCC2)n1 1796601450 KAMZLGKPTGLENC-BJWYYQGGSA-N 468.510 2.011 10 20 JECD O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796602385 CREHSPSMAJQQOP-QDMKHBRRSA-N 458.496 2.445 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncsc1Br 1796949237 GCWLOAUCGUVXPO-ILWJIGKKSA-N 489.442 2.018 10 20 JECD O=C(/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2)NCc1ccco1 1798571491 IASOWNWESVWKTE-MSFXKQMLSA-N 473.913 2.469 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccccn3)[nH]n1)C2)c1cc(O)c(O)c(Cl)c1 1799769523 VLHBNZATMXYYEP-VTEUUUEMSA-N 483.912 2.053 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1[nH]nc2c(Cl)cccc12 1799847424 ORDQAYWWZKHTKH-CLLJXQQHSA-N 492.026 2.257 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(F)cc1F 1801823438 BOISYJVQILEESR-QDMKHBRRSA-N 453.536 2.006 10 20 JECD O=C(COc1cccnc1)N1CCCC2(CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)C1 1806837697 UKXASOJUYZIQOX-UHFFFAOYSA-N 475.549 2.485 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)ccc2F)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807998282 CVBMAHSLSPIPGO-SPLOXXLWSA-N 452.442 2.366 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cn2cnc3ccccc32)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807999129 RLKPPMPCSCUVNM-MZNJEOGPSA-N 472.505 2.257 10 20 JECD Cc1c(C(=O)N2CCCC3(CCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)CC3)C2)cnn1C 1808654908 MOQVQSXUBIRHJF-UHFFFAOYSA-N 462.554 2.366 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1ccc(CO)o1 1810835207 WTOKQXVKQUOBLF-ISKYRRHISA-N 479.489 2.317 10 20 JECD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1)n1cncn1 1811810534 UGHRBSQUQGCZQC-FRIZHTMISA-N 470.917 2.319 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2n[nH]c3ccccc23)[C@H]1c1cccnc1 1814189088 LWIRNBYEPARFCX-BTYIYWSLSA-N 494.602 2.138 10 20 JECD COc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)cc1 1816722010 AEHIWBUTTNOECD-AWEZNQCLSA-N 454.508 2.426 10 20 JECD CC[C@H](C)[C@@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362796 VZEOWANKGNBIGI-PJSUUKDQSA-N 468.583 2.221 10 20 JECD O=C(N[C@@H]1CCc2nc(NC(=O)c3cccc4c3OCCO4)sc2C1)c1cc(O)nc(O)c1 1818314371 VEAAKLSHRUTKFZ-GFCCVEGCSA-N 468.491 2.260 10 20 JECD C[C@H](Cn1cncn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1819539743 HEQVOHLRHLMSBC-UZLBHIALSA-N 489.540 2.123 10 20 JECD CC(=O)N[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1)C(C)(C)C 1824361769 YEWWJEMHFSPSMX-RXVVDRJESA-N 460.575 2.277 10 20 JECD O=C(c1cnc2snnc2c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827428161 KJRMRROLOPRABZ-KRWDZBQOSA-N 468.539 2.440 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc4nccnc4c3)CC2)CC1 1838031645 ZVXNWGSPLODGKB-UHFFFAOYSA-N 477.521 2.362 10 20 JECD Cc1nc[nH]c1C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1 1838146026 OUFGKVBBLZNKCH-HWKANZROSA-N 470.526 2.161 10 20 JECD CC(C)(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)cc1 1839342575 GTJYRNOGDHCAAM-RUZDIDTESA-N 485.537 2.054 10 20 JECD COc1cc(/C=C/C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)cc(OC)c1OC 1843250788 PHDZQPXPWMBXOV-AATRIKPKSA-N 469.494 2.049 10 20 JECD Cn1ccc2c(O)ncc(C(=O)N3CC4(CCCN4C(=O)c4cc(O)c(O)c(Cl)c4)C3)c21 1845501607 HFWJPRKLKTWZHB-UHFFFAOYSA-N 456.886 2.474 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCN2C(=O)C=CC2=O)cc1 1847949568 ALHIULXFMOJOTP-VXKWHMMOSA-N 460.534 2.225 10 20 JECD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2nc(Cl)ccc2F)=NN1c1ccccc1 1848284128 CSOSIJWXLWXXPQ-IRXDYDNUSA-N 455.877 2.482 10 20 JECD COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CCCN3S(C)(=O)=O)c2C)cc1 18360658 JZWZFKYRMCNUHN-IBGZPJMESA-N 462.524 2.031 10 20 JECD CCNc1nc(NCC)n2c(SCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)nnc2n1 109221122 RHMSDBMDEMKAPG-UHFFFAOYSA-N 476.010 2.477 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3nc(-c4ccc(F)cc4)n[nH]3)cc2)C1 729877721 CDGPTWHOMLPFFK-QGZVFWFLSA-N 451.506 2.312 10 20 JECD CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 875929784 UYYYVPLQMFKKMO-UHFFFAOYSA-N 481.640 2.374 10 20 JECD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)cc1 917832360 UPYOLWLWWMLXSS-QFIPXVFZSA-N 498.649 2.414 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)cc2)C1 917834927 UNWMNLCWWYNUQL-LJQANCHMSA-N 488.585 2.242 10 20 JECD COC(=O)c1ccc(CN(C)C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 920254692 NCBBQFSAIIDPSK-OUKQBFOZSA-N 451.523 2.345 10 20 JECD CCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1OC 920940317 ZKPQUEQPRUXOBJ-QGZVFWFLSA-N 489.598 2.480 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc2cc(O)ccc2n1 1778509658 WLWOTKOEUBBKIY-CJFMBICVSA-N 478.505 2.188 10 20 JECD O=C(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2)Nc1ccc(F)cc1 1780878089 CXCMJFXIKYJEGM-HSZRJFAPSA-N 491.903 2.363 10 20 JECD O=C(CC12CCCN1CCC2)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1781135370 XDSAHRDYOBKASZ-HSZRJFAPSA-N 463.962 2.213 10 20 JECD O=C(Cc1cc(F)cc(F)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1787080198 RJJOUUWMEMJLOP-JKJQVWLGSA-N 488.487 2.317 10 20 JECD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4c(F)cccc4n3)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790246340 ZFTDYIITEYUOAG-YEWDVWPNSA-N 488.903 2.445 10 20 JECD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1 1795260057 XYSMJYZDPBIOIS-VPTLXERWSA-N 460.914 2.206 10 20 JECD CC1(C)CCc2cccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)nc(O)c3)c2O1 1796137700 DQRPECZVGQVIAZ-UPHUGPLXSA-N 467.522 2.113 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(F)(F)F)CCC1)C2)C1=NN(c2ccccc2)C(=O)C1 1796481350 SXLXAFLXFPXLGZ-CCWDJLKJSA-N 478.471 2.102 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(F)(F)F)C2 1802080976 FMSUCDAXJNSKKP-IEEJQYOHSA-N 493.438 2.134 10 20 JECD Cc1[nH]nc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)c1F 1805119028 PLMTWSSHCKXEAX-SBUREZEXSA-N 489.511 2.365 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)c1ccc(O)cn1 1806105061 FBLBASCZSJFATI-UUOWRZLLSA-N 484.516 2.295 10 20 JECD CCOc1ncccc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807992681 PXDQLEZGCCZHQF-IERDGZPVSA-N 463.494 2.315 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(Cl)cnc2O)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807993322 WMMPELBDSKTFQK-BFUOFWGJSA-N 469.885 2.275 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)c1cnnc2ccccc12 1809134321 ZAXAHYADIBOEPB-QMHKHESXSA-N 470.489 2.464 10 20 JECD Cn1cc(C(=O)N2CCC3(CCCN(C(=O)c4cc(O)nc(O)c4)C3)CC2)c(C(F)(F)F)n1 1810546465 GKKNDGLXDASSCV-UHFFFAOYSA-N 467.448 2.404 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@H]1CCN(C(=O)c2ccc(=O)oc2)[C@@H]1c1cccnc1 1814162599 NEPZEOQEFGQDRQ-LTETZXIYSA-N 477.473 2.185 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc(F)s2)[C@H]1c1cccnc1 1814184729 DUKPDRMIBKLZAH-ACJLOTCBSA-N 478.596 2.462 10 20 JECD COc1ccccc1CC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814189409 GWOVMAXDWXFGTD-WZONZLPQSA-N 498.630 2.199 10 20 JECD Cn1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(O)nc(O)c4)sc3C2)c(C(F)(F)F)n1 1816726416 VYCLBWPPTFJQLC-SECBINFHSA-N 482.444 2.241 10 20 JECD O=C(CN1CCCC1=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1 1817160727 NQKDIRMOZCZWJK-OAHLLOKOSA-N 461.906 2.403 10 20 JECD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1)n1ccnn1 1823712594 PWOZSUARDPWULJ-ONGXEEELSA-N 462.919 2.286 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCC(F)(F)C1)CC2 1828243729 UFVQZRCWNITXRS-UWVGGRQHSA-N 474.580 2.351 10 20 JECD CC(C)(C)c1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)[nH]n1 1828244620 LPKPCPVHLIIECY-SNVBAGLBSA-N 492.652 2.250 10 20 JECD CC(=O)C[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900854 YGPSQHBUEKWYES-RHSMWYFYSA-N 453.630 2.082 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/C1CCCCC1)CCO2 1839184013 NEGPOXSTUDPFDL-PZNBEYCOSA-N 486.565 2.410 10 20 JECD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2nnc(-c3ccccc3)o2)C1 1844304463 GUYYMIZHAQZRJT-UHFFFAOYSA-N 470.489 2.347 10 20 JECD COc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1OC 1845423327 BXBKHEINPJUPLS-UHFFFAOYSA-N 480.496 2.453 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2n[nH]c3cccc(F)c23)C1 1845694594 YIIVCUBYDGENEK-SOFGYWHQSA-N 452.442 2.349 10 20 JECD O=C(c1cc(Cl)nc2n[nH]cc12)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039166 UKVWTVOVTYPWJF-HWKANZROSA-N 469.885 2.259 10 20 JECD Cc1cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 24853574 IMALLNUCNHYDBT-UHFFFAOYSA-N 484.563 2.398 10 20 JECD CC(C)N1CCN(c2ccc(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cc2)CC1 749172658 PJWAIHACDWYJQD-UHFFFAOYSA-N 470.639 2.382 10 20 JECD O=C(COC(=O)c1cccc(CN2C(=O)CNC2=O)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 825411412 KKBWNFTZJIWLAX-UHFFFAOYSA-N 497.463 2.309 10 20 JECD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCc2ccc(N3CCCC3)cc2)cc1 915082652 ODIGFRFDQDGLFF-UHFFFAOYSA-N 472.611 2.364 10 20 JECD C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918643334 KPOZKAJJMLBXDZ-MRXNPFEDSA-N 479.599 2.437 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)nc12 918991548 VXHNETTZIVJQLP-UHFFFAOYSA-N 470.526 2.378 10 20 JECD COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)c3ccn(C)c(=O)c3)c2C)c1 919267724 GRDHIKUEWSNPCW-UHFFFAOYSA-N 480.473 2.406 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccn2ccnc12 1779060600 VIEUYVOTLVRDCJ-NLNATVMFSA-N 492.532 2.292 10 20 JECD O=C(CCc1ccc(F)cc1)N1CC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1783596767 KVURGTWYTJVVPF-SANMLTNESA-N 478.524 2.381 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)C1=NO[C@@H](c3ccccc3)C1)CCO2 1785505750 OJNSBBKMYGAEPE-SNTDARCBSA-N 493.516 2.164 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cc(F)cnc1Cl)CCO2 1785506693 FFZBDFXYEIECIH-WYAMSBGYSA-N 477.876 2.148 10 20 JECD C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796604441 HAULLTIUBRHSOZ-QLIIJSOBSA-N 482.537 2.307 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807990879 CFYYCGIUDNHPKM-DKICVRJWSA-N 485.541 2.121 10 20 JECD COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)cc1 1807990881 KMZNSCLRFOCEQZ-UUOWRZLLSA-N 462.506 2.459 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2ccc(-n3cnnc3)cc2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807992586 CXJBOVIJDACCND-JPYJTQIMSA-N 485.504 2.102 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)CN2CCCCC2)[C@@H]1c1cccnc1)C1=NN(c2ccccc2)C(=O)C1 1808468485 REZZOCYRXNRRQE-HFZDXXHNSA-N 488.592 2.366 10 20 JECD O=C(NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@@H]1c1cccnc1)c1cncc(O)c1 1812914954 PKRVDBNHEMYDAJ-OUWGLZAPSA-N 476.489 2.332 10 20 JECD O=C1CCc2ccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cc(O)nc(O)c4)[nH]n3)nc2N1 1817810667 RPKVAVBNHKOHOT-MRXNPFEDSA-N 477.481 2.115 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccc4ncoc4c3)sc2C1 1818535041 VHVSCPCNMBAVLF-LLVKDONJSA-N 487.588 2.370 10 20 JECD Cn1ccc(=O)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2O)n[nH]1 1823475629 FDOCGERJDKUGKE-JKNJVXJCSA-N 479.493 2.245 10 20 JECD Cc1ncsc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823496252 IZPKTYFVMPKTEB-LBPRGKRZSA-N 464.598 2.341 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@]2(F)Cl)[nH]n1 1823499439 GXOBKGKJEPEBFN-MIHTYCSTSA-N 459.956 2.187 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)sc2C1)c1cc(O)nc(O)c1 1823876153 QXWVUHVSWRXODO-JTQLQIEISA-N 495.477 2.273 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)C2CCC(CO)CC2)CC1 1824994419 UWFBFBNTSQOIDP-NKELODKYSA-N 481.684 2.265 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)CC1)c1cc(O)nc(O)c1 1834988155 HBYWNLTZDFKABV-VXKWHMMOSA-N 464.566 2.482 10 20 JECD CCc1noc(C)c1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838029908 PCZRRVJUGFFYJR-UHFFFAOYSA-N 458.515 2.278 10 20 JECD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1839348729 ITUYRQRVUGUNQB-ZBLYBZFDSA-N 496.608 2.079 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)/C=C/c2ccc(F)cc2F)C1 1841797631 UVYGSIQRBJZFBC-HWKANZROSA-N 451.520 2.042 10 20 JECD CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCC12CN(C(=O)c1ccccn1)C2 1844251615 LNVYVVNOYZKZDX-LJQANCHMSA-N 496.564 2.446 10 20 JECD COc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/c2ccc(O)c(O)c2O)n1 1848169413 XBHUYWUJBTYQME-TYKASLFTSA-N 453.495 2.055 10 20 JECD C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4cc(NS(C)(=O)=O)ccc4O)CC3)cc2NC1=O 727487130 BVRAFPYQWBYPAT-ZDUSSCGKSA-N 487.534 2.218 10 20 JECD C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)cc2)C[C@H](C)O1 747011616 DEEVEIQQJJARTF-HOTGVXAUSA-N 456.518 2.396 10 20 JECD CCOc1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1S(=O)(=O)N1CCCCC1 748485541 JWQHGHVZCBNHET-UHFFFAOYSA-N 461.540 2.220 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CCn3cnc4sc(C)c(C)c4c3=O)CC2)cc1 818180330 LDLMAVSPIJZPNE-UHFFFAOYSA-N 484.578 2.366 10 20 JECD Cc1cc(C(=O)COC(=O)Cn2ccc(=O)n(C)c2=O)c(C)n1-c1ccc(Br)cc1 915394688 PFTIUNYRQBJQIX-UHFFFAOYSA-N 474.311 2.143 10 20 JECD CCOc1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c([N+](=O)[O-])cc1OC 916676840 VYLVBJHISJGKOY-UHFFFAOYSA-N 463.512 2.167 10 20 JECD COc1cccc(/C=C(/C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n2nnnc2C)c1 917834008 GGMFERDRJBITHZ-FVHJOOJJSA-N 475.553 2.006 10 20 JECD Cn1cc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 920555013 XWEVSGIKAZJQBV-UHFFFAOYSA-N 497.483 2.444 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)C1 1778077504 HLXKGMWRMJLTCF-OAQYLSRUSA-N 494.038 2.062 10 20 JECD CCOc1ccc(Cl)cc1C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1781747693 FTUXLNUSRUIWCQ-NRFANRHFSA-N 498.026 2.043 10 20 JECD O=C(c1ccc(O)c(F)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007640 JBVPMGIHNWZGIR-OAQYLSRUSA-N 450.850 2.353 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=CCCS1)C2 1783218721 ZERGJKPIPODGLT-WZMUZEJKSA-N 460.552 2.351 10 20 JECD CCOc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)c1 1785509775 DORKOXNBKCJIEC-PMDNVAFQSA-N 468.506 2.359 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1ccccc1C(F)(F)F)CCO2 1785544914 CYJQEOUUIQAROO-LJQANCHMSA-N 487.525 2.009 10 20 JECD COc1cccc(OC)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1789476430 VRDDNFSILZSENJ-UERRGCGHSA-N 498.532 2.127 10 20 JECD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/c4ccc(O)c(O)c4O)[C@H]3C2)cc(C)c1O 1792221163 IWVJALKQQDRIEO-DRQHBJNOSA-N 482.533 2.433 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)[C@@H]1CCC[C@H]2CCCC[C@@H]21 1797265349 ZUZHZFMWGPUCCL-IGYPPAOUSA-N 479.668 2.043 10 20 JECD CSc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)cc1 1801177050 AOQPNAVKELVQDL-HBNMSFMJSA-N 492.601 2.334 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Cl)cc1)C2 1802081326 PXSMLLXRWAFKPR-JMJLSGOLSA-N 472.925 2.302 10 20 JECD C[C@H](C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)C1(O)CCC1 1802470558 YKJKDXOZZMHBDR-PJZHBHPDSA-N 481.549 2.469 10 20 JECD C[C@H](NNc1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1802516268 GZYBCHCNVCPENG-CEXJFXJFSA-N 476.537 2.213 10 20 JECD CCc1cc(C(=O)NC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2c2cccnc2)n[nH]1 1807767491 PBCDQIMHCMRFIF-UUOWRZLLSA-N 485.548 2.480 10 20 JECD Cn1cc2cc(C(=O)N3CC[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3c3cccnc3)ccc2n1 1807998733 FJFGHTYEBGUHSX-GAJHUEQPSA-N 472.505 2.408 10 20 JECD CCc1noc(C)c1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1810940847 QQCLBLLFNJARJZ-YCRPNKLZSA-N 451.483 2.380 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc(Cl)cc2nn[nH]c12 1811436051 LUJZJRBIWGHHDU-ZSEKCTLFSA-N 493.911 2.446 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)c1cc2cccnc2nc1O 1812111427 PJQCYHVDGJEBAR-KKSFZXQISA-N 486.488 2.170 10 20 JECD O=C(COc1ccc(O)cc1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1814688494 ANOUSIGSHICPMU-KRWDZBQOSA-N 453.455 2.306 10 20 JECD Cc1nc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)ccc1F 1816145937 FHMSHTHWDUQFMY-OAHLLOKOSA-N 476.559 2.418 10 20 JECD C[C@@H](Nc1cccnc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1817323143 LYGKUFFBWHXWIL-CXAGYDPISA-N 451.487 2.417 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2)n1cncn1 1826797969 LQGUMRBDVBHAGN-KOLCDFICSA-N 462.919 2.286 10 20 JECD O=C1Nc2c(cccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc(O)c3)CC2)C1=O 1827428565 WLTAAQQIDIUGPZ-GOSISDBHSA-N 478.505 2.175 10 20 JECD Cc1nnc(CC(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4ccc(O)c(O)c4O)sc3C2)s1 1828199491 VZQVQCQTPOIUGD-QBODLPLBSA-N 487.563 2.288 10 20 JECD COc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN4C(=O)CSC4=S)sc3C2)c(F)c1 1828247559 YMYZBMFCCWLBRH-JTQLQIEISA-N 494.595 2.377 10 20 JECD CC(=O)NC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1836878741 FOTYNTWUIKAXML-UHFFFAOYSA-N 481.977 2.278 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)c3ccc4cccnc4n3)CC2)CC1 1838031563 PCDCKCVESKWLGZ-UHFFFAOYSA-N 477.521 2.362 10 20 JECD CC1(C)CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)C1 1839433394 UJALATNQBZIFEK-JOCHJYFZSA-N 452.935 2.257 10 20 JECD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 24192704 PFUUFHPOEFAVOA-LJQANCHMSA-N 451.523 2.306 10 20 JECD COC(=O)N(C)c1ccccc1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 746583343 JMVZNWFFCUIBJX-UHFFFAOYSA-N 459.474 2.338 10 20 JECD COc1ccc(N2CCN(C(=O)COC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 787810618 BBZYUYJGOKRPTL-UHFFFAOYSA-N 480.970 2.404 10 20 JECD COc1ccc(Cn2nccc2N/C=C2/C(=O)NC(=S)N(CC(C)C)C2=O)c(OC)c1OC 814316385 LNVICIUHRIMDTN-GDNBJRDFSA-N 473.555 2.152 10 20 JECD CCOC(=O)[C@@H]1CSCCN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 844144742 WFRZNYXGERTQDX-INIZCTEOSA-N 454.460 2.491 10 20 JECD O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NCCN1CCOCC1 864674239 WKLRKQJIGMJTHX-PTNGSMBKSA-N 470.414 2.099 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NCCc3nnc4n3CCCCC4)CC2)cc1 916196665 CPAASQOWIHGOTM-UHFFFAOYSA-N 455.607 2.067 10 20 JECD COc1ccc(N2CCN(CCCNC(=O)NC[C@H](c3ccc(C)o3)N3CCOCC3)CC2)cc1 916198960 SKWVHKMFCOAXMD-XMMPIXPASA-N 485.629 2.481 10 20 JECD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 917833142 MHQORFRACOCKSP-FQEVSTJZSA-N 472.611 2.349 10 20 JECD CN1CCN(Cc2ccc(CNC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)CC1 918204812 BYZDRPGKTMMILS-UHFFFAOYSA-N 455.578 2.409 10 20 JECD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 918309042 STVLDIITIXCIBV-UHFFFAOYSA-N 466.538 2.177 10 20 JECD CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918334580 INIJTQGEGGDULU-OAQYLSRUSA-N 475.636 2.089 10 20 JECD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(Oc4cnccn4)c3)cc2)C1 918466067 YEVKYWDBFRADAN-GOSISDBHSA-N 474.521 2.226 10 20 JECD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CCCCN3C(=O)c3cccs3)nc12 919055751 XAMWIVMXSQJFKC-OAHLLOKOSA-N 458.496 2.411 10 20 JECD CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1 920482461 PORDKGQJGUOGQI-UHFFFAOYSA-N 450.535 2.182 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1S(=O)(=O)N1CCCCC1 920738450 FKOUBFGVWCRIHM-UHFFFAOYSA-N 491.635 2.026 10 20 JECD CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2)CC1 920923802 WHPGBFVXEKXJMO-OAQYLSRUSA-N 479.625 2.477 10 20 JECD COCCN1C(=O)/C(=C/Nc2ccccc2C(=O)NCc2ccc(C)cc2)C(=O)NC1=S 920978860 KSRCIEMZNOESCD-NBVRZTHBSA-N 452.536 2.111 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnoc1C1CC1)C2)C1=NN(c2ccccc2)C(=O)C1 1778126006 BEJJVHZEWJVPNU-QFQXNSOFSA-N 491.548 2.472 10 20 JECD CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)C1 1778956114 LOVSOIAKWUAZGN-IBVKSMDESA-N 481.597 2.245 10 20 JECD Cc1n[nH]c(C)c1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781122127 ONRQVUVOCPCJMK-AUSIDOKSSA-N 476.961 2.461 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)cc1 1781750771 JRVRQKZYYGMEOF-AREMUKBSSA-N 476.533 2.250 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2nc[nH]c2[N+](=O)[O-])CCO3)cc1 1781752798 AQGJDMRNJNXAEF-XMMPIXPASA-N 478.509 2.483 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)[C@H]1CCc2ccccc2C1 1781940088 BVAMLZZUSBSJMO-JDRJUVJTSA-N 465.550 2.425 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(F)n1)C2 1783221843 NASLTOIMIXUEOX-KLTBXSLDSA-N 471.485 2.178 10 20 JECD O=C(/C=C/c1ccc(Br)s1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1784422688 JNVMJYHZGZQPGX-WLMDGNKMSA-N 494.367 2.474 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccoc3Cl)C[C@@H]21 1792217683 HGWJGDLYQDEVDZ-WCQKHNBBSA-N 462.886 2.357 10 20 JECD CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796602712 UXNWUYXQDWKLLK-GOOFNZECSA-N 472.542 2.144 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(Cl)c1)C2)c1cc(O)c(O)c(Cl)c1 1799767599 ZOTSCOGNDWKVPY-FVCICTRLSA-N 452.294 2.317 10 20 JECD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Br)nc1)c1cc(O)nc(O)c1 1799788174 LHPIVOFASQTQEL-QDMKHBRRSA-N 461.316 2.145 10 20 JECD C[C@H](Cn1cccn1)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1 1804716772 RHWPGPPUFOJDBU-QVNIBDNGSA-N 499.575 2.413 10 20 JECD CO[C@@H](C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccccc1 1806450040 YLSBDVIZPZCQNQ-STZQEDGTSA-N 498.630 2.335 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1)[C@H]1CNc2ccccc21 1807173926 BLERCLCKIWMZCQ-BTCOZLQPSA-N 459.506 2.417 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(C(F)F)no2)[C@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995064 WZMLVHKQFJRSKE-XIKOKIGWSA-N 459.409 2.447 10 20 JECD CN(C)C(=O)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)c1 1808001028 KWMOXCBVLWXSPE-XXBNENTESA-N 489.532 2.223 10 20 JECD O=C(NC[C@H]1CCN(C(=O)Cc2ncccn2)[C@H]1c1cccnc1)c1cc(O)c(O)c(Cl)c1 1811799658 XZRRGLCFKIETKN-VFNWGFHPSA-N 467.913 2.499 10 20 JECD Cc1ncc(CC(=O)NC[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)s1 1813373338 DXWCDLTVXGWPBL-QVKFZJNVSA-N 453.524 2.215 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)CCC(F)(F)F)[C@H]1c1cccnc1 1814185845 GRHYGGZKUQLKBZ-GUYCJALGSA-N 474.530 2.290 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2[nH]cc3c2CCC3)[C@@H]1c1cccnc1 1814190151 ROLTUTFQWGASNG-HRAATJIYSA-N 483.619 2.078 10 20 JECD C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728773 VAYOVTPEXAWSCH-WCQYABFASA-N 455.496 2.038 10 20 JECD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816729962 XHNANGZNENHFRS-LBPRGKRZSA-N 498.521 2.463 10 20 JECD O=C(Cc1cccnc1)N[C@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362882 XRUVQQPLJMVVBT-INIZCTEOSA-N 474.546 2.486 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)c3cnoc3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1817449540 UEFLSWRTDIFZSY-ZDUSSCGKSA-N 450.480 2.150 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)COc2ccc(O)cc2)[nH]n1)c1cc(O)nc(O)c1 1817843464 PFYBFPLDACAMKP-QGZVFWFLSA-N 453.455 2.306 10 20 JECD O=C1C[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CCN1 1822482184 DDJPZCGHWGKHNZ-ABAIWWIYSA-N 461.906 2.306 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)nc2F)[nH]n1 1823496789 PAJHSVRNFOGPNE-LBPRGKRZSA-N 480.522 2.249 10 20 JECD Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)cn1 1823497396 YHEQNKUWSHZAFP-HNNXBMFYSA-N 458.569 2.279 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(=O)n2O)CC1 1825497558 VXJLKLPNTCASAB-LNENJAERSA-N 483.521 2.149 10 20 JECD Cn1cncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)CC1 1826035323 FVQBOKWRRRGFEM-OAQYLSRUSA-N 462.554 2.446 10 20 JECD N=C(N)SCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1826788350 KNLDPBGSGDQZCD-BIENSFFJSA-N 462.572 2.063 10 20 JECD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2)n1cncn1 1826797971 LQGUMRBDVBHAGN-MWLCHTKSSA-N 462.919 2.286 10 20 JECD O=C1COc2ccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)cc2N1 1828628364 HZIZXWLDWCWZRR-IBGZPJMESA-N 480.521 2.371 10 20 JECD O=C(Cn1ccncc1=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1 1830740483 OZPLIPCRDKABII-SFHVURJKSA-N 474.945 2.241 10 20 JECD O=C(c1ncc(F)cc1F)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832896292 CASWLNLCYUJLEY-MRXNPFEDSA-N 482.578 2.453 10 20 JECD O=C(c1ccc2ccnn2c1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832899459 IQUSMHFNRBIETE-LJQANCHMSA-N 485.635 2.428 10 20 JECD CCc1nc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)co1 1832901134 ODAPWFLSQBVXIG-MRXNPFEDSA-N 464.613 2.331 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cc(=O)c2ccccc2o1 1833206477 VBLXXCJQCNUQJA-UHFFFAOYSA-N 492.532 2.098 10 20 JECD CC[C@H](C)[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1833498964 JKRIIUBWCSJRRY-VBKZILBWSA-N 467.994 2.343 10 20 JECD CCc1oncc1C(=O)N1CCC(N2CCC(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CC2)CC1 1835132887 XXKYSXLBJJNFJV-UHFFFAOYSA-N 492.580 2.215 10 20 JECD CC[S@](=O)CCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 1835656624 LNUUGQUIKIASSR-YTTGMZPUSA-N 486.034 2.095 10 20 JECD Cn1cnc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)CC2)c1 1837550878 CHPSFSRQUFYJEA-UHFFFAOYSA-N 462.934 2.411 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3cccc(Cl)c3c1)CCO2 1839604716 FRZPZOOLVCBBTG-DEOSSOPVSA-N 498.923 2.078 10 20 JECD CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250491 GHYBMNHUMPFGTO-UHFFFAOYSA-N 499.467 2.046 10 20 JECD C[C@@H](C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[S@@](=O)c1ccccc1 1845780589 LYQBZAJYZNKIRQ-NLKBSQOQSA-N 470.547 2.216 10 20 JECD CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C(=O)N3CCCC34CN(C(=O)c3cc(O)nc(O)c3)C4)[C@H]2C1 1846135902 YLNBQSUZFYSVMK-NJAFHUGGSA-N 486.569 2.203 10 20 JECD NS(=O)(=O)c1ccc(OCCOC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 19312683 ZIVHHSZKRYJPTB-UHFFFAOYSA-N 451.456 2.345 10 20 JECD Cc1cc(C(=O)OCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c(C)n1-c1ccc(F)cc1 23199757 VYDFLVOFCXGTJL-UHFFFAOYSA-N 491.527 2.416 10 20 JECD CN(C)C(=O)Cn1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 726080905 SNRDDTGAZGZCGD-UHFFFAOYSA-N 454.453 2.148 10 20 JECD NC(=O)[C@H]1CC(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)=NN1c1ccccc1 726565335 CJIRVESDEQZMRL-HXUWFJFHSA-N 457.481 2.493 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N(C)C4CC4)cc3)CC2)cc1 729055909 KJQMEARHWZHYOI-UHFFFAOYSA-N 486.594 2.156 10 20 JECD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2)C[C@@H](C)O1 747557426 MBMASRMCSLVUNP-SBHAEUEKSA-N 493.608 2.257 10 20 JECD COC(=O)c1ccc(N2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)[C@H](C)C2)cc1 749915027 SZXHWWCABNIOTK-LJQANCHMSA-N 484.572 2.276 10 20 JECD CC(C)NS(=O)(=O)c1cccc(CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 918006764 NBQLXBLJHNRHMB-FQEVSTJZSA-N 487.626 2.074 10 20 JECD COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)CC2)cc1 918461870 PHHMDRAZGVPZNE-QFIPXVFZSA-N 466.538 2.490 10 20 JECD COC(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1 919055582 IWDJFPDQEMLYOU-HUUCEWRRSA-N 459.474 2.094 10 20 JECD COCCn1cc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1=O 919576992 MNSPALYXTCBACJ-UHFFFAOYSA-N 460.442 2.066 10 20 JECD CCOc1ccccc1C(=O)NCC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 919761613 MVOHWOOXJUOWCI-UHFFFAOYSA-N 492.555 2.387 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCCC1)C2)c1cc(O)c(O)c(Cl)c1 1781123570 YAXTXHFIGQDVKC-AUSIDOKSSA-N 465.978 2.365 10 20 JECD Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)cc1 1781752407 NCPOSXAUUDOBGK-RLWLMLJZSA-N 464.566 2.064 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3ccnn3c1)C2 1783221943 UQDDLAQKTNIAMI-WNGUJASGSA-N 492.532 2.292 10 20 JECD CN(C)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NN(c5ccccc5)C(=O)C4)[C@H]3C2)cc1 1787540384 XPSVFYWDDLZBSF-APTRMMRNSA-N 489.576 2.139 10 20 JECD O=C(CCc1noc(-c2ccccc2)n1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796604395 AVWDIEWVEUHWDU-BCDXTJNWSA-N 463.494 2.427 10 20 JECD CCn1nccc1C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1 1805920352 WNARHWFLLDEZSH-LFXIQIKPSA-N 477.521 2.448 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)[C@@H]1c1cccnc1)c1cnc(O)[nH]1 1810951557 QKZPFQPEBTUNBY-SJKOYZFVSA-N 457.874 2.208 10 20 JECD CCOC(=O)C1(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)CC1 1812468861 LEBZGZFKXUNCOA-RQCLJNFQSA-N 495.532 2.261 10 20 JECD Cc1nc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)[nH]n2)no1 1815870627 IWYHSDONCKSCSY-GOSISDBHSA-N 476.497 2.129 10 20 JECD Cn1ccc(=O)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1 1820167862 WMZCGARMYQGITC-FQEVSTJZSA-N 487.520 2.207 10 20 JECD O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3CC[C@H](O)CC3)sc2C1)C1=NN(c2ccccc2)C(=O)C1 1826339885 MTAKQSGXZRIAKJ-ZOBUZTSGSA-N 481.578 2.399 10 20 JECD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc[nH]2)CC1 1827111998 IAEHEBJOLBECHW-GOSISDBHSA-N 462.641 2.427 10 20 JECD O=C(c1nccc2nc[nH]c12)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827425877 BUNBNNNCXWDQIT-QGZVFWFLSA-N 450.499 2.311 10 20 JECD CC(=O)N/C(C)=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832878255 HRHHFWURSDDGSF-VISRBYEJSA-N 471.554 2.476 10 20 JECD CSc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839433750 SCSGWIKJCIOFCA-QFIPXVFZSA-N 493.969 2.252 10 20 JECD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1839434125 OXESQLOGZIIMPN-QHCPKHFHSA-N 491.928 2.002 10 20 JECD CC(C)OCC(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1841127856 DXANPCBDZSKCQQ-GOSISDBHSA-N 491.585 2.162 10 20 JECD CC[C@H](C)[C@@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C)C2 1841632676 SZAJMHKCTGVUNP-IOMROCGXSA-N 488.629 2.315 10 20 JECD CN(C)c1ccc(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 15134739 DQNNJYOUJZYKFU-UHFFFAOYSA-N 493.029 2.336 10 20 JECD COC(=O)COc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c(C)c1 726728326 QPKPVMRMKHMQOX-UHFFFAOYSA-N 455.511 2.279 10 20 JECD CCCN1Cc2cccc(NC(=O)C(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)c2C1 727616724 YWKRSGDBCSMOOI-UHFFFAOYSA-N 465.598 2.298 10 20 JECD C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 742361439 ANMNFEVTTPCCQR-INIZCTEOSA-N 458.538 2.472 10 20 JECD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc3c(c2)CCCN3C)c1 746889023 ILPZKQSPDNHOGL-UHFFFAOYSA-N 472.611 2.146 10 20 JECD CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cc21 746989440 HSKQXLBVFWPERJ-UHFFFAOYSA-N 451.527 2.011 10 20 JECD COc1ccc(-c2csc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)n2)cc1OC 817943598 PFDLTUBYZMJVHV-UHFFFAOYSA-N 455.539 2.276 10 20 JECD COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)CC1 822953861 PPTZLTZVJIODCS-CYBMUJFWSA-N 494.456 2.327 10 20 JECD C[C@H]1CN(c2ccc(CNC(=O)CSc3nnc(-c4ccco4)n3N)cc2F)C[C@@H](C)O1 917157971 DSHLXPZWNMXBSD-OKILXGFUSA-N 460.535 2.413 10 20 JECD CNS(=O)(=O)c1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 918199541 GKLDEPBWCVYZOY-KBPBESRZSA-N 470.592 2.408 10 20 JECD Cc1c(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 918297937 VMZNIKYSXUIYFX-HXUWFJFHSA-N 464.522 2.336 10 20 JECD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)C1 918463015 GOCOIXHBAGJTBT-FQEVSTJZSA-N 491.592 2.269 10 20 JECD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccc(N3CCOCC3)cc2)c(OC)c1 919766048 XARUYDOBBHBHTR-QFIPXVFZSA-N 453.539 2.461 10 20 JECD O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCc2c(ncn2-c2ccccc2)C1 929083503 FJOROVZWNOHRPN-UHFFFAOYSA-N 465.579 2.375 10 20 JECD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782001792 CTKBDAPSQOPICW-JOCHJYFZSA-N 475.885 2.346 10 20 JECD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2)[C@H]1C[C@H]1c1ccccc1 1782129946 ZPZDGAWGNQOISL-UVPKRVSESA-N 451.523 2.424 10 20 JECD Cc1noc(C)c1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783218435 ORKFFSBIGFJISX-OOSRFHLNSA-N 485.537 2.178 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cn3cc(Cl)ccc3n1)CCO2 1785505470 JKRSDAUMWIQNJB-JGZGHEEISA-N 498.923 2.261 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3cc(Cl)ccc13)CCO2 1785505946 UNKJSKMHXADCSO-NCWHABTQSA-N 498.923 2.490 10 20 JECD Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)ccc2c1OCCO2 1785508843 KLNNEIPZJQTOQT-UGRMLPBFSA-N 496.516 2.040 10 20 JECD COC(=O)[C@H]1CCC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1796935041 QHKTZXZVOBNTKU-RDIJVOARSA-N 480.565 2.397 10 20 JECD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1Cl)C2)c1cc(O)c(O)c(Cl)c1 1799766917 HJCDUUYIMBCANO-DRXBFXEBSA-N 452.294 2.317 10 20 JECD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2ccc(O)c(O)c2O)c(C)c1 1802080149 BUYZAMRHMOBSNM-APSJEEFESA-N 452.507 2.337 10 20 JECD O=C(NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1c1cccnc1)c1cnco1 1803857900 BBJPZVJDJLAYHE-HTAPYJJXSA-N 458.478 2.182 10 20 JECD CC(C)(C)n1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n1 1807991188 NLGGJVWDQHNKNY-KKSFZXQISA-N 464.526 2.473 10 20 JECD C[C@H](C(=O)N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@H]1c1cccnc1)n1ccnc1 1808463181 AEAKDGPNHMMRCU-DRMXPCRNSA-N 485.548 2.338 10 20 JECD O=C(Nc1cccnc1)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)c(O)c(Cl)c2)[C@H]1c1cccnc1 1811805861 FARYXXXOBQMJKE-MGPUTAFESA-N 495.923 2.500 10 20 JECD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1)C1CCC2(CC1)OCCO2 1812482800 AEHZUNAMSIGBSK-GCJKJVERSA-N 482.537 2.141 10 20 JECD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@@H]2c2cccnc2)n(C)n1 1814163127 ZLZGOIDMWNZFIP-LFXIQIKPSA-N 477.521 2.273 10 20 JECD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)CCCc2cccnc2)[C@@H]1c1cccnc1 1814192889 YBVLEOKCPSPTTQ-AUSIDOKSSA-N 497.646 2.366 10 20 JECD O=C1CSC(=S)N1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(F)(F)C(F)F)n[nH]1 1815544842 ZCTOAHWYQQOZNZ-SECBINFHSA-N 467.470 2.163 10 20 JECD CC(=O)N(C)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)[nH]n1 1815585145 BFUHQHBOQYWHOQ-LKUPDRCFSA-N 471.514 2.100 10 20 JECD CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362792 VZEOWANKGNBIGI-LRDNONRASA-N 468.583 2.221 10 20 JECD COC(=O)c1ccc(OCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)nc(O)c3)n[nH]2)cc1 1817848844 GDKTYHVTQSYJHP-GOSISDBHSA-N 495.492 2.387 10 20 JECD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1)c1cccc(N2CCOCC2)n1 1818281651 PWWGUOXHFJPKLS-GOSISDBHSA-N 493.524 2.067 10 20 JECD C[C@@H](Nc1ccccn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1820210258 QYHDEAIBRWLIFU-YPMHNXCESA-N 454.512 2.071 10 20 JECD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)[nH]n1)[C@@H]1[C@H]2COC[C@H]21 1823058025 ATOMMDOXCBNLPW-CHOVKTHHSA-N 462.510 2.087 10 20 JECD O=C(CCn1cncn1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)c(O)c(Cl)c3)sc2C1 1823713175 GSGBLMPGQVBBFG-LLVKDONJSA-N 462.919 2.115 10 20 JECD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cc4ccoc4cn3)sc2C1 1823886933 IQVBWLKEQHMSLW-LLVKDONJSA-N 487.588 2.370 10 20 JECD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1827981999 BIYSGHMIISVUAL-CHWSQXEVSA-N 491.570 2.478 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3c[nH]nc13)CC2 1828242906 VVJBRAZBHNEZJZ-LLVKDONJSA-N 486.604 2.106 10 20 JECD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)C1CCSCC1)CC2 1828250012 NBNQLRDTLIVEKB-LLVKDONJSA-N 470.667 2.059 10 20 JECD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1)n1cncn1 1832882862 TYHBEOFRALLVOA-CGLHPVKESA-N 469.542 2.289 10 20 JECD O=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1)c1ccccc1 1832898204 GAEIRGYYJVXGLV-SFHVURJKSA-N 473.620 2.349 10 20 JECD CCc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)n[nH]1 1832902529 PNVRVLAYAUNSJI-QGZVFWFLSA-N 463.629 2.066 10 20 JECD O=C(NC1CCN(C2CCN(C(=O)COC3CCCCC3)CC2)CC1)c1cc(O)nc(O)c1 1834985322 IWURXHAUUBTHRV-UHFFFAOYSA-N 460.575 2.027 10 20 JECD CNc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)c4)CC3)CC2)cc1 1834986977 OMLDAXOLUJIABT-UHFFFAOYSA-N 453.543 2.034 10 20 JECD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)CC2)CC1)n1cccn1 1838809989 NENQQPQJDCSNLZ-YXMMZVCTSA-N 484.553 2.273 10 20 JECD O=C(c1ccnc(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839431822 OMQAMRULIXAJCV-OAQYLSRUSA-N 482.320 2.183 10 20 JECD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C3CC3)cc1)CCO2 1839441322 OQQRIKJLGDGBQD-XATMQCHFSA-N 494.544 2.464 10 20 JECD O=C(Cc1ccc(F)cc1F)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1839979689 CCYWBZDZVIPPJO-HSZRJFAPSA-N 496.894 2.342 10 20 JECD CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1847039356 JQDJDXCOCHUDRO-JKNJVXJCSA-N 499.564 2.277 10 20 JECD O=C(c1cc(O)nc(O)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)ncc1Cl 1848276768 TUWNHBZKSAJECZ-STQMWFEESA-N 467.707 2.433 10 20 JECD